----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:25:49]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.606658050008844 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): *1 Na 0.57937417249130 0.18442986767531 0.60452227232729 22.990 2 Na 0.42062582750870 0.68442986767531 0.89547772767271 22.990 *3 Na 0.58396788656492 0.44049195713886 0.39080075190808 22.990 *4 Na 0.17511292566628 0.26756398280264 0.65644045592550 22.990 5 Na 0.41603211343508 0.55950804286114 0.60919924809192 22.990 6 Na 0.57937417249130 0.31557013232469 0.10452227232729 22.990 7 Na 0.82488707433372 0.73243601719736 0.34355954407450 22.990 8 Na 0.42062582750870 0.81557013232469 0.39547772767271 22.990 9 Na 0.82488707433372 0.76756398280264 0.84355954407450 22.990 10 Na 0.41603211343508 0.94049195713886 0.10919924809192 22.990 11 Na 0.58396788656492 0.05950804286114 0.89080075190808 22.990 12 Na 0.17511292566628 0.23243601719736 0.15644045592550 22.990 *13 Nd 0.98791373957883 0.88516384281852 0.64458106021791 144.242 14 Nd 0.98791373957883 0.61483615718148 0.14458106021791 144.242 15 Nd 0.01208626042117 0.11483615718148 0.35541893978209 144.242 16 Nd 0.01208626042117 0.38516384281852 0.85541893978209 144.242 *17 B 0.13314924633302 0.43077849031115 0.37435160408965 10.811 *18 B 0.41727781848055 0.89861500960376 0.63759478968302 10.811 19 B 0.86685075366698 0.93077849031115 0.12564839591035 10.811 20 B 0.13314924633302 0.06922150968885 0.87435160408965 10.811 21 B 0.41727781848055 0.60138499039624 0.13759478968302 10.811 22 B 0.58272218151945 0.39861500960376 0.86240521031698 10.811 23 B 0.86685075366698 0.56922150968885 0.62564839591035 10.811 24 B 0.58272218151945 0.10138499039624 0.36240521031698 10.811 *25 O 0.37600855572943 0.78257857865962 0.70163756440386 15.999 *26 O 0.61566202132114 0.89739625581359 0.62917147987814 15.999 *27 O 0.18480924909787 0.34644907614762 0.48329405292400 15.999 *28 O 0.78817908952362 0.07920950897155 0.11757868634014 15.999 29 O 0.38433797867886 0.39739625581359 0.87082852012186 15.999 30 O 0.61566202132114 0.60260374418641 0.12917147987814 15.999 31 O 0.78817908952362 0.42079049102845 0.61757868634014 15.999 *32 O 0.99521769240962 0.86247138060465 0.25003572745971 15.999 33 O 0.99521769240962 0.63752861939535 0.75003572745971 15.999 *34 O 0.25034714864497 0.48099174453776 0.08597902620435 15.999 35 O 0.00478230759038 0.36247138060465 0.24996427254029 15.999 36 O 0.21182091047638 0.57920950897155 0.38242131365986 15.999 37 O 0.38433797867886 0.10260374418641 0.37082852012186 15.999 38 O 0.18480924909787 0.15355092385238 0.98329405292400 15.999 39 O 0.00478230759038 0.13752861939535 0.74996427254029 15.999 40 O 0.62399144427057 0.21742142134038 0.29836243559614 15.999 41 O 0.81519075090213 0.84644907614761 0.01670594707600 15.999 42 O 0.21182091047638 0.92079049102845 0.88242131365986 15.999 43 O 0.74965285135503 0.98099174453776 0.41402097379565 15.999 44 O 0.74965285135503 0.51900825546224 0.91402097379565 15.999 45 O 0.62399144427057 0.28257857865962 0.79836243559614 15.999 46 O 0.25034714864497 0.01900825546224 0.58597902620435 15.999 47 O 0.37600855572943 0.71742142134038 0.20163756440386 15.999 48 O 0.81519075090213 0.65355092385239 0.51670594707600 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.606658050008844 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): *1 Na 0.57937417249130 0.18442986767531 0.60452227232729 22.990 > 1 2 Na 0.42062582750870 0.68442986767531 0.89547772767271 22.990 > 2 *3 Na 0.58396788656492 0.44049195713886 0.39080075190808 22.990 > 3 *4 Na 0.17511292566628 0.26756398280264 0.65644045592550 22.990 > 4 5 Na 0.41603211343508 0.55950804286114 0.60919924809192 22.990 > 5 6 Na 0.57937417249130 0.31557013232469 0.10452227232729 22.990 > 6 7 Na 0.82488707433372 0.73243601719736 0.34355954407450 22.990 > 7 8 Na 0.42062582750870 0.81557013232469 0.39547772767271 22.990 > 8 9 Na 0.82488707433372 0.76756398280264 0.84355954407450 22.990 > 9 10 Na 0.41603211343508 0.94049195713886 0.10919924809192 22.990 > 10 11 Na 0.58396788656492 0.05950804286114 0.89080075190808 22.990 > 11 12 Na 0.17511292566628 0.23243601719736 0.15644045592550 22.990 > 12 *13 Nd 0.98791373957883 0.88516384281852 0.64458106021791 144.242 > 13 14 Nd 0.98791373957883 0.61483615718148 0.14458106021791 144.242 > 14 15 Nd 0.01208626042117 0.11483615718148 0.35541893978209 144.242 > 15 16 Nd 0.01208626042117 0.38516384281852 0.85541893978209 144.242 > 16 *17 B 0.13314924633302 0.43077849031115 0.37435160408965 10.811 > 17 *18 B 0.41727781848055 0.89861500960376 0.63759478968302 10.811 > 18 19 B 0.86685075366698 0.93077849031115 0.12564839591035 10.811 > 19 20 B 0.13314924633302 0.06922150968885 0.87435160408965 10.811 > 20 21 B 0.41727781848055 0.60138499039624 0.13759478968302 10.811 > 21 22 B 0.58272218151945 0.39861500960376 0.86240521031698 10.811 > 22 23 B 0.86685075366698 0.56922150968885 0.62564839591035 10.811 > 23 24 B 0.58272218151945 0.10138499039624 0.36240521031698 10.811 > 24 *25 O 0.37600855572943 0.78257857865962 0.70163756440386 15.999 > 25 *26 O 0.61566202132114 0.89739625581359 0.62917147987814 15.999 > 26 *27 O 0.18480924909787 0.34644907614762 0.48329405292400 15.999 > 27 *28 O 0.78817908952362 0.07920950897155 0.11757868634014 15.999 > 28 29 O 0.38433797867886 0.39739625581359 0.87082852012186 15.999 > 29 30 O 0.61566202132114 0.60260374418641 0.12917147987814 15.999 > 30 31 O 0.78817908952362 0.42079049102845 0.61757868634014 15.999 > 31 *32 O 0.99521769240962 0.86247138060465 0.25003572745971 15.999 > 32 33 O 0.99521769240962 0.63752861939535 0.75003572745971 15.999 > 33 *34 O 0.25034714864497 0.48099174453776 0.08597902620435 15.999 > 34 35 O 0.00478230759038 0.36247138060465 0.24996427254029 15.999 > 35 36 O 0.21182091047638 0.57920950897155 0.38242131365986 15.999 > 36 37 O 0.38433797867886 0.10260374418641 0.37082852012186 15.999 > 37 38 O 0.18480924909787 0.15355092385238 0.98329405292400 15.999 > 38 39 O 0.00478230759038 0.13752861939535 0.74996427254029 15.999 > 39 40 O 0.62399144427057 0.21742142134038 0.29836243559614 15.999 > 40 41 O 0.81519075090213 0.84644907614761 0.01670594707600 15.999 > 41 42 O 0.21182091047638 0.92079049102845 0.88242131365986 15.999 > 42 43 O 0.74965285135503 0.98099174453776 0.41402097379565 15.999 > 43 44 O 0.74965285135503 0.51900825546224 0.91402097379565 15.999 > 44 45 O 0.62399144427057 0.28257857865962 0.79836243559614 15.999 > 45 46 O 0.25034714864497 0.01900825546224 0.58597902620435 15.999 > 46 47 O 0.37600855572943 0.71742142134038 0.20163756440386 15.999 > 47 48 O 0.81519075090213 0.65355092385239 0.51670594707600 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.213316100017687 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): *1 Na 0.28968708624565 0.18442986767531 0.60452227232729 22.990 > 1 2 Na 0.78968708624565 0.18442986767531 0.60452227232729 22.990 > 1 3 Na 0.21031291375435 0.68442986767531 0.89547772767271 22.990 > 2 4 Na 0.71031291375435 0.68442986767531 0.89547772767271 22.990 > 2 *5 Na 0.29198394328246 0.44049195713886 0.39080075190808 22.990 > 3 6 Na 0.79198394328246 0.44049195713886 0.39080075190808 22.990 > 3 *7 Na 0.08755646283314 0.26756398280264 0.65644045592550 22.990 > 4 8 Na 0.58755646283314 0.26756398280264 0.65644045592550 22.990 > 4 9 Na 0.20801605671754 0.55950804286114 0.60919924809192 22.990 > 5 10 Na 0.70801605671754 0.55950804286114 0.60919924809192 22.990 > 5 11 Na 0.28968708624565 0.31557013232469 0.10452227232729 22.990 > 6 12 Na 0.78968708624565 0.31557013232469 0.10452227232729 22.990 > 6 13 Na 0.41244353716686 0.73243601719736 0.34355954407450 22.990 > 7 14 Na 0.91244353716686 0.73243601719736 0.34355954407450 22.990 > 7 15 Na 0.21031291375435 0.81557013232469 0.39547772767271 22.990 > 8 16 Na 0.71031291375435 0.81557013232469 0.39547772767271 22.990 > 8 17 Na 0.41244353716686 0.76756398280264 0.84355954407450 22.990 > 9 18 Na 0.91244353716686 0.76756398280264 0.84355954407450 22.990 > 9 19 Na 0.20801605671754 0.94049195713886 0.10919924809192 22.990 > 10 20 Na 0.70801605671754 0.94049195713886 0.10919924809192 22.990 > 10 21 Na 0.29198394328246 0.05950804286114 0.89080075190808 22.990 > 11 22 Na 0.79198394328246 0.05950804286114 0.89080075190808 22.990 > 11 23 Na 0.08755646283314 0.23243601719736 0.15644045592550 22.990 > 12 24 Na 0.58755646283314 0.23243601719736 0.15644045592550 22.990 > 12 *25 Nd 0.49395686978942 0.88516384281852 0.64458106021791 144.242 > 13 26 Nd 0.99395686978942 0.88516384281852 0.64458106021791 144.242 > 13 27 Nd 0.49395686978942 0.61483615718148 0.14458106021791 144.242 > 14 28 Nd 0.99395686978942 0.61483615718148 0.14458106021791 144.242 > 14 29 Nd 0.00604313021058 0.11483615718148 0.35541893978209 144.242 > 15 30 Nd 0.50604313021058 0.11483615718148 0.35541893978209 144.242 > 15 31 Nd 0.00604313021058 0.38516384281852 0.85541893978209 144.242 > 16 32 Nd 0.50604313021058 0.38516384281852 0.85541893978209 144.242 > 16 *33 B 0.06657462316651 0.43077849031115 0.37435160408965 10.811 > 17 34 B 0.56657462316651 0.43077849031115 0.37435160408965 10.811 > 17 *35 B 0.20863890924028 0.89861500960376 0.63759478968302 10.811 > 18 36 B 0.70863890924027 0.89861500960376 0.63759478968302 10.811 > 18 37 B 0.43342537683349 0.93077849031115 0.12564839591035 10.811 > 19 38 B 0.93342537683349 0.93077849031115 0.12564839591035 10.811 > 19 39 B 0.06657462316651 0.06922150968885 0.87435160408965 10.811 > 20 40 B 0.56657462316651 0.06922150968885 0.87435160408965 10.811 > 20 41 B 0.20863890924028 0.60138499039624 0.13759478968302 10.811 > 21 42 B 0.70863890924027 0.60138499039624 0.13759478968302 10.811 > 21 43 B 0.29136109075972 0.39861500960376 0.86240521031698 10.811 > 22 44 B 0.79136109075973 0.39861500960376 0.86240521031698 10.811 > 22 45 B 0.43342537683349 0.56922150968885 0.62564839591035 10.811 > 23 46 B 0.93342537683349 0.56922150968885 0.62564839591035 10.811 > 23 47 B 0.29136109075972 0.10138499039624 0.36240521031698 10.811 > 24 48 B 0.79136109075973 0.10138499039624 0.36240521031698 10.811 > 24 *49 O 0.18800427786471 0.78257857865962 0.70163756440386 15.999 > 25 50 O 0.68800427786471 0.78257857865962 0.70163756440386 15.999 > 25 *51 O 0.30783101066057 0.89739625581359 0.62917147987814 15.999 > 26 52 O 0.80783101066057 0.89739625581359 0.62917147987814 15.999 > 26 *53 O 0.09240462454894 0.34644907614762 0.48329405292400 15.999 > 27 54 O 0.59240462454894 0.34644907614762 0.48329405292400 15.999 > 27 *55 O 0.39408954476181 0.07920950897155 0.11757868634014 15.999 > 28 56 O 0.89408954476181 0.07920950897155 0.11757868634014 15.999 > 28 57 O 0.19216898933943 0.39739625581359 0.87082852012186 15.999 > 29 58 O 0.69216898933943 0.39739625581359 0.87082852012186 15.999 > 29 59 O 0.30783101066057 0.60260374418641 0.12917147987814 15.999 > 30 60 O 0.80783101066057 0.60260374418641 0.12917147987814 15.999 > 30 61 O 0.39408954476181 0.42079049102845 0.61757868634014 15.999 > 31 62 O 0.89408954476181 0.42079049102845 0.61757868634014 15.999 > 31 *63 O 0.49760884620481 0.86247138060465 0.25003572745971 15.999 > 32 64 O 0.99760884620481 0.86247138060465 0.25003572745971 15.999 > 32 65 O 0.49760884620481 0.63752861939535 0.75003572745971 15.999 > 33 66 O 0.99760884620481 0.63752861939535 0.75003572745971 15.999 > 33 *67 O 0.12517357432248 0.48099174453776 0.08597902620435 15.999 > 34 68 O 0.62517357432248 0.48099174453776 0.08597902620435 15.999 > 34 69 O 0.00239115379519 0.36247138060465 0.24996427254029 15.999 > 35 70 O 0.50239115379519 0.36247138060465 0.24996427254029 15.999 > 35 71 O 0.10591045523819 0.57920950897155 0.38242131365986 15.999 > 36 72 O 0.60591045523819 0.57920950897155 0.38242131365986 15.999 > 36 73 O 0.19216898933943 0.10260374418641 0.37082852012186 15.999 > 37 74 O 0.69216898933943 0.10260374418641 0.37082852012186 15.999 > 37 75 O 0.09240462454894 0.15355092385238 0.98329405292400 15.999 > 38 76 O 0.59240462454894 0.15355092385238 0.98329405292400 15.999 > 38 77 O 0.00239115379519 0.13752861939535 0.74996427254029 15.999 > 39 78 O 0.50239115379519 0.13752861939535 0.74996427254029 15.999 > 39 79 O 0.31199572213528 0.21742142134038 0.29836243559614 15.999 > 40 80 O 0.81199572213528 0.21742142134038 0.29836243559614 15.999 > 40 81 O 0.40759537545106 0.84644907614761 0.01670594707600 15.999 > 41 82 O 0.90759537545106 0.84644907614761 0.01670594707600 15.999 > 41 83 O 0.10591045523819 0.92079049102845 0.88242131365986 15.999 > 42 84 O 0.60591045523819 0.92079049102845 0.88242131365986 15.999 > 42 85 O 0.37482642567752 0.98099174453776 0.41402097379565 15.999 > 43 86 O 0.87482642567752 0.98099174453776 0.41402097379565 15.999 > 43 87 O 0.37482642567752 0.51900825546224 0.91402097379565 15.999 > 44 88 O 0.87482642567752 0.51900825546224 0.91402097379565 15.999 > 44 89 O 0.31199572213528 0.28257857865962 0.79836243559614 15.999 > 45 90 O 0.81199572213528 0.28257857865962 0.79836243559614 15.999 > 45 91 O 0.12517357432248 0.01900825546224 0.58597902620435 15.999 > 46 92 O 0.62517357432248 0.01900825546224 0.58597902620435 15.999 > 46 93 O 0.18800427786471 0.71742142134038 0.20163756440386 15.999 > 47 94 O 0.68800427786471 0.71742142134038 0.20163756440386 15.999 > 47 95 O 0.40759537545106 0.65355092385239 0.51670594707600 15.999 > 48 96 O 0.90759537545106 0.65355092385239 0.51670594707600 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9896796 0.0000000 -0.0384978 0.0000000 2.9546621 0.0000000 -0.0385004 0.0000000 2.8259541 -------------------------- Born effective charges -------------------------- 1 Na 1.0278653 0.0442190 0.0445347 0.0223025 1.1422544 0.0916309 0.1270011 0.0567780 1.1319787 2 Na 1.0278653 -0.0442190 0.0445347 -0.0223025 1.1422544 -0.0916309 0.1270011 -0.0567780 1.1319787 3 Na 1.0881485 -0.0410308 0.0284553 -0.0008055 1.0874626 0.0627282 0.0572059 0.0100128 1.1585302 4 Na 1.0651351 -0.0282468 -0.0371195 -0.0401894 1.0516020 0.0719347 -0.0946619 0.0331456 1.1175661 5 Na 1.0881485 -0.0410308 0.0284553 -0.0008055 1.0874626 0.0627282 0.0572059 0.0100128 1.1585302 6 Na 1.0278653 -0.0442190 0.0445347 -0.0223025 1.1422544 -0.0916309 0.1270011 -0.0567780 1.1319787 7 Na 1.0651351 -0.0282468 -0.0371195 -0.0401894 1.0516020 0.0719347 -0.0946619 0.0331456 1.1175661 8 Na 1.0278653 0.0442190 0.0445347 0.0223025 1.1422544 0.0916309 0.1270011 0.0567780 1.1319787 9 Na 1.0651351 0.0282468 -0.0371195 0.0401894 1.0516020 -0.0719347 -0.0946619 -0.0331456 1.1175661 10 Na 1.0881485 0.0410308 0.0284553 0.0008055 1.0874626 -0.0627282 0.0572059 -0.0100128 1.1585302 11 Na 1.0881485 0.0410308 0.0284553 0.0008055 1.0874626 -0.0627282 0.0572059 -0.0100128 1.1585302 12 Na 1.0651351 0.0282468 -0.0371195 0.0401894 1.0516020 -0.0719347 -0.0946619 -0.0331456 1.1175661 13 Nd 4.1392009 0.1744253 -0.0094378 0.1852443 3.6324527 0.1981968 -0.1182647 0.1102169 3.4482110 14 Nd 4.1392009 -0.1744253 -0.0094378 -0.1852443 3.6324527 -0.1981968 -0.1182647 -0.1102169 3.4482110 15 Nd 4.1392009 0.1744253 -0.0094378 0.1852443 3.6324527 0.1981968 -0.1182647 0.1102169 3.4482110 16 Nd 4.1392009 -0.1744253 -0.0094378 -0.1852443 3.6324527 -0.1981968 -0.1182647 -0.1102169 3.4482110 17 B 0.5477924 0.6349573 -0.2255584 0.7351459 2.3557202 -0.2519577 -0.2783889 -0.2461003 2.0190222 18 B 3.1654541 -0.0155899 -0.2404248 -0.1432173 1.7294091 -0.8357356 0.0613551 -0.9814440 0.8104744 19 B 0.5477924 -0.6349573 -0.2255584 -0.7351459 2.3557202 0.2519577 -0.2783889 0.2461003 2.0190222 20 B 0.5477924 -0.6349573 -0.2255584 -0.7351459 2.3557202 0.2519577 -0.2783889 0.2461003 2.0190222 21 B 3.1654541 0.0155899 -0.2404248 0.1432173 1.7294091 0.8357356 0.0613551 0.9814440 0.8104744 22 B 3.1654541 0.0155899 -0.2404248 0.1432173 1.7294091 0.8357356 0.0613551 0.9814440 0.8104744 23 B 0.5477924 0.6349573 -0.2255584 0.7351459 2.3557202 -0.2519577 -0.2783889 -0.2461003 2.0190222 24 B 3.1654541 -0.0155899 -0.2404248 -0.1432173 1.7294091 -0.8357356 0.0613551 -0.9814440 0.8104744 25 O -2.2263713 -0.2360344 0.1758831 -0.1355019 -1.6487869 0.4333700 0.1103120 0.5096108 -1.2582628 26 O -3.5111568 0.0444493 0.0709959 0.0850618 -1.1431190 0.0674090 -0.1193817 0.0871508 -1.0334819 27 O -1.0722850 -0.2601105 0.2131027 -0.3546888 -2.0595970 0.2120929 0.2130571 0.2246279 -2.0028899 28 O -1.1330877 0.3600297 -0.0114023 0.4202599 -2.1540707 -0.1218762 0.0059544 -0.1727835 -1.7075482 29 O -3.5111568 -0.0444493 0.0709959 -0.0850618 -1.1431190 -0.0674090 -0.1193817 -0.0871508 -1.0334819 30 O -3.5111568 -0.0444493 0.0709959 -0.0850618 -1.1431190 -0.0674090 -0.1193817 -0.0871508 -1.0334819 31 O -1.1330877 -0.3600297 -0.0114023 -0.4202599 -2.1540707 0.1218762 0.0059544 0.1727835 -1.7075482 32 O -1.0191483 0.2459724 0.0769044 0.3781488 -2.2495307 -0.1891864 0.1358875 -0.1419203 -1.9075171 33 O -1.0191483 -0.2459724 0.0769044 -0.3781488 -2.2495307 0.1891864 0.1358875 0.1419203 -1.9075171 34 O -2.0715473 -0.1934625 -0.0859333 -0.1610314 -1.7437967 -0.6577539 -0.1000758 -0.6910812 -1.7760827 35 O -1.0191483 -0.2459724 0.0769044 -0.3781488 -2.2495307 0.1891864 0.1358875 0.1419203 -1.9075171 36 O -1.1330877 -0.3600297 -0.0114023 -0.4202599 -2.1540707 0.1218762 0.0059544 0.1727835 -1.7075482 37 O -3.5111568 0.0444493 0.0709959 0.0850618 -1.1431190 0.0674090 -0.1193817 0.0871508 -1.0334819 38 O -1.0722850 0.2601105 0.2131027 0.3546888 -2.0595970 -0.2120929 0.2130571 -0.2246279 -2.0028899 39 O -1.0191483 0.2459724 0.0769044 0.3781488 -2.2495307 -0.1891864 0.1358875 -0.1419203 -1.9075171 40 O -2.2263713 -0.2360344 0.1758831 -0.1355019 -1.6487869 0.4333700 0.1103120 0.5096108 -1.2582628 41 O -1.0722850 0.2601105 0.2131027 0.3546888 -2.0595970 -0.2120929 0.2130571 -0.2246279 -2.0028899 42 O -1.1330877 0.3600297 -0.0114023 0.4202599 -2.1540707 -0.1218762 0.0059544 -0.1727835 -1.7075482 43 O -2.0715473 0.1934625 -0.0859333 0.1610314 -1.7437967 0.6577539 -0.1000758 0.6910812 -1.7760827 44 O -2.0715473 -0.1934625 -0.0859333 -0.1610314 -1.7437967 -0.6577539 -0.1000758 -0.6910812 -1.7760827 45 O -2.2263713 0.2360344 0.1758831 0.1355019 -1.6487869 -0.4333700 0.1103120 -0.5096108 -1.2582628 46 O -2.0715473 0.1934625 -0.0859333 0.1610314 -1.7437967 0.6577539 -0.1000758 0.6910812 -1.7760827 47 O -2.2263713 0.2360344 0.1758831 0.1355019 -1.6487869 -0.4333700 0.1103120 -0.5096108 -1.2582628 48 O -1.0722850 -0.2601105 0.2131027 -0.3546888 -2.0595970 0.2120929 0.2130571 0.2246279 -2.0028899 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.313 Solver_block: 200 / 1440 - Time: 1.079 Solver_block: 300 / 1440 - Time: 1.090 Solver_block: 400 / 1440 - Time: 1.098 Solver_block: 500 / 1440 - Time: 1.098 Solver_block: 600 / 1440 - Time: 1.093 Solver_block: 700 / 1440 - Time: 1.083 Solver_block: 800 / 1440 - Time: 1.087 Solver_block: 900 / 1440 - Time: 1.079 Solver_block: 1000 / 1440 - Time: 1.103 Solver_block: 1100 / 1440 - Time: 1.095 Solver_block: 1200 / 1440 - Time: 1.107 Solver_block: 1300 / 1440 - Time: 1.088 Solver_block: 1400 / 1440 - Time: 1.083 Solver_block: 1440 / 1440 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.454 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:26:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:26:58]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.606658050008844 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): 1 Na 0.57937417249130 0.18442986767531 0.60452227232729 22.990 2 Na 0.42062582750870 0.68442986767531 0.89547772767271 22.990 3 Na 0.58396788656492 0.44049195713886 0.39080075190808 22.990 4 Na 0.17511292566628 0.26756398280264 0.65644045592550 22.990 5 Na 0.41603211343508 0.55950804286114 0.60919924809192 22.990 6 Na 0.57937417249130 0.31557013232469 0.10452227232729 22.990 7 Na 0.82488707433372 0.73243601719736 0.34355954407450 22.990 8 Na 0.42062582750870 0.81557013232469 0.39547772767271 22.990 9 Na 0.82488707433372 0.76756398280264 0.84355954407450 22.990 10 Na 0.41603211343508 0.94049195713886 0.10919924809192 22.990 11 Na 0.58396788656492 0.05950804286114 0.89080075190808 22.990 12 Na 0.17511292566628 0.23243601719736 0.15644045592550 22.990 13 Nd 0.98791373957883 0.88516384281852 0.64458106021791 144.242 14 Nd 0.98791373957883 0.61483615718148 0.14458106021791 144.242 15 Nd 0.01208626042117 0.11483615718148 0.35541893978209 144.242 16 Nd 0.01208626042117 0.38516384281852 0.85541893978209 144.242 17 B 0.13314924633302 0.43077849031115 0.37435160408965 10.811 18 B 0.41727781848055 0.89861500960376 0.63759478968302 10.811 19 B 0.86685075366698 0.93077849031115 0.12564839591035 10.811 20 B 0.13314924633302 0.06922150968885 0.87435160408965 10.811 21 B 0.41727781848055 0.60138499039624 0.13759478968302 10.811 22 B 0.58272218151945 0.39861500960376 0.86240521031698 10.811 23 B 0.86685075366698 0.56922150968885 0.62564839591035 10.811 24 B 0.58272218151945 0.10138499039624 0.36240521031698 10.811 25 O 0.37600855572943 0.78257857865962 0.70163756440386 15.999 26 O 0.61566202132114 0.89739625581359 0.62917147987814 15.999 27 O 0.18480924909787 0.34644907614762 0.48329405292400 15.999 28 O 0.78817908952362 0.07920950897155 0.11757868634014 15.999 29 O 0.38433797867886 0.39739625581359 0.87082852012186 15.999 30 O 0.61566202132114 0.60260374418641 0.12917147987814 15.999 31 O 0.78817908952362 0.42079049102845 0.61757868634014 15.999 32 O 0.99521769240962 0.86247138060465 0.25003572745971 15.999 33 O 0.99521769240962 0.63752861939535 0.75003572745971 15.999 34 O 0.25034714864497 0.48099174453776 0.08597902620435 15.999 35 O 0.00478230759038 0.36247138060465 0.24996427254029 15.999 36 O 0.21182091047638 0.57920950897155 0.38242131365986 15.999 37 O 0.38433797867886 0.10260374418641 0.37082852012186 15.999 38 O 0.18480924909787 0.15355092385238 0.98329405292400 15.999 39 O 0.00478230759038 0.13752861939535 0.74996427254029 15.999 40 O 0.62399144427057 0.21742142134038 0.29836243559614 15.999 41 O 0.81519075090213 0.84644907614761 0.01670594707600 15.999 42 O 0.21182091047638 0.92079049102845 0.88242131365986 15.999 43 O 0.74965285135503 0.98099174453776 0.41402097379565 15.999 44 O 0.74965285135503 0.51900825546224 0.91402097379565 15.999 45 O 0.62399144427057 0.28257857865962 0.79836243559614 15.999 46 O 0.25034714864497 0.01900825546224 0.58597902620435 15.999 47 O 0.37600855572943 0.71742142134038 0.20163756440386 15.999 48 O 0.81519075090213 0.65355092385239 0.51670594707600 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.213316100017687 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): 1 Na 0.28968708624565 0.18442986767531 0.60452227232729 22.990 > 1 2 Na 0.78968708624565 0.18442986767531 0.60452227232729 22.990 > 1 3 Na 0.21031291375435 0.68442986767531 0.89547772767271 22.990 > 3 4 Na 0.71031291375435 0.68442986767531 0.89547772767271 22.990 > 3 5 Na 0.29198394328246 0.44049195713886 0.39080075190808 22.990 > 5 6 Na 0.79198394328246 0.44049195713886 0.39080075190808 22.990 > 5 7 Na 0.08755646283314 0.26756398280264 0.65644045592550 22.990 > 7 8 Na 0.58755646283314 0.26756398280264 0.65644045592550 22.990 > 7 9 Na 0.20801605671754 0.55950804286114 0.60919924809192 22.990 > 9 10 Na 0.70801605671754 0.55950804286114 0.60919924809192 22.990 > 9 11 Na 0.28968708624565 0.31557013232469 0.10452227232729 22.990 > 11 12 Na 0.78968708624565 0.31557013232469 0.10452227232729 22.990 > 11 13 Na 0.41244353716686 0.73243601719736 0.34355954407450 22.990 > 13 14 Na 0.91244353716686 0.73243601719736 0.34355954407450 22.990 > 13 15 Na 0.21031291375435 0.81557013232469 0.39547772767271 22.990 > 15 16 Na 0.71031291375435 0.81557013232469 0.39547772767271 22.990 > 15 17 Na 0.41244353716686 0.76756398280264 0.84355954407450 22.990 > 17 18 Na 0.91244353716686 0.76756398280264 0.84355954407450 22.990 > 17 19 Na 0.20801605671754 0.94049195713886 0.10919924809192 22.990 > 19 20 Na 0.70801605671754 0.94049195713886 0.10919924809192 22.990 > 19 21 Na 0.29198394328246 0.05950804286114 0.89080075190808 22.990 > 21 22 Na 0.79198394328246 0.05950804286114 0.89080075190808 22.990 > 21 23 Na 0.08755646283314 0.23243601719736 0.15644045592550 22.990 > 23 24 Na 0.58755646283314 0.23243601719736 0.15644045592550 22.990 > 23 25 Nd 0.49395686978942 0.88516384281852 0.64458106021791 144.242 > 25 26 Nd 0.99395686978942 0.88516384281852 0.64458106021791 144.242 > 25 27 Nd 0.49395686978942 0.61483615718148 0.14458106021791 144.242 > 27 28 Nd 0.99395686978942 0.61483615718148 0.14458106021791 144.242 > 27 29 Nd 0.00604313021058 0.11483615718148 0.35541893978209 144.242 > 29 30 Nd 0.50604313021058 0.11483615718148 0.35541893978209 144.242 > 29 31 Nd 0.00604313021058 0.38516384281852 0.85541893978209 144.242 > 31 32 Nd 0.50604313021058 0.38516384281852 0.85541893978209 144.242 > 31 33 B 0.06657462316651 0.43077849031115 0.37435160408965 10.811 > 33 34 B 0.56657462316651 0.43077849031115 0.37435160408965 10.811 > 33 35 B 0.20863890924028 0.89861500960376 0.63759478968302 10.811 > 35 36 B 0.70863890924027 0.89861500960376 0.63759478968302 10.811 > 35 37 B 0.43342537683349 0.93077849031115 0.12564839591035 10.811 > 37 38 B 0.93342537683349 0.93077849031115 0.12564839591035 10.811 > 37 39 B 0.06657462316651 0.06922150968885 0.87435160408965 10.811 > 39 40 B 0.56657462316651 0.06922150968885 0.87435160408965 10.811 > 39 41 B 0.20863890924028 0.60138499039624 0.13759478968302 10.811 > 41 42 B 0.70863890924027 0.60138499039624 0.13759478968302 10.811 > 41 43 B 0.29136109075972 0.39861500960376 0.86240521031698 10.811 > 43 44 B 0.79136109075973 0.39861500960376 0.86240521031698 10.811 > 43 45 B 0.43342537683349 0.56922150968885 0.62564839591035 10.811 > 45 46 B 0.93342537683349 0.56922150968885 0.62564839591035 10.811 > 45 47 B 0.29136109075972 0.10138499039624 0.36240521031698 10.811 > 47 48 B 0.79136109075973 0.10138499039624 0.36240521031698 10.811 > 47 49 O 0.18800427786471 0.78257857865962 0.70163756440386 15.999 > 49 50 O 0.68800427786471 0.78257857865962 0.70163756440386 15.999 > 49 51 O 0.30783101066057 0.89739625581359 0.62917147987814 15.999 > 51 52 O 0.80783101066057 0.89739625581359 0.62917147987814 15.999 > 51 53 O 0.09240462454894 0.34644907614762 0.48329405292400 15.999 > 53 54 O 0.59240462454894 0.34644907614762 0.48329405292400 15.999 > 53 55 O 0.39408954476181 0.07920950897155 0.11757868634014 15.999 > 55 56 O 0.89408954476181 0.07920950897155 0.11757868634014 15.999 > 55 57 O 0.19216898933943 0.39739625581359 0.87082852012186 15.999 > 57 58 O 0.69216898933943 0.39739625581359 0.87082852012186 15.999 > 57 59 O 0.30783101066057 0.60260374418641 0.12917147987814 15.999 > 59 60 O 0.80783101066057 0.60260374418641 0.12917147987814 15.999 > 59 61 O 0.39408954476181 0.42079049102845 0.61757868634014 15.999 > 61 62 O 0.89408954476181 0.42079049102845 0.61757868634014 15.999 > 61 63 O 0.49760884620481 0.86247138060465 0.25003572745971 15.999 > 63 64 O 0.99760884620481 0.86247138060465 0.25003572745971 15.999 > 63 65 O 0.49760884620481 0.63752861939535 0.75003572745971 15.999 > 65 66 O 0.99760884620481 0.63752861939535 0.75003572745971 15.999 > 65 67 O 0.12517357432248 0.48099174453776 0.08597902620435 15.999 > 67 68 O 0.62517357432248 0.48099174453776 0.08597902620435 15.999 > 67 69 O 0.00239115379519 0.36247138060465 0.24996427254029 15.999 > 69 70 O 0.50239115379519 0.36247138060465 0.24996427254029 15.999 > 69 71 O 0.10591045523819 0.57920950897155 0.38242131365986 15.999 > 71 72 O 0.60591045523819 0.57920950897155 0.38242131365986 15.999 > 71 73 O 0.19216898933943 0.10260374418641 0.37082852012186 15.999 > 73 74 O 0.69216898933943 0.10260374418641 0.37082852012186 15.999 > 73 75 O 0.09240462454894 0.15355092385238 0.98329405292400 15.999 > 75 76 O 0.59240462454894 0.15355092385238 0.98329405292400 15.999 > 75 77 O 0.00239115379519 0.13752861939535 0.74996427254029 15.999 > 77 78 O 0.50239115379519 0.13752861939535 0.74996427254029 15.999 > 77 79 O 0.31199572213528 0.21742142134038 0.29836243559614 15.999 > 79 80 O 0.81199572213528 0.21742142134038 0.29836243559614 15.999 > 79 81 O 0.40759537545106 0.84644907614761 0.01670594707600 15.999 > 81 82 O 0.90759537545106 0.84644907614761 0.01670594707600 15.999 > 81 83 O 0.10591045523819 0.92079049102845 0.88242131365986 15.999 > 83 84 O 0.60591045523819 0.92079049102845 0.88242131365986 15.999 > 83 85 O 0.37482642567752 0.98099174453776 0.41402097379565 15.999 > 85 86 O 0.87482642567752 0.98099174453776 0.41402097379565 15.999 > 85 87 O 0.37482642567752 0.51900825546224 0.91402097379565 15.999 > 87 88 O 0.87482642567752 0.51900825546224 0.91402097379565 15.999 > 87 89 O 0.31199572213528 0.28257857865962 0.79836243559614 15.999 > 89 90 O 0.81199572213528 0.28257857865962 0.79836243559614 15.999 > 89 91 O 0.12517357432248 0.01900825546224 0.58597902620435 15.999 > 91 92 O 0.62517357432248 0.01900825546224 0.58597902620435 15.999 > 91 93 O 0.18800427786471 0.71742142134038 0.20163756440386 15.999 > 93 94 O 0.68800427786471 0.71742142134038 0.20163756440386 15.999 > 93 95 O 0.40759537545106 0.65355092385239 0.51670594707600 15.999 > 95 96 O 0.90759537545106 0.65355092385239 0.51670594707600 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9896796 0.0000000 -0.0384978 0.0000000 2.9546621 0.0000000 -0.0385004 0.0000000 2.8259541 -------------------------- Born effective charges -------------------------- 1 Na 1.0278653 0.0442190 0.0445347 0.0223025 1.1422544 0.0916309 0.1270011 0.0567780 1.1319787 2 Na 1.0278653 -0.0442190 0.0445347 -0.0223025 1.1422544 -0.0916309 0.1270011 -0.0567780 1.1319787 3 Na 1.0881485 -0.0410308 0.0284553 -0.0008055 1.0874626 0.0627282 0.0572059 0.0100128 1.1585302 4 Na 1.0651351 -0.0282468 -0.0371195 -0.0401894 1.0516020 0.0719347 -0.0946619 0.0331456 1.1175661 5 Na 1.0881485 -0.0410308 0.0284553 -0.0008055 1.0874626 0.0627282 0.0572059 0.0100128 1.1585302 6 Na 1.0278653 -0.0442190 0.0445347 -0.0223025 1.1422544 -0.0916309 0.1270011 -0.0567780 1.1319787 7 Na 1.0651351 -0.0282468 -0.0371195 -0.0401894 1.0516020 0.0719347 -0.0946619 0.0331456 1.1175661 8 Na 1.0278653 0.0442190 0.0445347 0.0223025 1.1422544 0.0916309 0.1270011 0.0567780 1.1319787 9 Na 1.0651351 0.0282468 -0.0371195 0.0401894 1.0516020 -0.0719347 -0.0946619 -0.0331456 1.1175661 10 Na 1.0881485 0.0410308 0.0284553 0.0008055 1.0874626 -0.0627282 0.0572059 -0.0100128 1.1585302 11 Na 1.0881485 0.0410308 0.0284553 0.0008055 1.0874626 -0.0627282 0.0572059 -0.0100128 1.1585302 12 Na 1.0651351 0.0282468 -0.0371195 0.0401894 1.0516020 -0.0719347 -0.0946619 -0.0331456 1.1175661 13 Nd 4.1392009 0.1744253 -0.0094378 0.1852443 3.6324527 0.1981968 -0.1182647 0.1102169 3.4482110 14 Nd 4.1392009 -0.1744253 -0.0094378 -0.1852443 3.6324527 -0.1981968 -0.1182647 -0.1102169 3.4482110 15 Nd 4.1392009 0.1744253 -0.0094378 0.1852443 3.6324527 0.1981968 -0.1182647 0.1102169 3.4482110 16 Nd 4.1392009 -0.1744253 -0.0094378 -0.1852443 3.6324527 -0.1981968 -0.1182647 -0.1102169 3.4482110 17 B 0.5477924 0.6349573 -0.2255584 0.7351459 2.3557202 -0.2519577 -0.2783889 -0.2461003 2.0190222 18 B 3.1654541 -0.0155899 -0.2404248 -0.1432173 1.7294091 -0.8357356 0.0613551 -0.9814440 0.8104744 19 B 0.5477924 -0.6349573 -0.2255584 -0.7351459 2.3557202 0.2519577 -0.2783889 0.2461003 2.0190222 20 B 0.5477924 -0.6349573 -0.2255584 -0.7351459 2.3557202 0.2519577 -0.2783889 0.2461003 2.0190222 21 B 3.1654541 0.0155899 -0.2404248 0.1432173 1.7294091 0.8357356 0.0613551 0.9814440 0.8104744 22 B 3.1654541 0.0155899 -0.2404248 0.1432173 1.7294091 0.8357356 0.0613551 0.9814440 0.8104744 23 B 0.5477924 0.6349573 -0.2255584 0.7351459 2.3557202 -0.2519577 -0.2783889 -0.2461003 2.0190222 24 B 3.1654541 -0.0155899 -0.2404248 -0.1432173 1.7294091 -0.8357356 0.0613551 -0.9814440 0.8104744 25 O -2.2263713 -0.2360344 0.1758831 -0.1355019 -1.6487869 0.4333700 0.1103120 0.5096108 -1.2582628 26 O -3.5111568 0.0444493 0.0709959 0.0850618 -1.1431190 0.0674090 -0.1193817 0.0871508 -1.0334819 27 O -1.0722850 -0.2601105 0.2131027 -0.3546888 -2.0595970 0.2120929 0.2130571 0.2246279 -2.0028899 28 O -1.1330877 0.3600297 -0.0114023 0.4202599 -2.1540707 -0.1218762 0.0059544 -0.1727835 -1.7075482 29 O -3.5111568 -0.0444493 0.0709959 -0.0850618 -1.1431190 -0.0674090 -0.1193817 -0.0871508 -1.0334819 30 O -3.5111568 -0.0444493 0.0709959 -0.0850618 -1.1431190 -0.0674090 -0.1193817 -0.0871508 -1.0334819 31 O -1.1330877 -0.3600297 -0.0114023 -0.4202599 -2.1540707 0.1218762 0.0059544 0.1727835 -1.7075482 32 O -1.0191483 0.2459724 0.0769044 0.3781488 -2.2495307 -0.1891864 0.1358875 -0.1419203 -1.9075171 33 O -1.0191483 -0.2459724 0.0769044 -0.3781488 -2.2495307 0.1891864 0.1358875 0.1419203 -1.9075171 34 O -2.0715473 -0.1934625 -0.0859333 -0.1610314 -1.7437967 -0.6577539 -0.1000758 -0.6910812 -1.7760827 35 O -1.0191483 -0.2459724 0.0769044 -0.3781488 -2.2495307 0.1891864 0.1358875 0.1419203 -1.9075171 36 O -1.1330877 -0.3600297 -0.0114023 -0.4202599 -2.1540707 0.1218762 0.0059544 0.1727835 -1.7075482 37 O -3.5111568 0.0444493 0.0709959 0.0850618 -1.1431190 0.0674090 -0.1193817 0.0871508 -1.0334819 38 O -1.0722850 0.2601105 0.2131027 0.3546888 -2.0595970 -0.2120929 0.2130571 -0.2246279 -2.0028899 39 O -1.0191483 0.2459724 0.0769044 0.3781488 -2.2495307 -0.1891864 0.1358875 -0.1419203 -1.9075171 40 O -2.2263713 -0.2360344 0.1758831 -0.1355019 -1.6487869 0.4333700 0.1103120 0.5096108 -1.2582628 41 O -1.0722850 0.2601105 0.2131027 0.3546888 -2.0595970 -0.2120929 0.2130571 -0.2246279 -2.0028899 42 O -1.1330877 0.3600297 -0.0114023 0.4202599 -2.1540707 -0.1218762 0.0059544 -0.1727835 -1.7075482 43 O -2.0715473 0.1934625 -0.0859333 0.1610314 -1.7437967 0.6577539 -0.1000758 0.6910812 -1.7760827 44 O -2.0715473 -0.1934625 -0.0859333 -0.1610314 -1.7437967 -0.6577539 -0.1000758 -0.6910812 -1.7760827 45 O -2.2263713 0.2360344 0.1758831 0.1355019 -1.6487869 -0.4333700 0.1103120 -0.5096108 -1.2582628 46 O -2.0715473 0.1934625 -0.0859333 0.1610314 -1.7437967 0.6577539 -0.1000758 0.6910812 -1.7760827 47 O -2.2263713 0.2360344 0.1758831 0.1355019 -1.6487869 -0.4333700 0.1103120 -0.5096108 -1.2582628 48 O -1.0722850 -0.2601105 0.2131027 -0.3546888 -2.0595970 0.2120929 0.2130571 0.2246279 -2.0028899 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 5, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 7, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 51, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 55, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 67, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (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 14:27:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:27:41]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.606658050008844 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): 1 Na 0.57937417249130 0.18442986767531 0.60452227232729 22.990 2 Na 0.42062582750870 0.68442986767531 0.89547772767271 22.990 3 Na 0.58396788656492 0.44049195713886 0.39080075190808 22.990 4 Na 0.17511292566628 0.26756398280264 0.65644045592550 22.990 5 Na 0.41603211343508 0.55950804286114 0.60919924809192 22.990 6 Na 0.57937417249130 0.31557013232469 0.10452227232729 22.990 7 Na 0.82488707433372 0.73243601719736 0.34355954407450 22.990 8 Na 0.42062582750870 0.81557013232469 0.39547772767271 22.990 9 Na 0.82488707433372 0.76756398280264 0.84355954407450 22.990 10 Na 0.41603211343508 0.94049195713886 0.10919924809192 22.990 11 Na 0.58396788656492 0.05950804286114 0.89080075190808 22.990 12 Na 0.17511292566628 0.23243601719736 0.15644045592550 22.990 13 Nd 0.98791373957883 0.88516384281852 0.64458106021791 144.242 14 Nd 0.98791373957883 0.61483615718148 0.14458106021791 144.242 15 Nd 0.01208626042117 0.11483615718148 0.35541893978209 144.242 16 Nd 0.01208626042117 0.38516384281852 0.85541893978209 144.242 17 B 0.13314924633302 0.43077849031115 0.37435160408965 10.811 18 B 0.41727781848055 0.89861500960376 0.63759478968302 10.811 19 B 0.86685075366698 0.93077849031115 0.12564839591035 10.811 20 B 0.13314924633302 0.06922150968885 0.87435160408965 10.811 21 B 0.41727781848055 0.60138499039624 0.13759478968302 10.811 22 B 0.58272218151945 0.39861500960376 0.86240521031698 10.811 23 B 0.86685075366698 0.56922150968885 0.62564839591035 10.811 24 B 0.58272218151945 0.10138499039624 0.36240521031698 10.811 25 O 0.37600855572943 0.78257857865962 0.70163756440386 15.999 26 O 0.61566202132114 0.89739625581359 0.62917147987814 15.999 27 O 0.18480924909787 0.34644907614762 0.48329405292400 15.999 28 O 0.78817908952362 0.07920950897155 0.11757868634014 15.999 29 O 0.38433797867886 0.39739625581359 0.87082852012186 15.999 30 O 0.61566202132114 0.60260374418641 0.12917147987814 15.999 31 O 0.78817908952362 0.42079049102845 0.61757868634014 15.999 32 O 0.99521769240962 0.86247138060465 0.25003572745971 15.999 33 O 0.99521769240962 0.63752861939535 0.75003572745971 15.999 34 O 0.25034714864497 0.48099174453776 0.08597902620435 15.999 35 O 0.00478230759038 0.36247138060465 0.24996427254029 15.999 36 O 0.21182091047638 0.57920950897155 0.38242131365986 15.999 37 O 0.38433797867886 0.10260374418641 0.37082852012186 15.999 38 O 0.18480924909787 0.15355092385238 0.98329405292400 15.999 39 O 0.00478230759038 0.13752861939535 0.74996427254029 15.999 40 O 0.62399144427057 0.21742142134038 0.29836243559614 15.999 41 O 0.81519075090213 0.84644907614761 0.01670594707600 15.999 42 O 0.21182091047638 0.92079049102845 0.88242131365986 15.999 43 O 0.74965285135503 0.98099174453776 0.41402097379565 15.999 44 O 0.74965285135503 0.51900825546224 0.91402097379565 15.999 45 O 0.62399144427057 0.28257857865962 0.79836243559614 15.999 46 O 0.25034714864497 0.01900825546224 0.58597902620435 15.999 47 O 0.37600855572943 0.71742142134038 0.20163756440386 15.999 48 O 0.81519075090213 0.65355092385239 0.51670594707600 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.213316100017687 0.000000000000000 0.000000000000000 b 0.000000000000000 8.752962030000001 0.000000000000000 c -6.474504193337850 0.000000000000000 10.159542236247463 Atomic positions (fractional): 1 Na 0.28968708624565 0.18442986767531 0.60452227232729 22.990 > 1 2 Na 0.78968708624565 0.18442986767531 0.60452227232729 22.990 > 1 3 Na 0.21031291375435 0.68442986767531 0.89547772767271 22.990 > 3 4 Na 0.71031291375435 0.68442986767531 0.89547772767271 22.990 > 3 5 Na 0.29198394328246 0.44049195713886 0.39080075190808 22.990 > 5 6 Na 0.79198394328246 0.44049195713886 0.39080075190808 22.990 > 5 7 Na 0.08755646283314 0.26756398280264 0.65644045592550 22.990 > 7 8 Na 0.58755646283314 0.26756398280264 0.65644045592550 22.990 > 7 9 Na 0.20801605671754 0.55950804286114 0.60919924809192 22.990 > 9 10 Na 0.70801605671754 0.55950804286114 0.60919924809192 22.990 > 9 11 Na 0.28968708624565 0.31557013232469 0.10452227232729 22.990 > 11 12 Na 0.78968708624565 0.31557013232469 0.10452227232729 22.990 > 11 13 Na 0.41244353716686 0.73243601719736 0.34355954407450 22.990 > 13 14 Na 0.91244353716686 0.73243601719736 0.34355954407450 22.990 > 13 15 Na 0.21031291375435 0.81557013232469 0.39547772767271 22.990 > 15 16 Na 0.71031291375435 0.81557013232469 0.39547772767271 22.990 > 15 17 Na 0.41244353716686 0.76756398280264 0.84355954407450 22.990 > 17 18 Na 0.91244353716686 0.76756398280264 0.84355954407450 22.990 > 17 19 Na 0.20801605671754 0.94049195713886 0.10919924809192 22.990 > 19 20 Na 0.70801605671754 0.94049195713886 0.10919924809192 22.990 > 19 21 Na 0.29198394328246 0.05950804286114 0.89080075190808 22.990 > 21 22 Na 0.79198394328246 0.05950804286114 0.89080075190808 22.990 > 21 23 Na 0.08755646283314 0.23243601719736 0.15644045592550 22.990 > 23 24 Na 0.58755646283314 0.23243601719736 0.15644045592550 22.990 > 23 25 Nd 0.49395686978942 0.88516384281852 0.64458106021791 144.242 > 25 26 Nd 0.99395686978942 0.88516384281852 0.64458106021791 144.242 > 25 27 Nd 0.49395686978942 0.61483615718148 0.14458106021791 144.242 > 27 28 Nd 0.99395686978942 0.61483615718148 0.14458106021791 144.242 > 27 29 Nd 0.00604313021058 0.11483615718148 0.35541893978209 144.242 > 29 30 Nd 0.50604313021058 0.11483615718148 0.35541893978209 144.242 > 29 31 Nd 0.00604313021058 0.38516384281852 0.85541893978209 144.242 > 31 32 Nd 0.50604313021058 0.38516384281852 0.85541893978209 144.242 > 31 33 B 0.06657462316651 0.43077849031115 0.37435160408965 10.811 > 33 34 B 0.56657462316651 0.43077849031115 0.37435160408965 10.811 > 33 35 B 0.20863890924028 0.89861500960376 0.63759478968302 10.811 > 35 36 B 0.70863890924027 0.89861500960376 0.63759478968302 10.811 > 35 37 B 0.43342537683349 0.93077849031115 0.12564839591035 10.811 > 37 38 B 0.93342537683349 0.93077849031115 0.12564839591035 10.811 > 37 39 B 0.06657462316651 0.06922150968885 0.87435160408965 10.811 > 39 40 B 0.56657462316651 0.06922150968885 0.87435160408965 10.811 > 39 41 B 0.20863890924028 0.60138499039624 0.13759478968302 10.811 > 41 42 B 0.70863890924027 0.60138499039624 0.13759478968302 10.811 > 41 43 B 0.29136109075972 0.39861500960376 0.86240521031698 10.811 > 43 44 B 0.79136109075973 0.39861500960376 0.86240521031698 10.811 > 43 45 B 0.43342537683349 0.56922150968885 0.62564839591035 10.811 > 45 46 B 0.93342537683349 0.56922150968885 0.62564839591035 10.811 > 45 47 B 0.29136109075972 0.10138499039624 0.36240521031698 10.811 > 47 48 B 0.79136109075973 0.10138499039624 0.36240521031698 10.811 > 47 49 O 0.18800427786471 0.78257857865962 0.70163756440386 15.999 > 49 50 O 0.68800427786471 0.78257857865962 0.70163756440386 15.999 > 49 51 O 0.30783101066057 0.89739625581359 0.62917147987814 15.999 > 51 52 O 0.80783101066057 0.89739625581359 0.62917147987814 15.999 > 51 53 O 0.09240462454894 0.34644907614762 0.48329405292400 15.999 > 53 54 O 0.59240462454894 0.34644907614762 0.48329405292400 15.999 > 53 55 O 0.39408954476181 0.07920950897155 0.11757868634014 15.999 > 55 56 O 0.89408954476181 0.07920950897155 0.11757868634014 15.999 > 55 57 O 0.19216898933943 0.39739625581359 0.87082852012186 15.999 > 57 58 O 0.69216898933943 0.39739625581359 0.87082852012186 15.999 > 57 59 O 0.30783101066057 0.60260374418641 0.12917147987814 15.999 > 59 60 O 0.80783101066057 0.60260374418641 0.12917147987814 15.999 > 59 61 O 0.39408954476181 0.42079049102845 0.61757868634014 15.999 > 61 62 O 0.89408954476181 0.42079049102845 0.61757868634014 15.999 > 61 63 O 0.49760884620481 0.86247138060465 0.25003572745971 15.999 > 63 64 O 0.99760884620481 0.86247138060465 0.25003572745971 15.999 > 63 65 O 0.49760884620481 0.63752861939535 0.75003572745971 15.999 > 65 66 O 0.99760884620481 0.63752861939535 0.75003572745971 15.999 > 65 67 O 0.12517357432248 0.48099174453776 0.08597902620435 15.999 > 67 68 O 0.62517357432248 0.48099174453776 0.08597902620435 15.999 > 67 69 O 0.00239115379519 0.36247138060465 0.24996427254029 15.999 > 69 70 O 0.50239115379519 0.36247138060465 0.24996427254029 15.999 > 69 71 O 0.10591045523819 0.57920950897155 0.38242131365986 15.999 > 71 72 O 0.60591045523819 0.57920950897155 0.38242131365986 15.999 > 71 73 O 0.19216898933943 0.10260374418641 0.37082852012186 15.999 > 73 74 O 0.69216898933943 0.10260374418641 0.37082852012186 15.999 > 73 75 O 0.09240462454894 0.15355092385238 0.98329405292400 15.999 > 75 76 O 0.59240462454894 0.15355092385238 0.98329405292400 15.999 > 75 77 O 0.00239115379519 0.13752861939535 0.74996427254029 15.999 > 77 78 O 0.50239115379519 0.13752861939535 0.74996427254029 15.999 > 77 79 O 0.31199572213528 0.21742142134038 0.29836243559614 15.999 > 79 80 O 0.81199572213528 0.21742142134038 0.29836243559614 15.999 > 79 81 O 0.40759537545106 0.84644907614761 0.01670594707600 15.999 > 81 82 O 0.90759537545106 0.84644907614761 0.01670594707600 15.999 > 81 83 O 0.10591045523819 0.92079049102845 0.88242131365986 15.999 > 83 84 O 0.60591045523819 0.92079049102845 0.88242131365986 15.999 > 83 85 O 0.37482642567752 0.98099174453776 0.41402097379565 15.999 > 85 86 O 0.87482642567752 0.98099174453776 0.41402097379565 15.999 > 85 87 O 0.37482642567752 0.51900825546224 0.91402097379565 15.999 > 87 88 O 0.87482642567752 0.51900825546224 0.91402097379565 15.999 > 87 89 O 0.31199572213528 0.28257857865962 0.79836243559614 15.999 > 89 90 O 0.81199572213528 0.28257857865962 0.79836243559614 15.999 > 89 91 O 0.12517357432248 0.01900825546224 0.58597902620435 15.999 > 91 92 O 0.62517357432248 0.01900825546224 0.58597902620435 15.999 > 91 93 O 0.18800427786471 0.71742142134038 0.20163756440386 15.999 > 93 94 O 0.68800427786471 0.71742142134038 0.20163756440386 15.999 > 93 95 O 0.40759537545106 0.65355092385239 0.51670594707600 15.999 > 95 96 O 0.90759537545106 0.65355092385239 0.51670594707600 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9896796 0.0000000 -0.0384978 0.0000000 2.9546621 0.0000000 -0.0385004 0.0000000 2.8259541 -------------------------- Born effective charges -------------------------- 1 Na 1.0278653 0.0442190 0.0445347 0.0223025 1.1422544 0.0916309 0.1270011 0.0567780 1.1319787 2 Na 1.0278653 -0.0442190 0.0445347 -0.0223025 1.1422544 -0.0916309 0.1270011 -0.0567780 1.1319787 3 Na 1.0881485 -0.0410308 0.0284553 -0.0008055 1.0874626 0.0627282 0.0572059 0.0100128 1.1585302 4 Na 1.0651351 -0.0282468 -0.0371195 -0.0401894 1.0516020 0.0719347 -0.0946619 0.0331456 1.1175661 5 Na 1.0881485 -0.0410308 0.0284553 -0.0008055 1.0874626 0.0627282 0.0572059 0.0100128 1.1585302 6 Na 1.0278653 -0.0442190 0.0445347 -0.0223025 1.1422544 -0.0916309 0.1270011 -0.0567780 1.1319787 7 Na 1.0651351 -0.0282468 -0.0371195 -0.0401894 1.0516020 0.0719347 -0.0946619 0.0331456 1.1175661 8 Na 1.0278653 0.0442190 0.0445347 0.0223025 1.1422544 0.0916309 0.1270011 0.0567780 1.1319787 9 Na 1.0651351 0.0282468 -0.0371195 0.0401894 1.0516020 -0.0719347 -0.0946619 -0.0331456 1.1175661 10 Na 1.0881485 0.0410308 0.0284553 0.0008055 1.0874626 -0.0627282 0.0572059 -0.0100128 1.1585302 11 Na 1.0881485 0.0410308 0.0284553 0.0008055 1.0874626 -0.0627282 0.0572059 -0.0100128 1.1585302 12 Na 1.0651351 0.0282468 -0.0371195 0.0401894 1.0516020 -0.0719347 -0.0946619 -0.0331456 1.1175661 13 Nd 4.1392009 0.1744253 -0.0094378 0.1852443 3.6324527 0.1981968 -0.1182647 0.1102169 3.4482110 14 Nd 4.1392009 -0.1744253 -0.0094378 -0.1852443 3.6324527 -0.1981968 -0.1182647 -0.1102169 3.4482110 15 Nd 4.1392009 0.1744253 -0.0094378 0.1852443 3.6324527 0.1981968 -0.1182647 0.1102169 3.4482110 16 Nd 4.1392009 -0.1744253 -0.0094378 -0.1852443 3.6324527 -0.1981968 -0.1182647 -0.1102169 3.4482110 17 B 0.5477924 0.6349573 -0.2255584 0.7351459 2.3557202 -0.2519577 -0.2783889 -0.2461003 2.0190222 18 B 3.1654541 -0.0155899 -0.2404248 -0.1432173 1.7294091 -0.8357356 0.0613551 -0.9814440 0.8104744 19 B 0.5477924 -0.6349573 -0.2255584 -0.7351459 2.3557202 0.2519577 -0.2783889 0.2461003 2.0190222 20 B 0.5477924 -0.6349573 -0.2255584 -0.7351459 2.3557202 0.2519577 -0.2783889 0.2461003 2.0190222 21 B 3.1654541 0.0155899 -0.2404248 0.1432173 1.7294091 0.8357356 0.0613551 0.9814440 0.8104744 22 B 3.1654541 0.0155899 -0.2404248 0.1432173 1.7294091 0.8357356 0.0613551 0.9814440 0.8104744 23 B 0.5477924 0.6349573 -0.2255584 0.7351459 2.3557202 -0.2519577 -0.2783889 -0.2461003 2.0190222 24 B 3.1654541 -0.0155899 -0.2404248 -0.1432173 1.7294091 -0.8357356 0.0613551 -0.9814440 0.8104744 25 O -2.2263713 -0.2360344 0.1758831 -0.1355019 -1.6487869 0.4333700 0.1103120 0.5096108 -1.2582628 26 O -3.5111568 0.0444493 0.0709959 0.0850618 -1.1431190 0.0674090 -0.1193817 0.0871508 -1.0334819 27 O -1.0722850 -0.2601105 0.2131027 -0.3546888 -2.0595970 0.2120929 0.2130571 0.2246279 -2.0028899 28 O -1.1330877 0.3600297 -0.0114023 0.4202599 -2.1540707 -0.1218762 0.0059544 -0.1727835 -1.7075482 29 O -3.5111568 -0.0444493 0.0709959 -0.0850618 -1.1431190 -0.0674090 -0.1193817 -0.0871508 -1.0334819 30 O -3.5111568 -0.0444493 0.0709959 -0.0850618 -1.1431190 -0.0674090 -0.1193817 -0.0871508 -1.0334819 31 O -1.1330877 -0.3600297 -0.0114023 -0.4202599 -2.1540707 0.1218762 0.0059544 0.1727835 -1.7075482 32 O -1.0191483 0.2459724 0.0769044 0.3781488 -2.2495307 -0.1891864 0.1358875 -0.1419203 -1.9075171 33 O -1.0191483 -0.2459724 0.0769044 -0.3781488 -2.2495307 0.1891864 0.1358875 0.1419203 -1.9075171 34 O -2.0715473 -0.1934625 -0.0859333 -0.1610314 -1.7437967 -0.6577539 -0.1000758 -0.6910812 -1.7760827 35 O -1.0191483 -0.2459724 0.0769044 -0.3781488 -2.2495307 0.1891864 0.1358875 0.1419203 -1.9075171 36 O -1.1330877 -0.3600297 -0.0114023 -0.4202599 -2.1540707 0.1218762 0.0059544 0.1727835 -1.7075482 37 O -3.5111568 0.0444493 0.0709959 0.0850618 -1.1431190 0.0674090 -0.1193817 0.0871508 -1.0334819 38 O -1.0722850 0.2601105 0.2131027 0.3546888 -2.0595970 -0.2120929 0.2130571 -0.2246279 -2.0028899 39 O -1.0191483 0.2459724 0.0769044 0.3781488 -2.2495307 -0.1891864 0.1358875 -0.1419203 -1.9075171 40 O -2.2263713 -0.2360344 0.1758831 -0.1355019 -1.6487869 0.4333700 0.1103120 0.5096108 -1.2582628 41 O -1.0722850 0.2601105 0.2131027 0.3546888 -2.0595970 -0.2120929 0.2130571 -0.2246279 -2.0028899 42 O -1.1330877 0.3600297 -0.0114023 0.4202599 -2.1540707 -0.1218762 0.0059544 -0.1727835 -1.7075482 43 O -2.0715473 0.1934625 -0.0859333 0.1610314 -1.7437967 0.6577539 -0.1000758 0.6910812 -1.7760827 44 O -2.0715473 -0.1934625 -0.0859333 -0.1610314 -1.7437967 -0.6577539 -0.1000758 -0.6910812 -1.7760827 45 O -2.2263713 0.2360344 0.1758831 0.1355019 -1.6487869 -0.4333700 0.1103120 -0.5096108 -1.2582628 46 O -2.0715473 0.1934625 -0.0859333 0.1610314 -1.7437967 0.6577539 -0.1000758 0.6910812 -1.7760827 47 O -2.2263713 0.2360344 0.1758831 0.1355019 -1.6487869 -0.4333700 0.1103120 -0.5096108 -1.2582628 48 O -1.0722850 -0.2601105 0.2131027 -0.3546888 -2.0595970 0.2120929 0.2130571 0.2246279 -2.0028899 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 0.000) 0.000 16.535 ( 0.000 0.000 0.000) 0.000 16.806 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 17.981 ( 0.000 0.000 0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.016 ( 0.000 0.000 0.000) 0.000 18.189 ( 0.000 0.000 0.000) 0.000 18.213 ( 0.000 0.000 0.000) 0.000 18.493 ( 0.000 0.000 0.000) 0.000 18.856 ( 0.000 0.000 0.000) 0.000 18.897 ( 0.000 0.000 0.000) 0.000 19.051 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 21.385 ( 0.000 0.000 0.000) 0.000 21.469 ( 0.000 0.000 0.000) 0.000 21.504 ( 0.000 0.000 0.000) 0.000 21.800 ( 0.000 0.000 0.000) 0.000 21.825 ( 0.000 0.000 0.000) 0.000 21.838 ( 0.000 0.000 0.000) 0.000 21.848 ( 0.000 0.000 0.000) 0.000 26.753 ( 0.000 0.000 0.000) 0.000 26.809 ( 0.000 0.000 0.000) 0.000 26.949 ( 0.000 0.000 0.000) 0.000 26.956 ( 0.000 0.000 0.000) 0.000 27.178 ( 0.000 0.000 0.000) 0.000 27.206 ( 0.000 0.000 0.000) 0.000 27.268 ( 0.000 0.000 0.000) 0.000 27.312 ( 0.000 0.000 0.000) 0.000 35.255 ( 0.000 0.000 0.000) 0.000 35.421 ( 0.000 0.000 0.000) 0.000 35.544 ( 0.000 0.000 0.000) 0.000 35.824 ( 0.000 0.000 0.000) 0.000 36.248 ( 0.000 0.000 0.000) 0.000 36.347 ( 0.000 0.000 0.000) 0.000 36.603 ( 0.000 0.000 0.000) 0.000 37.515 ( 0.000 0.000 0.000) 0.000 38.290 ( 0.000 0.000 0.000) 0.000 38.330 ( 0.000 0.000 0.000) 0.000 38.368 ( 0.000 0.000 0.000) 0.000 38.599 ( 0.000 0.000 0.000) 0.000 38.612 ( 0.000 0.000 0.000) 0.000 38.798 ( 0.000 0.000 0.000) 0.000 39.077 ( 0.000 0.000 0.000) 0.000 39.657 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 15.085 0.000 15.769) 21.822 0.602 ( 20.714 0.000 22.034) 30.242 1.100 ( 52.842 0.000 8.887) 53.584 1.845 ( -1.653 0.000 2.589) 3.072 2.126 ( 9.538 0.000 -3.928) 10.316 2.310 ( -0.883 0.000 -0.455) 0.994 2.330 ( 20.619 0.000 -7.770) 22.035 2.426 ( 5.190 0.000 -2.350) 5.697 2.495 ( 9.836 0.000 -2.762) 10.216 2.566 ( -1.575 0.000 0.660) 1.708 2.692 ( 9.450 0.000 3.091) 9.943 2.877 ( 7.928 0.000 0.696) 7.958 2.985 ( -8.717 0.000 -4.445) 9.785 3.085 ( -0.474 0.000 -9.773) 9.785 3.100 ( -1.608 0.000 1.249) 2.036 3.185 ( -1.380 0.000 -0.870) 1.632 3.315 ( -7.064 0.000 5.549) 8.983 3.349 ( -5.660 0.000 -2.471) 6.176 3.479 ( 2.190 0.000 -3.577) 4.194 3.499 ( 7.382 0.000 -10.826) 13.104 3.591 ( 3.141 0.000 -3.835) 4.957 3.691 ( 3.943 0.000 -0.097) 3.944 3.795 ( -2.567 0.000 4.153) 4.882 3.861 ( -1.529 0.000 0.827) 1.738 3.887 ( 9.480 0.000 -3.583) 10.134 4.119 ( 0.946 0.000 -0.236) 0.975 4.245 ( -1.163 0.000 0.596) 1.307 4.324 ( 3.168 0.000 -1.473) 3.494 4.327 ( -10.071 0.000 -3.906) 10.802 4.357 ( 0.370 0.000 0.488) 0.612 4.357 ( -3.470 0.000 1.927) 3.969 4.515 ( 1.167 0.000 -0.557) 1.293 4.610 ( -0.790 0.000 5.947) 5.999 4.816 ( 5.980 0.000 3.225) 6.794 4.844 ( -1.778 0.000 -0.605) 1.878 4.930 ( 0.381 0.000 -16.659) 16.663 5.018 ( -3.446 0.000 2.364) 4.179 5.048 ( -3.555 0.000 3.671) 5.110 5.092 ( 0.988 0.000 -0.908) 1.341 5.118 ( 2.968 0.000 1.640) 3.391 5.245 ( -0.469 0.000 8.178) 8.192 5.289 ( 3.969 0.000 -7.511) 8.495 5.344 ( -2.866 0.000 -0.778) 2.970 5.404 ( -3.821 0.000 -1.937) 4.284 5.494 ( 1.803 0.000 -9.824) 9.988 5.519 ( 4.243 0.000 -0.240) 4.249 5.524 ( 3.690 0.000 -2.992) 4.751 5.729 ( -3.313 0.000 -0.326) 3.330 5.772 ( 1.168 0.000 -4.001) 4.168 5.838 ( 6.377 0.000 6.945) 9.428 5.848 ( -1.108 0.000 5.551) 5.660 6.099 ( 4.155 0.000 8.394) 9.366 6.184 ( 3.799 0.000 1.049) 3.942 6.225 ( 1.520 0.000 5.693) 5.893 6.322 ( 4.538 0.000 3.662) 5.831 6.392 ( -1.856 0.000 1.915) 2.667 6.413 ( 0.597 0.000 -9.006) 9.026 6.551 ( -3.392 0.000 3.472) 4.854 6.605 ( -5.618 0.000 4.750) 7.357 6.700 ( -5.854 0.000 -4.592) 7.440 6.801 ( -7.493 0.000 8.963) 11.682 6.832 ( 1.331 0.000 4.372) 4.570 6.891 ( 1.145 0.000 6.175) 6.280 6.919 ( 3.755 0.000 0.265) 3.765 7.041 ( -0.895 0.000 1.408) 1.669 7.066 ( 1.326 0.000 2.491) 2.822 7.218 ( -2.511 0.000 -1.917) 3.159 7.228 ( 0.732 0.000 1.534) 1.699 7.307 ( 1.808 0.000 2.745) 3.287 7.334 ( 1.620 0.000 -3.437) 3.800 7.474 ( 3.133 0.000 -8.992) 9.522 7.501 ( 9.349 0.000 -1.073) 9.410 7.732 ( -9.761 0.000 6.840) 11.919 7.869 ( 1.370 0.000 0.397) 1.426 7.920 ( -6.543 0.000 -0.089) 6.544 8.157 ( -0.868 0.000 4.051) 4.143 8.179 ( 6.901 0.000 0.764) 6.943 8.274 ( -0.625 0.000 -3.219) 3.280 8.297 ( 0.913 0.000 -3.969) 4.073 8.441 ( 2.793 0.000 -1.346) 3.100 8.508 ( 3.938 0.000 4.061) 5.657 8.556 ( -2.338 0.000 3.677) 4.358 8.666 ( -3.545 0.000 1.198) 3.741 8.755 ( 1.678 0.000 -2.697) 3.176 8.787 ( -2.733 0.000 -2.547) 3.736 9.031 ( 2.081 0.000 5.913) 6.268 9.126 ( 8.485 0.000 -3.556) 9.200 9.182 ( 8.334 0.000 -0.981) 8.391 9.464 ( 3.308 0.000 -2.859) 4.372 9.578 ( 5.088 0.000 -10.959) 12.083 9.686 ( 0.089 0.000 -0.435) 0.444 9.797 ( 11.842 0.000 -17.258) 20.930 9.991 ( 0.971 0.000 -0.048) 0.973 10.017 ( 0.857 0.000 14.876) 14.901 10.223 ( 3.373 0.000 -1.047) 3.531 11.114 ( -2.656 0.000 -5.383) 6.002 16.464 ( 0.790 0.000 0.286) 0.840 16.545 ( 1.158 0.000 0.108) 1.163 16.793 ( -1.496 0.000 0.088) 1.499 16.931 ( -0.743 0.000 0.255) 0.786 17.480 ( -0.129 0.000 0.079) 0.151 17.502 ( -0.023 0.000 0.323) 0.323 17.866 ( -2.240 0.000 4.616) 5.131 17.938 ( -0.911 0.000 -2.799) 2.944 18.014 ( -0.692 0.000 0.746) 1.017 18.018 ( 0.607 0.000 1.648) 1.756 18.176 ( -1.061 0.000 -0.659) 1.249 18.197 ( -2.107 0.000 0.349) 2.136 18.454 ( -4.763 0.000 0.597) 4.800 18.781 ( -6.329 0.000 -2.696) 6.880 18.843 ( -7.696 0.000 2.004) 7.953 19.026 ( -6.147 0.000 -1.828) 6.413 21.362 ( 0.254 0.000 0.237) 0.347 21.459 ( -0.261 0.000 -1.286) 1.312 21.501 ( -0.019 0.000 -0.343) 0.343 21.529 ( 3.725 0.000 -5.624) 6.746 21.822 ( -0.306 0.000 -0.077) 0.315 21.838 ( 0.329 0.000 -0.566) 0.655 21.850 ( -0.490 0.000 1.006) 1.119 21.862 ( -3.799 0.000 6.257) 7.320 26.755 ( 0.159 0.000 0.169) 0.232 26.806 ( -0.255 0.000 -0.080) 0.267 26.949 ( 0.238 0.000 -0.391) 0.458 26.958 ( 0.065 0.000 0.123) 0.140 27.193 ( 1.729 0.000 0.122) 1.733 27.222 ( 1.628 0.000 0.143) 1.634 27.280 ( 1.457 0.000 -0.287) 1.485 27.320 ( 1.000 0.000 -0.164) 1.013 35.272 ( -1.026 0.000 4.327) 4.446 35.304 ( -8.534 0.000 -2.833) 8.992 35.727 ( 3.238 0.000 7.201) 7.896 35.788 ( -2.671 0.000 -2.205) 3.463 36.228 ( -1.887 0.000 -0.074) 1.889 36.334 ( -0.866 0.000 -0.857) 1.218 36.934 ( -22.443 0.000 37.599) 43.787 37.448 ( -4.623 0.000 -4.445) 6.413 38.180 ( -10.220 0.000 -2.497) 10.521 38.370 ( 3.036 0.000 2.280) 3.797 38.563 ( -4.693 0.000 -0.728) 4.749 38.786 ( 2.738 0.000 -4.405) 5.187 38.859 ( 17.675 0.000 2.012) 17.789 39.287 ( 15.184 0.000 13.297) 20.183 39.454 ( 3.350 0.000 -0.602) 3.404 40.294 ( 51.940 0.000 -86.342) 100.760 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 14.275 0.000 13.370) 19.559 1.146 ( 18.247 0.000 16.575) 24.651 1.734 ( 11.225 0.000 0.517) 11.237 1.937 ( 6.408 0.000 4.936) 8.089 2.265 ( 16.194 0.000 -12.139) 20.238 2.311 ( -4.127 0.000 -4.873) 6.385 2.342 ( -0.684 0.000 10.747) 10.769 2.488 ( 1.009 0.000 -15.887) 15.919 2.570 ( 0.879 0.000 3.767) 3.868 2.719 ( 19.258 0.000 -5.052) 19.910 2.814 ( 0.232 0.000 3.158) 3.166 2.872 ( -4.255 0.000 -12.306) 13.021 2.990 ( -3.065 0.000 5.121) 5.968 3.073 ( 14.576 0.000 -4.591) 15.282 3.120 ( 11.744 0.000 0.419) 11.751 3.213 ( 8.598 0.000 1.134) 8.673 3.267 ( 1.505 0.000 -1.510) 2.132 3.300 ( -0.784 0.000 2.911) 3.014 3.496 ( 1.251 0.000 1.136) 1.689 3.587 ( 9.029 0.000 0.521) 9.044 3.592 ( 0.841 0.000 -0.400) 0.931 3.749 ( 1.254 0.000 -0.321) 1.294 3.757 ( -4.515 0.000 2.352) 5.091 3.838 ( -0.522 0.000 -1.975) 2.043 3.999 ( 0.287 0.000 -0.012) 0.287 4.114 ( -1.709 0.000 0.088) 1.712 4.142 ( -5.468 0.000 -5.543) 7.786 4.200 ( 4.348 0.000 -0.077) 4.348 4.318 ( -2.671 0.000 1.745) 3.191 4.381 ( 0.648 0.000 3.750) 3.806 4.425 ( 7.239 0.000 -2.970) 7.825 4.527 ( 3.617 0.000 -6.484) 7.425 4.631 ( -2.289 0.000 4.614) 5.150 4.767 ( 0.189 0.000 -12.435) 12.436 4.833 ( -0.915 0.000 1.921) 2.128 4.914 ( 1.917 0.000 3.370) 3.877 4.960 ( -4.480 0.000 -0.587) 4.518 5.015 ( -1.755 0.000 -1.288) 2.176 5.092 ( -0.095 0.000 0.530) 0.538 5.168 ( -3.266 0.000 2.351) 4.024 5.253 ( -7.680 0.000 4.969) 9.147 5.296 ( 4.520 0.000 -10.221) 11.176 5.342 ( 0.377 0.000 7.287) 7.297 5.343 ( 7.633 0.000 -9.949) 12.540 5.442 ( 2.649 0.000 -4.056) 4.845 5.542 ( 5.035 0.000 -7.018) 8.637 5.553 ( 3.031 0.000 -2.288) 3.798 5.763 ( 3.669 0.000 3.287) 4.926 5.776 ( 6.251 0.000 -3.905) 7.371 5.907 ( -1.993 0.000 5.538) 5.886 6.030 ( 4.272 0.000 0.334) 4.285 6.162 ( 1.414 0.000 4.871) 5.072 6.199 ( 2.596 0.000 -4.942) 5.582 6.324 ( 1.924 0.000 8.495) 8.711 6.360 ( -2.337 0.000 0.943) 2.520 6.412 ( -0.311 0.000 -1.773) 1.800 6.499 ( -5.176 0.000 5.852) 7.812 6.503 ( -6.512 0.000 0.883) 6.572 6.533 ( 6.041 0.000 9.025) 10.860 6.577 ( -1.621 0.000 -5.068) 5.321 6.783 ( -0.643 0.000 2.119) 2.214 6.916 ( 0.736 0.000 0.682) 1.003 6.961 ( 0.576 0.000 1.908) 1.993 6.974 ( 3.359 0.000 3.971) 5.201 7.048 ( -1.761 0.000 -3.783) 4.172 7.078 ( 0.637 0.000 -10.059) 10.079 7.141 ( -0.857 0.000 6.774) 6.828 7.251 ( -1.139 0.000 2.257) 2.528 7.355 ( -0.380 0.000 5.497) 5.510 7.382 ( -0.370 0.000 9.314) 9.321 7.451 ( 5.330 0.000 -8.622) 10.136 7.644 ( -6.360 0.000 6.406) 9.027 7.657 ( 6.216 0.000 1.212) 6.333 7.824 ( -3.028 0.000 -1.202) 3.258 7.887 ( 0.602 0.000 -0.276) 0.663 8.135 ( -5.292 0.000 3.731) 6.475 8.271 ( 3.390 0.000 -3.247) 4.694 8.287 ( 3.584 0.000 0.166) 3.588 8.290 ( 3.668 0.000 -2.532) 4.457 8.459 ( -1.007 0.000 -2.578) 2.768 8.557 ( 2.329 0.000 2.924) 3.738 8.608 ( -0.229 0.000 3.710) 3.717 8.673 ( 2.429 0.000 -0.244) 2.442 8.689 ( 3.526 0.000 -9.962) 10.567 8.816 ( 3.498 0.000 3.673) 5.072 9.163 ( 5.894 0.000 5.707) 8.205 9.229 ( 4.058 0.000 2.198) 4.615 9.304 ( 7.700 0.000 -3.031) 8.275 9.499 ( 5.487 0.000 -4.918) 7.369 9.565 ( 6.516 0.000 -8.650) 10.830 9.691 ( 0.839 0.000 -0.454) 0.954 9.820 ( 9.499 0.000 -12.212) 15.471 10.018 ( 2.226 0.000 0.241) 2.239 10.180 ( 4.180 0.000 4.993) 6.512 10.321 ( 2.726 0.000 10.210) 10.568 10.966 ( -10.196 0.000 -1.643) 10.328 16.489 ( 1.933 0.000 0.183) 1.942 16.573 ( 2.045 0.000 -0.095) 2.047 16.761 ( -2.535 0.000 0.447) 2.574 16.914 ( -1.673 0.000 0.121) 1.678 17.479 ( -0.143 0.000 0.163) 0.217 17.501 ( -0.422 0.000 0.127) 0.440 17.884 ( -0.307 0.000 2.681) 2.698 17.896 ( -0.529 0.000 -2.750) 2.800 18.008 ( -0.948 0.000 0.781) 1.228 18.037 ( 0.061 0.000 0.901) 0.903 18.139 ( -2.218 0.000 -1.102) 2.477 18.151 ( -4.045 0.000 0.979) 4.161 18.362 ( -6.479 0.000 0.979) 6.553 18.619 ( -7.490 0.000 -4.132) 8.554 18.697 ( -11.824 0.000 2.687) 12.126 18.865 ( -9.684 0.000 -2.117) 9.913 21.373 ( 0.513 0.000 0.457) 0.687 21.438 ( -0.462 0.000 -1.420) 1.494 21.497 ( 0.144 0.000 -0.530) 0.549 21.529 ( 1.135 0.000 -2.124) 2.408 21.817 ( -0.077 0.000 -0.162) 0.179 21.837 ( 0.182 0.000 -0.493) 0.525 21.852 ( -0.565 0.000 1.070) 1.210 21.864 ( -1.673 0.000 2.604) 3.095 26.761 ( 0.248 0.000 0.273) 0.368 26.800 ( -0.325 0.000 -0.097) 0.339 26.949 ( 0.349 0.000 -0.629) 0.719 26.960 ( 0.049 0.000 -0.009) 0.050 27.233 ( 2.611 0.000 0.202) 2.619 27.259 ( 2.544 0.000 0.022) 2.544 27.305 ( 1.842 0.000 -0.423) 1.890 27.338 ( 1.312 0.000 -0.459) 1.390 35.127 ( -7.904 0.000 -3.321) 8.573 35.303 ( -2.613 0.000 6.808) 7.292 35.696 ( -3.728 0.000 -4.311) 5.700 35.847 ( 3.548 0.000 3.706) 5.131 36.206 ( -0.144 0.000 0.191) 0.239 36.306 ( -1.109 0.000 -0.735) 1.330 36.965 ( -10.078 0.000 18.947) 21.461 37.288 ( -6.682 0.000 -6.606) 9.396 38.038 ( -4.763 0.000 -0.848) 4.838 38.423 ( -1.389 0.000 -3.590) 3.849 38.512 ( 0.064 0.000 7.422) 7.422 38.760 ( -0.560 0.000 -2.736) 2.793 39.211 ( 20.708 0.000 1.921) 20.797 39.505 ( 5.345 0.000 -4.510) 6.993 39.773 ( 20.910 0.000 16.020) 26.341 40.227 ( 23.016 0.000 -43.225) 48.971 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 10.559 0.000 8.709) 13.687 1.486 ( 7.464 0.000 -0.694) 7.496 1.804 ( 4.032 0.000 7.048) 8.120 1.960 ( -6.841 0.000 -7.739) 10.329 2.314 ( 11.321 0.000 1.371) 11.404 2.323 ( 3.053 0.000 -1.005) 3.214 2.348 ( -2.452 0.000 -1.624) 2.941 2.451 ( 4.711 0.000 -1.802) 5.044 2.600 ( -6.118 0.000 3.904) 7.257 2.654 ( -8.299 0.000 -5.013) 9.695 2.778 ( -0.462 0.000 -4.372) 4.396 2.799 ( 3.759 0.000 -2.274) 4.393 3.118 ( -2.456 0.000 -5.035) 5.602 3.139 ( 2.265 0.000 7.745) 8.069 3.334 ( 5.284 0.000 -2.615) 5.896 3.336 ( 10.479 0.000 -0.796) 10.509 3.413 ( 5.102 0.000 5.352) 7.394 3.478 ( 4.592 0.000 0.435) 4.613 3.534 ( 14.868 0.000 1.248) 14.920 3.608 ( -0.114 0.000 1.389) 1.394 3.688 ( -4.866 0.000 -1.025) 4.973 3.740 ( 4.883 0.000 0.970) 4.978 3.784 ( 5.081 0.000 3.180) 5.994 3.795 ( -2.998 0.000 -2.103) 3.662 3.941 ( 0.699 0.000 -2.765) 2.852 4.023 ( 0.744 0.000 -8.380) 8.413 4.154 ( 2.865 0.000 3.172) 4.274 4.294 ( -0.507 0.000 2.460) 2.511 4.389 ( 9.840 0.000 4.704) 10.906 4.417 ( 1.243 0.000 0.590) 1.376 4.487 ( 1.746 0.000 0.969) 1.996 4.506 ( 5.456 0.000 -10.263) 11.623 4.681 ( 3.125 0.000 2.450) 3.971 4.687 ( 0.580 0.000 -4.147) 4.187 4.832 ( -1.090 0.000 1.019) 1.492 4.886 ( -2.597 0.000 -0.684) 2.685 4.952 ( -1.257 0.000 -1.526) 1.977 4.965 ( -1.246 0.000 0.550) 1.362 5.037 ( -8.251 0.000 -0.613) 8.274 5.123 ( 1.150 0.000 3.450) 3.636 5.207 ( -1.982 0.000 -0.865) 2.163 5.275 ( 1.709 0.000 -7.446) 7.640 5.359 ( -4.622 0.000 2.800) 5.404 5.370 ( 6.388 0.000 -6.903) 9.405 5.490 ( 2.833 0.000 2.650) 3.879 5.593 ( 9.734 0.000 -6.618) 11.771 5.619 ( 5.817 0.000 0.157) 5.819 5.836 ( -1.770 0.000 3.022) 3.502 5.855 ( 2.863 0.000 2.176) 3.596 5.933 ( 4.469 0.000 0.024) 4.469 5.999 ( 1.123 0.000 -5.523) 5.636 6.173 ( 0.193 0.000 -4.998) 5.002 6.237 ( -3.400 0.000 -2.768) 4.384 6.319 ( -4.138 0.000 1.776) 4.504 6.335 ( -2.234 0.000 2.665) 3.478 6.404 ( -2.771 0.000 8.348) 8.796 6.472 ( -1.760 0.000 1.673) 2.428 6.478 ( -1.821 0.000 2.937) 3.456 6.561 ( 5.104 0.000 -2.039) 5.496 6.731 ( 3.265 0.000 7.795) 8.451 6.805 ( -0.014 0.000 -1.069) 1.069 6.826 ( -4.089 0.000 -5.316) 6.707 6.952 ( -0.877 0.000 -2.236) 2.402 6.979 ( 2.930 0.000 -6.252) 6.904 6.997 ( 3.796 0.000 -4.984) 6.265 7.098 ( -2.972 0.000 5.634) 6.370 7.192 ( -1.030 0.000 6.282) 6.366 7.228 ( -2.874 0.000 0.531) 2.923 7.418 ( -2.380 0.000 8.865) 9.179 7.449 ( 3.888 0.000 -6.662) 7.714 7.497 ( 0.263 0.000 10.751) 10.754 7.613 ( -0.522 0.000 0.126) 0.537 7.759 ( 3.183 0.000 3.079) 4.428 7.848 ( 4.484 0.000 2.106) 4.954 7.893 ( 0.080 0.000 0.708) 0.713 8.105 ( -2.711 0.000 3.855) 4.713 8.284 ( 1.755 0.000 -2.829) 3.329 8.287 ( 4.012 0.000 -7.655) 8.643 8.343 ( -1.108 0.000 1.897) 2.196 8.415 ( -0.227 0.000 -1.811) 1.825 8.565 ( 0.941 0.000 -5.629) 5.707 8.645 ( 2.472 0.000 3.577) 4.348 8.705 ( 2.163 0.000 -0.639) 2.256 8.714 ( 4.046 0.000 -2.931) 4.996 8.958 ( 5.244 0.000 7.209) 8.914 9.298 ( 3.580 0.000 0.628) 3.635 9.349 ( 2.874 0.000 -5.568) 6.266 9.349 ( 5.690 0.000 8.286) 10.052 9.530 ( 4.043 0.000 -4.347) 5.937 9.624 ( 7.761 0.000 -3.553) 8.535 9.699 ( 1.354 0.000 -1.349) 1.911 9.845 ( 7.934 0.000 -11.102) 13.646 10.072 ( 3.759 0.000 0.211) 3.765 10.281 ( 7.819 0.000 -3.515) 8.572 10.465 ( -4.314 0.000 15.692) 16.274 10.752 ( -13.633 0.000 0.439) 13.640 16.531 ( 2.616 0.000 0.323) 2.636 16.609 ( 2.681 0.000 -0.742) 2.782 16.722 ( -3.018 0.000 1.090) 3.209 16.877 ( -2.462 0.000 -0.246) 2.475 17.479 ( -0.041 0.000 0.205) 0.209 17.490 ( -0.673 0.000 -0.252) 0.719 17.864 ( -0.052 0.000 -2.125) 2.126 17.911 ( 0.348 0.000 2.123) 2.152 17.999 ( -1.087 0.000 0.629) 1.256 18.041 ( -0.268 0.000 0.170) 0.318 18.086 ( -2.332 0.000 -0.924) 2.509 18.092 ( -4.426 0.000 1.816) 4.784 18.273 ( -4.933 0.000 0.681) 4.980 18.466 ( -4.541 0.000 -4.934) 6.706 18.535 ( -10.207 0.000 3.101) 10.668 18.685 ( -8.292 0.000 -2.048) 8.541 21.388 ( 0.609 0.000 0.616) 0.867 21.417 ( -0.411 0.000 -1.008) 1.089 21.495 ( 0.305 0.000 -0.520) 0.603 21.522 ( 0.189 0.000 -1.054) 1.071 21.817 ( 0.261 0.000 -0.121) 0.288 21.834 ( 0.019 0.000 -0.240) 0.240 21.853 ( -0.509 0.000 0.627) 0.808 21.861 ( -1.061 0.000 1.209) 1.608 26.768 ( 0.227 0.000 0.266) 0.350 26.794 ( -0.226 0.000 -0.068) 0.237 26.947 ( 0.286 0.000 -0.588) 0.654 26.959 ( 0.004 0.000 -0.211) 0.211 27.278 ( 2.262 0.000 0.178) 2.269 27.301 ( 2.352 0.000 -0.225) 2.363 27.328 ( 1.122 0.000 -0.206) 1.141 27.353 ( 1.112 0.000 -0.538) 1.236 34.981 ( -5.376 0.000 -2.520) 5.937 35.323 ( -3.395 0.000 6.231) 7.096 35.590 ( -2.432 0.000 -4.878) 5.451 35.919 ( 1.819 0.000 1.386) 2.287 36.236 ( 2.613 0.000 1.241) 2.892 36.289 ( -0.471 0.000 0.083) 0.478 36.995 ( -5.220 0.000 10.443) 11.675 37.103 ( -6.530 0.000 -6.169) 8.983 37.988 ( -1.280 0.000 0.283) 1.311 38.328 ( -3.556 0.000 -2.735) 4.486 38.644 ( 3.159 0.000 8.330) 8.909 38.716 ( -1.562 0.000 -1.784) 2.371 39.525 ( 4.036 0.000 -6.614) 7.748 39.562 ( 16.958 0.000 2.404) 17.127 40.156 ( 11.660 0.000 -23.878) 26.573 40.252 ( 15.538 0.000 13.115) 20.333 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 3.350 0.000 2.368) 4.103 1.473 ( -0.342 0.000 -3.345) 3.363 1.766 ( -3.682 0.000 -5.561) 6.669 2.017 ( 6.161 0.000 7.082) 9.387 2.322 ( -0.963 0.000 2.057) 2.271 2.368 ( 4.193 0.000 -2.997) 5.154 2.433 ( -3.872 0.000 -3.033) 4.919 2.467 ( -1.514 0.000 -1.925) 2.449 2.522 ( -3.590 0.000 3.705) 5.159 2.605 ( 7.266 0.000 3.442) 8.040 2.777 ( 2.222 0.000 -0.654) 2.316 2.903 ( 7.039 0.000 -0.016) 7.039 3.004 ( -4.321 0.000 -2.720) 5.106 3.171 ( -5.793 0.000 3.545) 6.792 3.313 ( -2.820 0.000 0.164) 2.825 3.368 ( -2.869 0.000 -2.871) 4.059 3.370 ( 1.357 0.000 -1.554) 2.063 3.592 ( 2.115 0.000 -0.215) 2.125 3.657 ( 1.133 0.000 0.613) 1.288 3.666 ( 1.587 0.000 3.563) 3.901 3.704 ( -3.831 0.000 1.759) 4.215 3.753 ( -1.130 0.000 -0.129) 1.137 3.761 ( 5.142 0.000 -0.740) 5.195 3.904 ( 6.939 0.000 -3.244) 7.660 3.954 ( 0.345 0.000 -5.631) 5.642 4.012 ( 4.075 0.000 3.415) 5.317 4.183 ( -0.547 0.000 -2.484) 2.543 4.390 ( 3.091 0.000 8.578) 9.118 4.451 ( 2.511 0.000 -1.002) 2.703 4.481 ( 2.709 0.000 -7.318) 7.803 4.510 ( -1.260 0.000 2.347) 2.664 4.616 ( 10.369 0.000 3.998) 11.113 4.683 ( 0.706 0.000 0.126) 0.718 4.757 ( 2.933 0.000 1.442) 3.268 4.809 ( -1.763 0.000 0.099) 1.766 4.832 ( -8.015 0.000 -4.475) 9.180 4.869 ( -0.040 0.000 -0.164) 0.168 4.945 ( -2.059 0.000 -0.313) 2.083 4.977 ( 0.407 0.000 0.254) 0.480 5.174 ( 1.863 0.000 -4.845) 5.191 5.190 ( 4.733 0.000 -0.100) 4.734 5.201 ( -3.406 0.000 -0.410) 3.431 5.289 ( -5.990 0.000 2.147) 6.364 5.399 ( 1.927 0.000 -1.580) 2.492 5.557 ( 1.552 0.000 1.365) 2.066 5.671 ( 3.963 0.000 -2.982) 4.960 5.736 ( 5.930 0.000 2.852) 6.580 5.861 ( 6.156 0.000 -1.325) 6.297 5.883 ( -2.492 0.000 -2.189) 3.317 5.946 ( -0.470 0.000 -1.923) 1.980 5.966 ( -8.028 0.000 6.342) 10.231 6.135 ( -2.227 0.000 -2.844) 3.613 6.157 ( 5.559 0.000 -2.761) 6.207 6.293 ( -3.942 0.000 -2.836) 4.856 6.300 ( -0.108 0.000 1.795) 1.799 6.438 ( -0.986 0.000 2.609) 2.789 6.471 ( -1.270 0.000 2.301) 2.628 6.481 ( 1.073 0.000 1.147) 1.570 6.607 ( 0.634 0.000 -1.646) 1.764 6.696 ( -2.778 0.000 -0.714) 2.868 6.770 ( -0.467 0.000 -2.144) 2.195 6.865 ( 1.941 0.000 2.216) 2.946 6.931 ( 0.499 0.000 0.205) 0.539 6.981 ( 3.411 0.000 -2.858) 4.450 7.023 ( 1.252 0.000 -1.044) 1.630 7.046 ( -5.549 0.000 1.834) 5.844 7.203 ( 0.334 0.000 -0.908) 0.968 7.232 ( -0.562 0.000 2.580) 2.641 7.434 ( 3.225 0.000 -4.852) 5.826 7.452 ( -3.932 0.000 5.861) 7.058 7.544 ( -2.360 0.000 3.634) 4.334 7.665 ( 3.271 0.000 0.574) 3.321 7.857 ( 1.995 0.000 5.080) 5.457 7.904 ( 0.067 0.000 0.748) 0.751 7.931 ( 2.940 0.000 -0.590) 2.999 8.122 ( -0.263 0.000 2.760) 2.772 8.266 ( 2.751 0.000 -6.167) 6.753 8.270 ( 0.305 0.000 -2.216) 2.237 8.300 ( -3.270 0.000 0.331) 3.287 8.409 ( 0.403 0.000 -0.395) 0.564 8.556 ( 1.227 0.000 -1.102) 1.649 8.707 ( 0.003 0.000 4.005) 4.005 8.726 ( 0.748 0.000 -0.056) 0.750 8.733 ( 2.511 0.000 -4.140) 4.842 9.115 ( 3.149 0.000 7.135) 7.799 9.297 ( -0.544 0.000 -6.180) 6.204 9.346 ( 0.974 0.000 1.069) 1.446 9.491 ( 2.219 0.000 1.268) 2.556 9.567 ( 3.326 0.000 1.416) 3.615 9.683 ( 0.841 0.000 -0.415) 0.938 9.734 ( 3.872 0.000 -1.203) 4.054 9.839 ( 2.895 0.000 -6.457) 7.077 10.133 ( 2.801 0.000 -0.284) 2.815 10.376 ( 8.862 0.000 -5.487) 10.423 10.487 ( -8.877 0.000 10.240) 13.552 10.561 ( -8.069 0.000 0.991) 8.130 16.574 ( 1.578 0.000 0.234) 1.595 16.646 ( 2.943 0.000 -1.360) 3.242 16.685 ( -3.021 0.000 1.504) 3.375 16.836 ( -1.556 0.000 -0.248) 1.576 17.479 ( -0.274 0.000 -0.150) 0.313 17.481 ( 0.018 0.000 0.102) 0.103 17.849 ( 0.116 0.000 -0.838) 0.846 17.934 ( 0.172 0.000 0.989) 1.004 17.988 ( -0.609 0.000 0.256) 0.660 18.036 ( 0.230 0.000 -0.598) 0.641 18.051 ( -2.455 0.000 1.596) 2.928 18.053 ( -0.694 0.000 -0.350) 0.777 18.218 ( -1.916 0.000 0.134) 1.921 18.373 ( -1.582 0.000 -2.261) 2.760 18.440 ( -3.666 0.000 1.333) 3.900 18.567 ( -3.200 0.000 -0.909) 3.327 21.402 ( 0.281 0.000 0.337) 0.439 21.404 ( -0.158 0.000 -0.359) 0.392 21.496 ( 0.176 0.000 -0.239) 0.296 21.516 ( -0.033 0.000 -0.347) 0.349 21.821 ( 0.240 0.000 -0.047) 0.245 21.833 ( -0.003 0.000 -0.062) 0.062 21.850 ( -0.236 0.000 0.177) 0.295 21.856 ( -0.469 0.000 0.367) 0.596 26.773 ( 0.094 0.000 0.115) 0.148 26.791 ( -0.069 0.000 -0.020) 0.072 26.946 ( 0.106 0.000 -0.243) 0.265 26.956 ( -0.004 0.000 -0.137) 0.138 27.307 ( 0.885 0.000 0.068) 0.887 27.329 ( 1.360 0.000 -0.501) 1.449 27.337 ( -0.082 0.000 0.311) 0.322 27.362 ( 0.459 0.000 -0.228) 0.512 34.900 ( -1.893 0.000 -0.931) 2.109 35.327 ( -1.607 0.000 2.617) 3.070 35.523 ( -0.683 0.000 -2.295) 2.394 35.944 ( 0.410 0.000 0.211) 0.461 36.289 ( 0.006 0.000 0.242) 0.242 36.297 ( 2.015 0.000 1.096) 2.294 36.964 ( -3.203 0.000 -2.852) 4.288 37.011 ( -1.689 0.000 3.413) 3.808 37.984 ( -0.035 0.000 0.313) 0.315 38.265 ( -1.366 0.000 -0.953) 1.666 38.680 ( -0.843 0.000 -0.685) 1.087 38.758 ( 1.368 0.000 4.155) 4.374 39.510 ( 1.429 0.000 -3.797) 4.057 39.788 ( 6.624 0.000 1.100) 6.715 40.115 ( 3.699 0.000 -7.702) 8.545 40.532 ( 5.408 0.000 5.145) 7.464 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 22.507 0.000) 22.507 0.543 ( 0.000 28.449 0.000) 28.449 1.061 ( 0.000 52.158 0.000) 52.158 1.787 ( 0.000 -14.143 0.000) 14.143 2.160 ( 0.000 7.131 0.000) 7.131 2.245 ( 0.000 -5.450 0.000) 5.450 2.257 ( 0.000 -8.502 0.000) 8.502 2.305 ( 0.000 5.290 0.000) 5.290 2.479 ( 0.000 7.165 0.000) 7.165 2.603 ( 0.000 2.513 0.000) 2.513 2.643 ( 0.000 6.145 0.000) 6.145 2.772 ( 0.000 9.990 0.000) 9.990 2.969 ( 0.000 -8.776 0.000) 8.776 3.091 ( 0.000 -4.931 0.000) 4.931 3.097 ( 0.000 -5.184 0.000) 5.184 3.134 ( 0.000 -1.321 0.000) 1.321 3.174 ( 0.000 -0.393 0.000) 0.393 3.292 ( 0.000 -4.040 0.000) 4.040 3.308 ( 0.000 -9.985 0.000) 9.985 3.505 ( 0.000 -2.457 0.000) 2.457 3.539 ( 0.000 3.254 0.000) 3.254 3.744 ( 0.000 2.522 0.000) 2.522 3.826 ( 0.000 -0.529 0.000) 0.529 3.856 ( 0.000 -0.507 0.000) 0.507 3.884 ( 0.000 10.351 0.000) 10.351 4.077 ( 0.000 -3.908 0.000) 3.908 4.223 ( 0.000 -0.055 0.000) 0.055 4.306 ( 0.000 1.065 0.000) 1.065 4.377 ( 0.000 0.224 0.000) 0.224 4.387 ( 0.000 -0.645 0.000) 0.645 4.463 ( 0.000 5.326 0.000) 5.326 4.581 ( 0.000 3.453 0.000) 3.453 4.688 ( 0.000 1.371 0.000) 1.371 4.735 ( 0.000 4.174 0.000) 4.174 4.899 ( 0.000 0.822 0.000) 0.822 4.923 ( 0.000 -10.155 0.000) 10.155 4.960 ( 0.000 -3.279 0.000) 3.279 4.991 ( 0.000 -4.500 0.000) 4.500 5.094 ( 0.000 -0.970 0.000) 0.970 5.097 ( 0.000 -0.676 0.000) 0.676 5.188 ( 0.000 3.708 0.000) 3.708 5.270 ( 0.000 -2.761 0.000) 2.761 5.447 ( 0.000 -1.144 0.000) 1.144 5.453 ( 0.000 3.967 0.000) 3.967 5.475 ( 0.000 -3.540 0.000) 3.540 5.532 ( 0.000 5.697 0.000) 5.697 5.579 ( 0.000 4.727 0.000) 4.727 5.699 ( 0.000 -1.655 0.000) 1.655 5.770 ( 0.000 1.524 0.000) 1.524 5.774 ( 0.000 -0.317 0.000) 0.317 5.893 ( 0.000 -0.063 0.000) 0.063 5.970 ( 0.000 1.099 0.000) 1.099 6.150 ( 0.000 -0.841 0.000) 0.841 6.259 ( 0.000 -3.390 0.000) 3.390 6.315 ( 0.000 -8.099 0.000) 8.099 6.445 ( 0.000 6.626 0.000) 6.626 6.472 ( 0.000 0.737 0.000) 0.737 6.562 ( 0.000 0.649 0.000) 0.649 6.651 ( 0.000 1.097 0.000) 1.097 6.679 ( 0.000 1.384 0.000) 1.384 6.744 ( 0.000 1.963 0.000) 1.963 6.830 ( 0.000 -2.185 0.000) 2.185 6.833 ( 0.000 1.732 0.000) 1.732 6.969 ( 0.000 4.412 0.000) 4.412 7.092 ( 0.000 -5.959 0.000) 5.959 7.123 ( 0.000 9.042 0.000) 9.042 7.179 ( 0.000 -0.631 0.000) 0.631 7.195 ( 0.000 -1.515 0.000) 1.515 7.218 ( 0.000 0.201 0.000) 0.201 7.377 ( 0.000 0.178 0.000) 0.178 7.455 ( 0.000 0.040 0.000) 0.040 7.715 ( 0.000 -7.214 0.000) 7.214 7.813 ( 0.000 1.571 0.000) 1.571 7.873 ( 0.000 2.053 0.000) 2.053 8.012 ( 0.000 1.167 0.000) 1.167 8.041 ( 0.000 -0.081 0.000) 0.081 8.106 ( 0.000 3.649 0.000) 3.649 8.152 ( 0.000 1.195 0.000) 1.195 8.275 ( 0.000 -3.603 0.000) 3.603 8.347 ( 0.000 3.900 0.000) 3.900 8.488 ( 0.000 5.197 0.000) 5.197 8.617 ( 0.000 -1.782 0.000) 1.782 8.744 ( 0.000 2.976 0.000) 2.976 8.783 ( 0.000 2.309 0.000) 2.309 8.852 ( 0.000 0.697 0.000) 0.697 8.861 ( 0.000 -2.083 0.000) 2.083 8.968 ( 0.000 -1.143 0.000) 1.143 9.076 ( 0.000 -0.994 0.000) 0.994 9.399 ( 0.000 -6.042 0.000) 6.042 9.414 ( 0.000 -5.394 0.000) 5.394 9.578 ( 0.000 -8.619 0.000) 8.619 9.730 ( 0.000 -6.195 0.000) 6.195 9.881 ( 0.000 2.822 0.000) 2.822 9.981 ( 0.000 -0.492 0.000) 0.492 10.264 ( 0.000 6.097 0.000) 6.097 11.042 ( 0.000 -7.078 0.000) 7.078 16.464 ( 0.000 1.160 0.000) 1.160 16.580 ( 0.000 -0.809 0.000) 0.809 16.816 ( 0.000 0.990 0.000) 0.990 16.928 ( 0.000 -0.832 0.000) 0.832 17.449 ( 0.000 -2.731 0.000) 2.731 17.713 ( 0.000 -7.331 0.000) 7.331 17.761 ( 0.000 -2.388 0.000) 2.388 17.918 ( 0.000 -4.793 0.000) 4.793 18.041 ( 0.000 -1.745 0.000) 1.745 18.042 ( 0.000 0.951 0.000) 0.951 18.249 ( 0.000 2.955 0.000) 2.955 18.252 ( 0.000 4.398 0.000) 4.398 18.558 ( 0.000 6.227 0.000) 6.227 18.858 ( 0.000 0.162 0.000) 0.162 18.935 ( 0.000 3.705 0.000) 3.705 19.071 ( 0.000 1.784 0.000) 1.784 21.381 ( 0.000 0.021 0.000) 0.021 21.385 ( 0.000 -0.034 0.000) 0.034 21.473 ( 0.000 0.336 0.000) 0.336 21.502 ( 0.000 -0.121 0.000) 0.121 21.805 ( 0.000 0.465 0.000) 0.465 21.825 ( 0.000 -0.091 0.000) 0.091 21.836 ( 0.000 -0.169 0.000) 0.169 21.883 ( 0.000 -0.637 0.000) 0.637 26.758 ( 0.000 0.622 0.000) 0.622 26.821 ( 0.000 1.240 0.000) 1.240 26.917 ( 0.000 -2.507 0.000) 2.507 26.956 ( 0.000 -0.727 0.000) 0.727 27.197 ( 0.000 0.734 0.000) 0.734 27.210 ( 0.000 0.337 0.000) 0.337 27.281 ( 0.000 1.158 0.000) 1.158 27.316 ( 0.000 0.381 0.000) 0.381 35.439 ( 0.000 1.742 0.000) 1.742 35.548 ( 0.000 0.361 0.000) 0.361 35.820 ( 0.000 -0.292 0.000) 0.292 35.893 ( 0.000 -1.572 0.000) 1.572 36.369 ( 0.000 2.010 0.000) 2.010 36.588 ( 0.000 -1.519 0.000) 1.519 36.634 ( 0.000 6.634 0.000) 6.634 37.449 ( 0.000 -6.669 0.000) 6.669 38.289 ( 0.000 -0.133 0.000) 0.133 38.310 ( 0.000 -1.178 0.000) 1.178 38.418 ( 0.000 3.029 0.000) 3.029 38.587 ( 0.000 -1.158 0.000) 1.158 38.609 ( 0.000 -0.189 0.000) 0.189 38.758 ( 0.000 -3.549 0.000) 3.549 39.739 ( 0.000 7.894 0.000) 7.894 40.397 ( 0.000 -4.201 0.000) 4.201 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 15.143 18.973 12.812) 27.449 0.925 ( 20.831 21.930 6.649) 30.968 1.338 ( 30.151 29.330 8.342) 42.883 1.827 ( 1.567 -4.875 4.299) 6.686 2.164 ( 6.768 5.697 -2.521) 9.199 2.267 ( 1.069 -3.061 1.281) 3.486 2.375 ( 15.119 2.031 -3.230) 15.594 2.400 ( 11.510 -6.018 -4.323) 13.689 2.465 ( 2.696 2.965 -7.840) 8.805 2.586 ( -0.130 2.724 -0.268) 2.740 2.747 ( 6.460 1.750 -0.503) 6.712 2.847 ( 4.950 0.469 0.816) 5.038 2.957 ( -8.917 -3.954 -4.439) 10.716 2.970 ( 0.618 -6.668 3.773) 7.686 3.086 ( 3.136 -2.500 -7.669) 8.654 3.201 ( 2.865 -0.392 -0.646) 2.963 3.237 ( -4.418 -5.797 2.688) 7.769 3.284 ( 0.213 -3.929 -1.470) 4.201 3.389 ( 11.218 -6.144 -0.319) 12.794 3.440 ( 2.739 -3.770 -5.924) 7.537 3.578 ( -0.495 -1.166 -0.241) 1.289 3.723 ( -0.332 1.646 0.135) 1.684 3.801 ( -0.753 -0.527 -2.305) 2.481 3.856 ( -0.711 2.744 2.606) 3.851 3.962 ( 5.958 7.538 2.345) 9.890 4.109 ( 1.238 -1.450 0.906) 2.111 4.239 ( -0.328 -0.547 2.600) 2.677 4.279 ( -3.906 -1.374 -4.287) 5.960 4.356 ( -4.853 0.165 1.296) 5.026 4.371 ( -0.203 3.621 -3.792) 5.247 4.415 ( 0.467 3.114 -0.778) 3.244 4.522 ( -0.635 1.287 2.069) 2.518 4.695 ( -3.763 5.433 2.971) 7.245 4.808 ( 3.449 -2.097 -0.063) 4.037 4.854 ( -1.956 -0.223 -5.897) 6.217 4.895 ( -1.124 -6.560 -0.196) 6.658 4.959 ( 2.133 -1.706 -2.112) 3.452 4.979 ( -1.358 -0.994 -4.397) 4.708 5.054 ( 3.654 -2.503 -0.571) 4.465 5.149 ( 1.061 0.732 3.528) 3.756 5.236 ( 0.224 0.084 4.578) 4.584 5.309 ( 5.176 -3.940 0.099) 6.506 5.364 ( 0.303 1.013 -4.566) 4.687 5.428 ( -6.145 2.909 2.572) 7.270 5.456 ( -2.550 5.755 -2.735) 6.863 5.504 ( 2.114 0.217 -3.906) 4.447 5.627 ( 3.008 0.022 -1.059) 3.189 5.693 ( -1.931 0.451 -3.300) 3.850 5.799 ( 4.760 1.558 6.343) 8.082 5.832 ( 3.287 1.432 2.047) 4.128 5.900 ( -0.273 0.070 -1.351) 1.380 6.100 ( 5.397 -0.609 5.875) 8.001 6.166 ( 0.233 -3.747 2.402) 4.457 6.251 ( 1.857 1.453 -2.900) 3.738 6.305 ( 3.291 -2.327 -0.699) 4.091 6.402 ( -2.597 5.837 5.309) 8.307 6.456 ( -0.158 1.677 -2.072) 2.671 6.532 ( -4.078 -1.337 2.294) 4.867 6.630 ( -3.792 2.750 2.943) 5.532 6.692 ( -1.717 -1.219 -3.383) 3.985 6.785 ( -1.336 0.116 3.648) 3.886 6.809 ( 0.692 -2.151 6.674) 7.047 6.865 ( -1.332 -0.445 4.302) 4.525 7.028 ( -1.568 5.021 -3.143) 6.128 7.043 ( 4.391 0.543 1.267) 4.602 7.087 ( -3.769 -3.961 3.610) 6.552 7.118 ( 1.948 2.849 -4.370) 5.568 7.191 ( -1.566 -0.706 2.059) 2.682 7.332 ( 4.024 0.138 4.437) 5.992 7.437 ( 4.468 0.064 -7.923) 9.096 7.496 ( 7.896 3.671 -1.093) 8.775 7.595 ( -5.267 8.111 -4.782) 10.788 7.697 ( -8.972 -3.232 6.455) 11.516 7.906 ( 0.182 3.601 1.612) 3.949 7.948 ( -3.769 2.454 0.543) 4.530 8.077 ( 0.630 -6.611 1.059) 6.724 8.195 ( 4.344 -0.203 3.850) 5.808 8.227 ( 3.125 -4.166 -2.384) 5.728 8.308 ( -0.235 2.383 -4.319) 4.939 8.415 ( 6.880 -0.627 -1.844) 7.150 8.552 ( 3.358 4.758 5.999) 8.361 8.579 ( -2.384 1.155 1.494) 3.041 8.715 ( -2.097 4.576 2.034) 5.429 8.765 ( -0.707 0.623 -5.123) 5.209 8.774 ( -0.589 -0.645 -1.487) 1.725 9.009 ( 1.496 -2.040 4.969) 5.575 9.058 ( 12.819 -5.037 -2.167) 13.943 9.151 ( 6.529 -1.821 1.092) 6.866 9.422 ( 4.000 -4.857 -3.214) 7.065 9.460 ( 11.609 -7.586 -14.218) 19.861 9.619 ( -1.102 -5.763 6.137) 8.490 9.827 ( 1.398 -12.079 14.316) 18.783 9.867 ( 5.016 3.605 -8.906) 10.839 9.999 ( 2.003 -1.024 1.391) 2.645 10.272 ( 3.058 5.325 -3.019) 6.842 11.018 ( -1.606 -8.168 -3.758) 9.134 16.474 ( 1.105 1.161 0.099) 1.606 16.563 ( 0.240 0.449 -1.062) 1.178 16.819 ( -0.545 1.583 -0.010) 1.674 16.924 ( -0.645 -0.779 0.209) 1.033 17.451 ( 0.207 -2.396 -0.058) 2.406 17.568 ( -4.518 2.331 -5.529) 7.511 17.780 ( -1.422 -6.768 3.376) 7.696 17.892 ( -0.711 -4.337 -2.886) 5.258 18.026 ( 0.486 0.814 -0.546) 1.094 18.046 ( -2.967 0.621 4.188) 5.170 18.226 ( -1.772 3.318 -1.131) 3.927 18.239 ( -2.368 3.274 0.491) 4.070 18.491 ( -6.283 5.433 1.795) 8.498 18.799 ( -6.240 1.164 -1.063) 6.436 18.873 ( -7.527 3.234 0.890) 8.241 19.025 ( -5.795 0.564 -0.841) 5.883 21.367 ( 0.121 0.445 0.158) 0.488 21.452 ( 2.215 -1.817 -2.238) 3.636 21.477 ( 1.441 -1.519 0.673) 2.199 21.500 ( -0.010 -0.171 -0.371) 0.409 21.816 ( -0.021 -0.302 0.550) 0.628 21.827 ( 0.098 -0.245 0.584) 0.641 21.839 ( -0.046 -0.164 0.651) 0.673 21.877 ( -1.369 -0.033 1.432) 1.982 26.761 ( 0.151 0.622 0.187) 0.667 26.818 ( -0.267 1.176 -0.165) 1.217 26.917 ( 0.108 -2.471 0.078) 2.474 26.952 ( -0.227 -0.889 -0.002) 0.917 27.207 ( 1.535 0.970 -0.162) 1.823 27.226 ( 1.671 0.377 0.159) 1.720 27.290 ( 1.172 1.040 -0.067) 1.569 27.326 ( 0.920 0.407 0.017) 1.006 35.305 ( -7.543 2.951 -3.440) 8.800 35.522 ( -8.890 8.907 -1.210) 12.642 35.745 ( -1.186 2.872 0.666) 3.178 35.802 ( -1.216 1.231 0.697) 1.866 36.263 ( -3.724 3.962 -0.728) 5.485 36.436 ( -1.167 9.007 -3.126) 9.605 36.850 ( -12.180 -6.294 27.367) 30.609 37.402 ( -4.102 -5.320 -3.337) 7.501 38.180 ( -9.188 0.065 -2.289) 9.469 38.364 ( 1.995 -1.539 0.695) 2.614 38.541 ( -3.260 -3.595 1.344) 5.036 38.568 ( 9.733 -11.267 -3.523) 15.300 38.855 ( 17.434 -0.171 1.756) 17.523 39.055 ( 30.148 -8.427 4.556) 31.633 39.666 ( -3.484 12.147 -1.312) 12.704 40.360 ( 21.765 0.641 -39.161) 44.808 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 13.460 20.867 9.380) 26.544 1.270 ( 12.783 15.467 11.848) 23.302 1.806 ( 10.132 7.503 3.827) 13.176 1.951 ( 3.683 0.733 5.680) 6.810 2.282 ( -2.511 -0.101 3.751) 4.515 2.299 ( 9.511 3.815 -13.269) 16.766 2.337 ( 2.789 -0.031 -3.356) 4.364 2.482 ( -0.033 -3.886 -10.639) 11.326 2.591 ( -2.333 0.860 2.119) 3.267 2.639 ( 17.696 -6.943 -2.615) 19.189 2.751 ( -2.823 -2.551 -4.718) 6.061 2.805 ( 0.825 -2.452 -2.405) 3.532 2.956 ( 6.594 -2.622 1.023) 7.170 3.098 ( 4.576 0.632 0.257) 4.627 3.172 ( 9.224 -4.746 2.961) 10.788 3.212 ( 10.346 2.354 -3.334) 11.122 3.256 ( 6.232 3.356 -2.710) 7.579 3.318 ( 4.720 0.007 1.206) 4.872 3.459 ( 5.001 -6.684 -2.096) 8.607 3.492 ( 2.735 -6.980 -0.420) 7.509 3.596 ( 3.611 1.158 1.333) 4.020 3.742 ( 0.474 1.455 1.075) 1.870 3.769 ( 0.196 -0.523 -1.528) 1.627 3.864 ( -2.569 4.820 1.744) 5.734 4.064 ( -0.342 5.390 -0.606) 5.435 4.098 ( -3.863 -1.480 1.589) 4.432 4.141 ( -1.609 -1.213 -2.291) 3.051 4.209 ( -0.950 2.624 -0.712) 2.880 4.312 ( -1.559 -0.543 -0.091) 1.653 4.372 ( 1.659 -0.433 1.017) 1.994 4.472 ( 7.291 2.736 -2.581) 8.204 4.556 ( 2.994 1.860 -2.860) 4.539 4.655 ( -4.003 2.298 2.681) 5.338 4.741 ( -0.356 -1.073 -8.267) 8.344 4.840 ( -1.436 -7.490 2.750) 8.107 4.853 ( -0.089 -4.146 -2.283) 4.734 4.905 ( -1.712 4.827 -0.567) 5.153 5.033 ( 2.780 -2.130 1.063) 3.660 5.069 ( -0.858 0.946 -0.985) 1.612 5.187 ( -3.924 0.873 3.905) 5.605 5.279 ( -0.761 1.026 -1.322) 1.838 5.322 ( -3.229 3.028 -0.826) 4.503 5.350 ( 2.485 1.901 0.041) 3.129 5.403 ( 2.268 -5.990 0.243) 6.410 5.442 ( 7.447 6.389 -4.882) 10.959 5.513 ( 3.800 4.628 -2.781) 6.603 5.653 ( 2.184 3.046 -3.241) 4.955 5.700 ( 5.446 -2.075 -0.099) 5.829 5.814 ( -0.542 -0.262 -1.370) 1.496 5.907 ( 1.592 1.694 2.922) 3.734 5.995 ( 4.318 -3.526 1.041) 5.671 6.163 ( -0.358 -1.532 1.578) 2.229 6.215 ( 5.228 1.486 -0.027) 5.436 6.262 ( -0.220 0.093 0.458) 0.517 6.374 ( -4.199 -2.637 -2.007) 5.349 6.395 ( 1.962 -0.657 4.926) 5.343 6.495 ( 3.005 -0.043 5.492) 6.260 6.507 ( -2.782 -0.787 0.783) 2.995 6.592 ( -3.354 2.675 -2.896) 5.176 6.612 ( -1.737 5.352 6.378) 8.505 6.802 ( -0.167 1.916 2.798) 3.395 6.873 ( -2.459 -4.015 0.354) 4.721 6.941 ( 3.231 -0.097 5.894) 6.722 6.996 ( 0.544 0.054 -2.107) 2.177 7.047 ( 2.281 -2.022 -3.817) 4.884 7.080 ( 0.520 2.636 -4.202) 4.987 7.143 ( -0.794 -2.707 7.152) 7.688 7.213 ( -0.567 0.815 3.170) 3.321 7.369 ( -1.438 2.348 -4.810) 5.542 7.443 ( 1.958 2.133 7.312) 7.864 7.494 ( 0.951 1.944 -5.664) 6.063 7.628 ( -3.717 1.275 5.390) 6.670 7.671 ( 4.888 1.990 2.688) 5.922 7.874 ( -3.380 2.047 -1.321) 4.166 7.912 ( 0.061 3.489 0.780) 3.575 8.116 ( -0.214 -1.100 4.103) 4.254 8.243 ( 3.513 -2.383 -4.417) 6.126 8.266 ( 1.857 0.128 -4.879) 5.222 8.324 ( 4.921 0.293 3.609) 6.110 8.469 ( 1.845 -3.973 0.507) 4.410 8.491 ( -1.878 1.748 -2.279) 3.432 8.653 ( -2.096 0.507 -7.143) 7.462 8.690 ( 2.378 3.603 1.302) 4.509 8.743 ( 2.457 3.264 -0.817) 4.166 8.843 ( 5.661 3.891 5.541) 8.825 9.114 ( 3.808 -5.189 5.630) 8.551 9.203 ( 6.436 -2.409 -0.080) 6.873 9.270 ( 5.990 -3.118 -0.649) 6.784 9.471 ( 6.684 -3.126 -4.346) 8.564 9.499 ( 8.283 -4.703 -8.231) 12.589 9.650 ( 0.643 -3.764 0.993) 3.945 9.866 ( 6.697 3.102 -9.864) 12.320 9.963 ( 2.072 -6.248 4.532) 7.992 10.121 ( 3.694 -6.016 9.958) 12.207 10.315 ( 4.760 1.919 -0.493) 5.156 10.901 ( -8.024 -6.535 -2.410) 10.625 16.503 ( 2.163 1.387 0.204) 2.578 16.577 ( 1.990 0.190 -0.436) 2.046 16.792 ( -2.317 2.533 -0.023) 3.433 16.908 ( -1.546 -0.646 0.064) 1.677 17.452 ( 0.106 -1.568 -0.306) 1.601 17.493 ( -1.238 -0.712 -1.042) 1.767 17.792 ( -0.331 -7.508 1.820) 7.733 17.846 ( -0.535 -4.586 -3.286) 5.668 18.019 ( -2.182 0.510 1.484) 2.688 18.049 ( -0.775 0.140 2.172) 2.310 18.171 ( -3.150 2.248 -1.203) 4.053 18.179 ( -5.245 1.905 0.765) 5.633 18.406 ( -5.845 5.082 1.528) 7.894 18.655 ( -7.257 2.981 -3.105) 8.437 18.722 ( -11.485 2.639 2.139) 11.976 18.875 ( -9.427 0.938 -1.732) 9.631 21.376 ( 0.532 0.373 0.369) 0.747 21.439 ( -0.174 0.038 -1.583) 1.593 21.494 ( 0.024 -0.385 -0.401) 0.556 21.504 ( 1.064 -1.975 -0.684) 2.345 21.816 ( 0.090 -0.015 -0.149) 0.175 21.833 ( 0.245 -0.247 -0.129) 0.371 21.847 ( -0.359 -0.219 1.198) 1.270 21.870 ( -1.292 0.176 1.369) 1.891 26.767 ( 0.262 0.651 0.308) 0.766 26.811 ( -0.364 1.049 -0.152) 1.120 26.922 ( 0.421 -2.272 -0.133) 2.314 26.949 ( -0.129 -1.211 -0.109) 1.223 27.242 ( 2.513 0.797 0.065) 2.637 27.264 ( 2.526 0.381 -0.029) 2.555 27.314 ( 1.622 0.826 -0.223) 1.833 27.343 ( 1.187 0.415 -0.309) 1.295 35.151 ( -7.113 3.082 -2.514) 8.149 35.396 ( -7.138 6.154 4.020) 10.247 35.699 ( -2.289 1.112 -3.894) 4.651 35.859 ( 2.781 0.932 3.527) 4.587 36.228 ( -0.680 3.006 0.324) 3.099 36.390 ( -1.430 7.697 -1.243) 7.927 36.902 ( -7.905 -5.681 15.185) 18.038 37.262 ( -6.621 -3.202 -4.618) 8.684 38.051 ( -4.222 1.366 -0.672) 4.488 38.397 ( -0.861 -2.700 -2.693) 3.910 38.489 ( -1.626 -2.273 6.114) 6.723 38.633 ( 2.315 -10.466 -2.220) 10.946 39.212 ( 21.194 0.437 1.331) 21.241 39.593 ( 17.908 -7.420 0.552) 19.392 39.658 ( 12.949 8.054 0.124) 15.250 40.309 ( 13.974 3.598 -25.402) 29.214 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 4.948 17.944 4.431) 19.134 1.558 ( 9.511 7.288 2.949) 12.340 1.879 ( -1.587 6.997 -0.383) 7.185 1.982 ( -2.843 3.178 -1.414) 4.492 2.209 ( 3.782 -6.439 -4.562) 8.750 2.282 ( 0.837 -3.448 0.599) 3.598 2.405 ( 3.199 0.764 0.073) 3.290 2.457 ( 5.655 1.077 -0.873) 5.823 2.583 ( -3.063 -4.637 -0.337) 5.568 2.610 ( -7.211 1.069 1.405) 7.424 2.730 ( 3.397 -3.026 -5.225) 6.928 2.831 ( 2.387 2.003 -1.841) 3.619 3.056 ( 1.796 -1.813 2.517) 3.584 3.184 ( 0.004 -1.392 -1.837) 2.305 3.257 ( 0.393 -5.242 2.510) 5.825 3.330 ( 2.694 -1.388 -1.342) 3.315 3.381 ( 3.533 -3.225 -0.014) 4.784 3.478 ( 15.065 0.281 -1.075) 15.106 3.557 ( 6.607 -6.308 -3.056) 9.633 3.631 ( 9.458 4.348 -0.800) 10.440 3.644 ( 3.844 -1.323 2.622) 4.838 3.740 ( -4.363 0.411 1.390) 4.598 3.785 ( 0.964 1.298 0.790) 1.799 3.851 ( 5.387 6.307 1.114) 8.369 3.971 ( -3.276 1.598 -3.945) 5.371 4.060 ( -0.171 3.136 -3.219) 4.498 4.152 ( 3.667 0.977 4.665) 6.013 4.279 ( -0.112 0.624 1.994) 2.092 4.319 ( 5.007 -4.757 1.310) 7.029 4.410 ( 1.577 -0.708 -0.300) 1.754 4.498 ( 2.175 -0.825 -7.596) 7.944 4.593 ( 6.144 5.444 0.013) 8.209 4.669 ( 0.140 -1.303 2.803) 3.095 4.682 ( 1.277 0.500 -4.493) 4.698 4.798 ( -2.303 -4.327 -0.496) 4.927 4.863 ( -1.024 -1.969 1.169) 2.508 4.908 ( 1.192 1.107 1.182) 2.011 5.030 ( -2.927 3.310 0.470) 4.444 5.048 ( -3.549 -0.585 -0.745) 3.673 5.138 ( 0.735 2.768 3.190) 4.287 5.235 ( -2.210 3.801 -1.183) 4.553 5.307 ( 0.888 4.076 -2.999) 5.138 5.370 ( 0.779 0.278 -3.008) 3.120 5.417 ( -0.291 0.207 3.296) 3.316 5.518 ( 2.440 3.416 -3.380) 5.390 5.600 ( 10.520 1.806 -2.622) 10.991 5.658 ( 4.156 3.810 -4.392) 7.146 5.774 ( -1.674 -5.893 2.542) 6.632 5.858 ( 5.139 0.328 1.983) 5.518 5.930 ( 2.113 0.868 -0.133) 2.288 6.017 ( 0.794 -0.980 -1.942) 2.316 6.161 ( -1.219 1.381 -4.092) 4.488 6.189 ( -0.891 -2.947 -1.543) 3.444 6.318 ( 0.063 -0.230 -0.340) 0.415 6.341 ( -2.079 1.590 2.748) 3.795 6.413 ( -4.486 -1.574 3.026) 5.635 6.456 ( -1.379 0.281 0.224) 1.425 6.538 ( 0.547 0.647 0.507) 0.988 6.602 ( 4.198 2.351 4.045) 6.286 6.695 ( -0.159 -0.482 3.261) 3.300 6.786 ( -2.951 0.864 -0.097) 3.076 6.859 ( 2.143 1.803 -0.579) 2.860 6.945 ( -0.024 -1.073 -0.341) 1.126 6.980 ( 2.892 1.580 -8.340) 8.967 7.055 ( 0.514 2.765 -2.034) 3.471 7.121 ( -0.614 1.625 6.053) 6.297 7.174 ( -2.985 -3.635 4.264) 6.348 7.203 ( -3.998 0.675 3.750) 5.522 7.348 ( -0.301 -3.815 2.909) 4.807 7.459 ( 2.456 -0.315 -4.644) 5.263 7.568 ( 2.717 2.235 6.245) 7.167 7.602 ( -1.913 0.407 1.468) 2.446 7.773 ( 3.062 3.722 0.214) 4.824 7.853 ( 1.168 -0.215 2.746) 2.992 7.953 ( 2.628 6.173 2.146) 7.044 8.135 ( -1.657 3.198 3.247) 4.849 8.245 ( 1.814 -2.606 -3.869) 5.005 8.261 ( 3.172 -1.755 -5.142) 6.291 8.407 ( 0.604 2.984 1.090) 3.234 8.446 ( 0.324 1.739 0.118) 1.773 8.525 ( -0.108 -2.053 -3.604) 4.149 8.577 ( 4.822 -4.752 -1.863) 7.022 8.731 ( 1.502 3.918 0.597) 4.238 8.764 ( 1.907 1.939 -2.076) 3.422 9.004 ( 4.682 4.289 6.114) 8.815 9.243 ( 5.014 -8.956 2.738) 10.623 9.285 ( 2.923 -1.741 0.691) 3.472 9.322 ( 2.462 -4.195 -0.921) 4.951 9.528 ( 3.285 -0.244 -1.539) 3.636 9.586 ( 9.029 -2.679 -3.668) 10.108 9.668 ( 1.960 -3.017 -1.223) 3.800 9.867 ( 4.710 1.112 -8.330) 9.634 10.049 ( 5.399 -2.084 0.164) 5.790 10.251 ( 5.290 -3.809 0.638) 6.550 10.410 ( -0.568 -3.444 8.787) 9.455 10.715 ( -11.872 -4.149 0.080) 12.577 16.549 ( 2.825 1.730 0.373) 3.333 16.613 ( 2.769 0.326 -0.545) 2.841 16.749 ( -2.992 2.447 0.525) 3.901 16.872 ( -2.416 -0.536 -0.265) 2.489 17.445 ( -0.420 -1.728 -0.489) 1.844 17.481 ( 0.029 -1.375 0.019) 1.375 17.803 ( -0.017 -6.797 -0.786) 6.842 17.812 ( -0.071 -6.743 -0.664) 6.776 17.993 ( -2.440 -0.296 1.295) 2.779 18.052 ( -1.890 -1.185 1.654) 2.776 18.099 ( -3.406 1.316 -0.714) 3.721 18.108 ( -3.822 1.198 1.142) 4.165 18.332 ( -4.206 5.653 0.579) 7.069 18.513 ( -4.150 4.372 -4.740) 7.668 18.565 ( -9.777 2.760 3.263) 10.670 18.703 ( -7.926 1.585 -1.809) 8.282 21.391 ( 0.664 0.334 0.502) 0.897 21.420 ( -0.274 0.352 -1.024) 1.117 21.490 ( 0.095 -0.524 -0.481) 0.718 21.506 ( 0.171 -1.489 -0.552) 1.597 21.818 ( 0.370 0.166 -0.122) 0.424 21.835 ( 0.194 0.020 -0.187) 0.271 21.850 ( -0.484 -0.160 0.697) 0.864 21.863 ( -1.004 0.081 0.860) 1.325 26.775 ( 0.242 0.725 0.298) 0.821 26.804 ( -0.234 0.971 -0.068) 1.001 26.927 ( 0.379 -1.914 -0.275) 1.971 26.944 ( -0.143 -1.440 -0.271) 1.472 27.284 ( 2.186 0.610 0.078) 2.271 27.303 ( 2.172 0.169 -0.355) 2.207 27.335 ( 0.984 0.666 -0.126) 1.195 27.359 ( 1.162 0.514 -0.286) 1.302 35.020 ( -5.197 3.964 -1.984) 6.831 35.343 ( -4.904 0.986 4.046) 6.434 35.621 ( -1.737 3.555 -3.597) 5.347 35.927 ( 1.794 0.398 1.782) 2.560 36.237 ( 0.766 1.710 0.430) 1.922 36.375 ( 0.321 7.427 0.813) 7.479 36.909 ( -4.842 -7.137 5.495) 10.226 37.109 ( -6.265 -0.994 -1.995) 6.649 38.012 ( -0.796 2.525 0.519) 2.698 38.314 ( -3.225 -1.309 -2.637) 4.367 38.569 ( 0.195 -6.760 4.682) 8.225 38.644 ( 1.646 -7.211 1.202) 7.494 39.518 ( 12.323 0.627 -4.398) 13.099 39.666 ( 8.415 8.223 -0.783) 11.791 40.031 ( 18.301 -6.809 -7.779) 21.020 40.335 ( 7.968 2.936 -0.325) 8.498 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.626 7.311 -0.538) 7.357 1.659 ( 1.999 14.713 0.329) 14.852 1.726 ( -3.493 -1.513 -6.622) 7.638 2.081 ( 4.049 5.043 5.218) 8.310 2.240 ( 2.130 -6.516 0.327) 6.863 2.319 ( 2.035 -5.673 0.672) 6.064 2.428 ( 0.185 0.167 -2.569) 2.581 2.476 ( -6.726 2.453 -0.409) 7.171 2.534 ( -0.367 0.238 -0.390) 0.586 2.631 ( 6.053 3.517 5.843) 9.118 2.768 ( 3.811 -0.138 -1.291) 4.026 2.885 ( 3.969 -1.421 -1.097) 4.356 3.046 ( -0.869 3.182 -1.126) 3.486 3.115 ( -7.585 -6.389 1.040) 9.972 3.259 ( -0.327 -1.519 2.797) 3.200 3.329 ( 0.750 -4.201 -3.394) 5.452 3.362 ( -2.383 -3.134 -1.513) 4.218 3.567 ( 0.374 -3.369 -0.845) 3.493 3.578 ( 0.112 -6.966 -2.735) 7.485 3.692 ( -2.091 2.451 3.393) 4.679 3.713 ( 4.934 0.730 2.279) 5.484 3.810 ( -0.071 2.490 -1.994) 3.190 3.829 ( 2.591 4.240 4.522) 6.719 3.868 ( 3.088 0.765 -7.373) 8.030 4.011 ( 3.077 6.775 3.899) 8.401 4.060 ( 2.935 3.361 -2.681) 5.206 4.204 ( -0.327 0.499 -2.038) 2.124 4.326 ( 1.883 -2.096 4.303) 5.144 4.395 ( 0.775 -4.232 -1.298) 4.494 4.467 ( 2.853 -2.840 1.513) 4.300 4.490 ( 5.513 -2.982 -0.127) 6.269 4.647 ( -3.219 -1.355 -1.215) 3.698 4.681 ( 1.335 0.555 -0.931) 1.720 4.706 ( 4.549 -1.953 0.311) 4.961 4.763 ( -2.031 1.558 0.815) 2.686 4.856 ( -0.839 -0.824 1.431) 1.852 4.913 ( -0.331 1.446 -1.310) 1.979 4.956 ( -4.043 2.072 -1.304) 4.726 5.034 ( 0.867 4.320 0.898) 4.496 5.212 ( 1.045 3.725 0.632) 3.920 5.223 ( 3.957 3.128 -0.998) 5.142 5.266 ( -1.739 7.183 0.024) 7.390 5.360 ( 0.844 -2.055 -1.454) 2.655 5.388 ( -4.184 8.289 0.072) 9.286 5.539 ( 1.801 -1.954 0.277) 2.671 5.651 ( 1.273 -0.718 -4.105) 4.358 5.730 ( 2.025 -4.300 1.758) 5.067 5.817 ( 5.821 -2.344 1.218) 6.392 5.912 ( 3.071 3.120 -1.836) 4.748 5.963 ( -1.731 1.630 0.661) 2.468 5.997 ( -4.862 1.583 2.838) 5.848 6.121 ( 2.415 1.591 -3.218) 4.327 6.160 ( 0.779 -1.982 -1.186) 2.437 6.259 ( -3.838 0.787 -3.642) 5.349 6.343 ( -0.191 -1.291 3.165) 3.424 6.365 ( -0.149 0.323 -1.442) 1.486 6.452 ( -0.958 -0.143 1.032) 1.415 6.589 ( 1.263 1.032 3.946) 4.270 6.681 ( 0.755 -5.768 0.007) 5.817 6.692 ( -0.234 7.698 0.153) 7.703 6.726 ( -2.925 3.085 -2.300) 4.833 6.847 ( -0.657 -1.007 -0.501) 1.303 6.974 ( 3.927 -2.437 -4.107) 6.183 7.000 ( 3.189 5.417 1.559) 6.476 7.052 ( -0.801 3.831 1.733) 4.280 7.092 ( -4.549 4.091 0.715) 6.160 7.149 ( -1.098 -4.673 0.667) 4.847 7.217 ( -0.728 -0.986 3.254) 3.478 7.352 ( -0.773 -7.528 -1.345) 7.687 7.464 ( 0.782 2.731 0.204) 2.848 7.570 ( -1.315 1.690 0.436) 2.185 7.690 ( 3.178 -4.254 2.560) 5.895 7.803 ( 0.976 -1.319 0.138) 1.647 7.929 ( 1.534 6.382 3.631) 7.502 8.005 ( 1.384 5.931 0.142) 6.092 8.143 ( -0.115 2.202 0.252) 2.220 8.225 ( -0.035 -3.557 -1.303) 3.788 8.258 ( 1.346 0.560 -2.400) 2.808 8.405 ( -0.833 3.563 0.643) 3.715 8.418 ( -0.241 3.971 -3.142) 5.070 8.521 ( 1.418 -3.270 -0.217) 3.571 8.672 ( 3.159 -3.784 2.930) 5.735 8.752 ( -0.317 3.468 0.157) 3.486 8.756 ( 0.938 1.377 -2.758) 3.222 9.119 ( 1.737 0.301 4.667) 4.989 9.265 ( 1.142 -2.831 -5.047) 5.899 9.323 ( 0.363 -2.698 1.593) 3.154 9.395 ( 2.610 -10.595 2.311) 11.154 9.555 ( 1.011 0.662 0.076) 1.211 9.647 ( 0.899 -3.274 -0.596) 3.447 9.728 ( 5.371 -0.841 -0.791) 5.494 9.841 ( 0.738 -0.264 -4.567) 4.634 10.127 ( 3.375 -0.451 -0.664) 3.469 10.339 ( 5.787 -3.912 -2.345) 7.369 10.447 ( -2.810 -3.064 5.103) 6.583 10.538 ( -9.213 -2.708 1.917) 9.792 16.595 ( 1.714 2.033 0.241) 2.670 16.653 ( 2.591 0.615 -0.748) 2.766 16.707 ( -2.611 2.201 0.818) 3.511 16.831 ( -1.621 -0.562 -0.248) 1.733 17.434 ( -0.233 -2.187 -0.222) 2.210 17.484 ( 0.131 -0.888 0.077) 0.901 17.786 ( 0.059 -6.045 -1.032) 6.133 17.819 ( 0.050 -8.733 0.473) 8.746 17.970 ( -1.141 -1.001 0.451) 1.584 18.022 ( -1.874 -1.622 0.698) 2.575 18.055 ( -1.379 0.164 -0.093) 1.391 18.086 ( -0.538 1.081 0.579) 1.339 18.283 ( -1.655 6.010 0.022) 6.234 18.427 ( -1.250 5.103 -2.201) 5.697 18.478 ( -3.533 3.213 1.451) 4.991 18.593 ( -3.003 2.179 -0.808) 3.798 21.405 ( 0.265 0.345 0.148) 0.460 21.410 ( -0.043 0.541 -0.206) 0.581 21.487 ( 0.047 -0.825 -0.252) 0.864 21.502 ( -0.043 -1.270 -0.213) 1.288 21.824 ( 0.310 0.298 -0.049) 0.433 21.836 ( 0.112 0.278 -0.077) 0.310 21.847 ( -0.301 -0.208 0.214) 0.424 21.856 ( -0.465 -0.004 0.298) 0.553 26.780 ( 0.074 0.747 0.106) 0.758 26.802 ( -0.040 1.011 0.019) 1.012 26.928 ( 0.106 -1.724 -0.181) 1.736 26.940 ( -0.035 -1.575 -0.126) 1.581 27.310 ( 0.794 0.323 -0.043) 0.858 27.326 ( 0.989 -0.130 -0.269) 1.033 27.343 ( 0.145 0.636 0.026) 0.653 27.373 ( 0.560 0.817 -0.031) 0.991 34.944 ( -1.876 4.388 -0.749) 4.831 35.315 ( -1.840 -1.473 1.462) 2.774 35.574 ( -0.586 5.114 -1.372) 5.327 35.958 ( 0.519 0.780 0.438) 1.034 36.250 ( 0.274 0.062 0.100) 0.298 36.410 ( 1.326 7.986 1.328) 8.204 36.857 ( -2.634 -8.090 -0.980) 8.565 37.036 ( -2.232 -0.347 1.145) 2.532 38.016 ( 0.173 3.389 0.435) 3.421 38.255 ( -1.237 -0.808 -0.934) 1.748 38.573 ( -0.696 -8.586 0.029) 8.614 38.711 ( 1.217 -6.403 2.912) 7.139 39.553 ( 2.102 4.438 -3.966) 6.312 39.833 ( 5.965 4.395 1.040) 7.482 40.112 ( 4.694 -0.315 -6.181) 7.767 40.502 ( 4.156 -3.263 4.416) 6.887 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 19.977 0.000) 19.977 1.079 ( 0.000 27.576 0.000) 27.576 1.474 ( 0.000 -13.090 0.000) 13.090 1.921 ( 0.000 25.413 0.000) 25.413 2.004 ( 0.000 -18.297 0.000) 18.297 2.133 ( 0.000 -3.913 0.000) 3.913 2.349 ( 0.000 12.110 0.000) 12.110 2.449 ( 0.000 12.686 0.000) 12.686 2.607 ( 0.000 7.860 0.000) 7.860 2.706 ( 0.000 6.292 0.000) 6.292 2.740 ( 0.000 1.990 0.000) 1.990 2.843 ( 0.000 -2.479 0.000) 2.479 2.889 ( 0.000 -0.595 0.000) 0.595 2.944 ( 0.000 -9.402 0.000) 9.402 2.997 ( 0.000 -2.754 0.000) 2.754 3.076 ( 0.000 -8.506 0.000) 8.506 3.133 ( 0.000 1.669 0.000) 1.669 3.235 ( 0.000 1.889 0.000) 1.889 3.266 ( 0.000 0.968 0.000) 0.968 3.490 ( 0.000 2.475 0.000) 2.475 3.608 ( 0.000 3.489 0.000) 3.489 3.668 ( 0.000 -11.420 0.000) 11.420 3.799 ( 0.000 -2.340 0.000) 2.340 3.893 ( 0.000 3.864 0.000) 3.864 3.941 ( 0.000 -8.392 0.000) 8.392 4.033 ( 0.000 1.004 0.000) 1.004 4.264 ( 0.000 4.695 0.000) 4.695 4.358 ( 0.000 3.536 0.000) 3.536 4.390 ( 0.000 1.244 0.000) 1.244 4.392 ( 0.000 1.328 0.000) 1.328 4.526 ( 0.000 0.180 0.000) 0.180 4.534 ( 0.000 -7.066 0.000) 7.066 4.690 ( 0.000 -0.837 0.000) 0.837 4.771 ( 0.000 -0.418 0.000) 0.418 4.845 ( 0.000 4.862 0.000) 4.862 4.864 ( 0.000 -3.173 0.000) 3.173 4.884 ( 0.000 -3.520 0.000) 3.520 4.962 ( 0.000 -0.166 0.000) 0.166 5.079 ( 0.000 -2.016 0.000) 2.016 5.127 ( 0.000 2.910 0.000) 2.910 5.169 ( 0.000 -6.837 0.000) 6.837 5.294 ( 0.000 6.376 0.000) 6.376 5.386 ( 0.000 -5.290 0.000) 5.290 5.419 ( 0.000 -0.207 0.000) 0.207 5.614 ( 0.000 3.521 0.000) 3.521 5.615 ( 0.000 9.765 0.000) 9.765 5.638 ( 0.000 1.971 0.000) 1.971 5.732 ( 0.000 3.485 0.000) 3.485 5.766 ( 0.000 0.789 0.000) 0.789 5.790 ( 0.000 0.460 0.000) 0.460 5.888 ( 0.000 -0.546 0.000) 0.546 5.972 ( 0.000 -2.234 0.000) 2.234 6.067 ( 0.000 -6.158 0.000) 6.158 6.157 ( 0.000 -7.092 0.000) 7.092 6.295 ( 0.000 5.919 0.000) 5.919 6.492 ( 0.000 0.216 0.000) 0.216 6.567 ( 0.000 0.934 0.000) 0.934 6.574 ( 0.000 6.015 0.000) 6.015 6.602 ( 0.000 -3.047 0.000) 3.047 6.707 ( 0.000 0.846 0.000) 0.846 6.758 ( 0.000 -4.979 0.000) 4.979 6.812 ( 0.000 -0.516 0.000) 0.516 6.865 ( 0.000 3.774 0.000) 3.774 7.013 ( 0.000 -2.946 0.000) 2.946 7.088 ( 0.000 6.478 0.000) 6.478 7.164 ( 0.000 -1.592 0.000) 1.592 7.195 ( 0.000 2.933 0.000) 2.933 7.215 ( 0.000 1.587 0.000) 1.587 7.298 ( 0.000 7.528 0.000) 7.528 7.302 ( 0.000 -4.297 0.000) 4.297 7.473 ( 0.000 -0.958 0.000) 0.958 7.551 ( 0.000 -9.623 0.000) 9.623 7.874 ( 0.000 3.874 0.000) 3.874 7.905 ( 0.000 0.960 0.000) 0.960 8.036 ( 0.000 2.119 0.000) 2.119 8.103 ( 0.000 -1.723 0.000) 1.723 8.112 ( 0.000 4.985 0.000) 4.985 8.168 ( 0.000 2.597 0.000) 2.597 8.199 ( 0.000 -4.594 0.000) 4.594 8.458 ( 0.000 2.947 0.000) 2.947 8.552 ( 0.000 -2.200 0.000) 2.200 8.599 ( 0.000 4.742 0.000) 4.742 8.821 ( 0.000 -1.020 0.000) 1.020 8.825 ( 0.000 4.238 0.000) 4.238 8.863 ( 0.000 6.467 0.000) 6.467 8.872 ( 0.000 1.961 0.000) 1.961 8.940 ( 0.000 -1.711 0.000) 1.711 9.048 ( 0.000 -1.805 0.000) 1.805 9.226 ( 0.000 -11.200 0.000) 11.200 9.278 ( 0.000 -8.802 0.000) 8.802 9.448 ( 0.000 -3.420 0.000) 3.420 9.592 ( 0.000 -7.614 0.000) 7.614 9.917 ( 0.000 1.303 0.000) 1.303 9.963 ( 0.000 -1.236 0.000) 1.236 10.421 ( 0.000 10.046 0.000) 10.046 10.861 ( 0.000 -11.313 0.000) 11.313 16.493 ( 0.000 1.762 0.000) 1.762 16.558 ( 0.000 -1.440 0.000) 1.440 16.841 ( 0.000 1.629 0.000) 1.629 16.905 ( 0.000 -1.452 0.000) 1.452 17.412 ( 0.000 -0.379 0.000) 0.379 17.564 ( 0.000 -7.510 0.000) 7.510 17.733 ( 0.000 -0.366 0.000) 0.366 17.822 ( 0.000 -4.777 0.000) 4.777 18.022 ( 0.000 -0.124 0.000) 0.124 18.045 ( 0.000 -0.430 0.000) 0.430 18.299 ( 0.000 1.950 0.000) 1.950 18.310 ( 0.000 1.633 0.000) 1.633 18.694 ( 0.000 7.056 0.000) 7.056 18.852 ( 0.000 -1.180 0.000) 1.180 19.019 ( 0.000 4.558 0.000) 4.558 19.100 ( 0.000 0.774 0.000) 0.774 21.382 ( 0.000 0.041 0.000) 0.041 21.384 ( 0.000 -0.052 0.000) 0.052 21.481 ( 0.000 0.517 0.000) 0.517 21.498 ( 0.000 -0.300 0.000) 0.300 21.816 ( 0.000 0.525 0.000) 0.525 21.822 ( 0.000 -0.109 0.000) 0.109 21.835 ( 0.000 0.172 0.000) 0.172 21.867 ( 0.000 -1.018 0.000) 1.018 26.778 ( 0.000 1.437 0.000) 1.437 26.853 ( 0.000 2.002 0.000) 2.002 26.864 ( 0.000 -2.869 0.000) 2.869 26.931 ( 0.000 -1.747 0.000) 1.747 27.211 ( 0.000 0.675 0.000) 0.675 27.217 ( 0.000 0.315 0.000) 0.315 27.305 ( 0.000 1.188 0.000) 1.188 27.323 ( 0.000 0.221 0.000) 0.221 35.481 ( 0.000 2.519 0.000) 2.519 35.549 ( 0.000 -0.467 0.000) 0.467 35.818 ( 0.000 0.228 0.000) 0.228 35.861 ( 0.000 -1.698 0.000) 1.698 36.417 ( 0.000 3.040 0.000) 3.040 36.545 ( 0.000 -2.937 0.000) 2.937 36.809 ( 0.000 11.208 0.000) 11.208 37.274 ( 0.000 -11.237 0.000) 11.237 38.287 ( 0.000 -0.080 0.000) 0.080 38.294 ( 0.000 -0.498 0.000) 0.498 38.474 ( 0.000 2.716 0.000) 2.716 38.558 ( 0.000 -1.860 0.000) 1.860 38.612 ( 0.000 0.667 0.000) 0.667 38.689 ( 0.000 -3.258 0.000) 3.258 39.921 ( 0.000 10.415 0.000) 10.415 40.284 ( 0.000 -7.577 0.000) 7.577 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 14.464 17.779 10.841) 25.354 1.218 ( 20.990 17.581 0.196) 27.381 1.612 ( 9.775 -8.700 5.242) 14.097 2.028 ( 8.190 22.342 3.507) 24.053 2.073 ( 6.536 -16.930 0.776) 18.164 2.227 ( 10.223 -1.842 1.701) 10.526 2.352 ( -2.878 9.305 5.929) 11.403 2.498 ( 8.582 6.566 -7.607) 13.215 2.581 ( 2.578 10.243 -12.095) 16.058 2.688 ( 0.249 7.332 -1.929) 7.586 2.766 ( 3.193 2.033 -1.817) 4.199 2.816 ( -0.261 -5.994 4.699) 7.621 2.893 ( -3.493 0.459 0.475) 3.555 2.944 ( -1.787 -0.825 -7.192) 7.456 2.962 ( 6.929 -7.520 -4.413) 11.137 3.099 ( 0.068 -6.294 -0.532) 6.317 3.139 ( 4.970 -6.171 -2.443) 8.291 3.233 ( 4.761 -1.730 -0.212) 5.070 3.317 ( 3.092 -2.119 -0.803) 3.833 3.467 ( 0.074 7.337 -4.296) 8.503 3.595 ( -1.538 0.810 0.364) 1.775 3.686 ( 3.922 -3.782 1.023) 5.543 3.789 ( 1.453 -1.876 -2.104) 3.171 3.910 ( 0.390 1.598 1.730) 2.387 4.022 ( 3.408 -5.843 3.634) 7.679 4.070 ( 1.982 -1.092 2.849) 3.639 4.271 ( -4.911 2.517 0.636) 5.554 4.288 ( 0.284 4.270 -4.075) 5.910 4.371 ( -2.821 1.675 -0.965) 3.420 4.419 ( 4.765 2.053 -2.863) 5.926 4.464 ( -4.977 0.677 -0.713) 5.074 4.528 ( -1.258 -1.022 3.236) 3.620 4.719 ( -3.435 -2.710 -0.674) 4.426 4.781 ( -0.804 -4.028 -4.468) 6.069 4.795 ( 4.761 -0.819 2.641) 5.506 4.846 ( -1.021 -0.846 -2.744) 3.048 4.877 ( 0.645 -0.301 -2.627) 2.721 4.993 ( 3.019 2.290 0.601) 3.837 5.097 ( -1.465 5.340 -2.451) 6.055 5.131 ( -0.554 -2.113 7.485) 7.798 5.192 ( 3.482 -7.678 0.980) 8.487 5.303 ( -0.014 3.876 1.883) 4.309 5.359 ( -1.657 -3.962 0.327) 4.308 5.415 ( 0.137 -0.988 -2.220) 2.434 5.557 ( -2.271 5.991 0.995) 6.484 5.608 ( -2.343 5.630 -0.132) 6.099 5.629 ( 2.353 2.357 -2.830) 4.371 5.724 ( -1.603 2.028 -2.682) 3.725 5.815 ( 3.094 -0.132 4.193) 5.212 5.851 ( 4.372 1.348 1.381) 4.779 5.914 ( 2.720 1.690 -1.553) 3.559 6.045 ( 3.711 -5.179 2.110) 6.711 6.102 ( 4.143 -1.595 3.066) 5.395 6.213 ( 3.286 -4.652 2.312) 6.147 6.308 ( -0.288 1.719 3.359) 3.785 6.473 ( -5.303 -1.282 -0.507) 5.479 6.499 ( -2.088 3.840 -4.136) 6.018 6.533 ( -1.985 2.068 1.464) 3.219 6.643 ( 1.138 -1.962 -0.893) 2.437 6.699 ( -0.671 3.340 2.057) 3.980 6.748 ( 2.109 -2.629 3.270) 4.696 6.825 ( -1.661 -1.996 2.070) 3.321 6.866 ( -1.907 3.401 2.848) 4.828 7.002 ( -0.294 -2.481 -1.806) 3.083 7.068 ( -2.093 0.881 2.926) 3.704 7.095 ( -1.650 2.194 -2.544) 3.743 7.164 ( -2.670 0.345 -2.920) 3.972 7.206 ( -1.209 0.714 -0.518) 1.497 7.339 ( 6.018 1.313 3.194) 6.939 7.426 ( 9.401 0.297 -1.931) 9.602 7.567 ( 5.479 1.572 4.993) 7.578 7.639 ( -0.809 -1.972 4.981) 5.418 7.714 ( -7.396 5.620 -7.306) 11.818 7.938 ( -4.519 -5.128 0.186) 6.838 7.977 ( 3.219 1.821 2.175) 4.290 8.005 ( -1.564 1.971 -2.057) 3.250 8.154 ( 2.748 -2.319 0.087) 3.597 8.199 ( 3.175 0.346 0.077) 3.195 8.325 ( 6.125 0.531 -5.021) 7.938 8.450 ( 3.321 0.225 -7.116) 7.856 8.571 ( -1.732 1.953 1.500) 3.011 8.678 ( 4.726 4.405 5.722) 8.631 8.746 ( -2.758 -1.265 -1.091) 3.224 8.796 ( -5.235 2.986 4.388) 7.455 8.822 ( -0.351 4.746 0.055) 4.759 8.979 ( 6.355 -0.559 -0.816) 6.432 9.000 ( 4.804 0.090 2.002) 5.205 9.109 ( 6.873 -2.561 0.076) 7.335 9.284 ( 7.199 -8.093 -4.914) 11.894 9.348 ( 9.927 -5.218 -3.842) 11.855 9.494 ( -1.558 -5.881 11.346) 12.874 9.613 ( 0.620 -9.742 4.913) 10.928 9.915 ( 2.673 1.739 -4.278) 5.335 9.974 ( 1.558 -1.541 -0.104) 2.194 10.413 ( 1.741 9.196 -4.033) 10.191 10.830 ( -1.071 -11.177 -4.179) 11.981 16.503 ( 1.281 1.717 -0.091) 2.144 16.558 ( 0.794 -0.871 -0.821) 1.436 16.846 ( 0.050 1.424 0.187) 1.437 16.903 ( -0.456 -1.339 0.148) 1.422 17.419 ( 0.518 -0.190 0.438) 0.705 17.548 ( -0.552 -4.424 -2.455) 5.090 17.692 ( -2.717 -1.006 -0.954) 3.050 17.798 ( -0.703 -4.956 -3.042) 5.858 18.027 ( -0.576 -0.287 1.691) 1.809 18.041 ( -2.185 -0.573 2.418) 3.309 18.272 ( -2.722 1.567 -0.638) 3.205 18.283 ( -3.418 1.178 0.201) 3.621 18.633 ( -6.847 7.735 1.638) 10.459 18.803 ( -6.158 -1.016 1.048) 6.328 18.954 ( -7.028 4.561 -0.561) 8.397 19.040 ( -6.338 0.392 -0.803) 6.401 21.377 ( 0.241 0.622 0.092) 0.673 21.413 ( 2.037 -1.524 -0.217) 2.553 21.477 ( -0.406 0.470 0.107) 0.630 21.495 ( -0.195 -0.344 -0.263) 0.475 21.817 ( 0.170 0.226 -0.197) 0.344 21.824 ( 0.227 -0.164 -0.026) 0.281 21.839 ( -0.060 0.284 0.819) 0.869 21.867 ( -0.405 -0.827 0.726) 1.172 26.780 ( 0.138 1.422 0.205) 1.443 26.846 ( -0.330 1.228 -0.473) 1.357 26.868 ( 0.031 -2.078 0.558) 2.152 26.926 ( -0.454 -1.725 -0.052) 1.785 27.224 ( 1.561 0.761 -0.101) 1.739 27.233 ( 1.690 0.273 0.130) 1.717 27.313 ( 0.933 1.156 -0.013) 1.486 27.332 ( 0.888 0.155 0.045) 0.902 35.380 ( -6.951 4.671 -2.105) 8.636 35.549 ( -4.908 -2.774 1.457) 5.823 35.807 ( -1.667 2.288 -3.024) 4.142 35.826 ( -0.519 0.958 2.606) 2.825 36.362 ( -3.534 5.856 -0.081) 6.840 36.556 ( -1.477 -0.203 1.514) 2.125 36.817 ( -4.496 6.168 8.096) 11.127 37.246 ( -2.331 -10.589 -2.243) 11.072 38.188 ( -6.910 0.964 -2.035) 7.267 38.288 ( 1.820 -4.654 -1.591) 5.244 38.458 ( -0.494 -0.643 2.208) 2.352 38.505 ( -4.638 -2.344 0.537) 5.224 38.861 ( 19.599 0.973 0.945) 19.646 38.950 ( 25.554 -3.712 1.885) 25.891 39.901 ( 0.507 12.247 -3.012) 12.622 40.291 ( 9.102 -6.924 -13.663) 17.818 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 11.738 16.208 9.076) 21.974 1.560 ( 9.735 9.192 4.113) 14.006 1.827 ( 5.595 -5.779 9.213) 12.230 2.118 ( 1.459 4.162 -0.229) 4.416 2.223 ( 4.774 -1.513 2.716) 5.697 2.351 ( -3.688 3.836 -4.053) 6.689 2.398 ( -0.963 3.895 -3.848) 5.559 2.452 ( 5.887 7.629 -9.058) 13.225 2.544 ( 0.968 -1.908 -8.576) 8.839 2.636 ( 5.981 0.558 -0.045) 6.007 2.706 ( -0.343 -1.959 -9.367) 9.576 2.786 ( -1.474 -1.352 -0.021) 2.000 2.940 ( 8.894 -0.730 3.467) 9.574 3.053 ( 9.237 -0.294 1.216) 9.321 3.093 ( 5.221 -7.462 0.129) 9.108 3.193 ( 10.387 0.164 -1.300) 10.469 3.246 ( 9.204 -3.901 -2.639) 10.339 3.288 ( 7.581 -3.566 1.418) 8.497 3.325 ( 1.647 -4.068 -4.290) 6.137 3.486 ( 5.397 4.987 0.462) 7.363 3.599 ( 3.189 -0.178 -1.279) 3.441 3.761 ( 2.384 1.882 -0.329) 3.055 3.814 ( 3.888 3.063 -2.449) 5.522 3.945 ( 1.194 -2.604 2.380) 3.724 4.048 ( -6.880 0.774 3.840) 7.917 4.104 ( -0.826 -2.292 0.375) 2.465 4.156 ( -0.403 3.250 -2.555) 4.153 4.294 ( -2.367 4.450 1.722) 5.326 4.324 ( 3.255 2.122 -3.303) 5.100 4.368 ( -3.613 0.035 -0.822) 3.705 4.493 ( 6.685 0.185 -3.509) 7.553 4.557 ( 0.236 -1.080 0.289) 1.143 4.657 ( -4.721 -4.272 -0.289) 6.374 4.706 ( -0.481 -0.952 1.415) 1.773 4.803 ( 0.714 0.445 -4.070) 4.156 4.850 ( 0.843 5.456 -2.366) 6.006 4.927 ( 3.788 -3.642 0.617) 5.291 5.006 ( -0.409 0.982 0.066) 1.065 5.063 ( -2.396 -0.711 2.236) 3.353 5.201 ( -1.659 1.680 4.609) 5.178 5.262 ( 3.079 -4.825 0.423) 5.740 5.311 ( 1.120 -2.726 1.321) 3.230 5.387 ( 1.429 1.824 -0.089) 2.319 5.392 ( -0.015 2.799 2.472) 3.734 5.565 ( -1.448 5.627 -0.373) 5.822 5.592 ( 4.863 2.292 -1.829) 5.679 5.654 ( 4.420 0.087 -3.064) 5.379 5.706 ( 1.473 2.215 -0.838) 2.789 5.837 ( 0.312 3.463 -1.232) 3.689 5.920 ( 3.405 -2.363 2.252) 4.717 5.980 ( 2.207 3.821 0.171) 4.416 6.108 ( 2.051 -3.280 0.495) 3.900 6.227 ( 5.325 -1.400 1.939) 5.837 6.281 ( 3.689 -0.107 1.575) 4.012 6.333 ( -5.579 -1.765 1.989) 6.180 6.382 ( -0.404 1.082 -0.620) 1.311 6.420 ( -1.174 -5.693 0.201) 5.816 6.498 ( -3.632 -1.945 -1.410) 4.355 6.673 ( 0.584 5.531 -0.644) 5.599 6.717 ( 0.079 5.177 5.503) 7.555 6.820 ( -1.133 -0.788 5.131) 5.313 6.854 ( -0.665 2.914 1.175) 3.211 6.910 ( 6.487 -3.948 3.237) 8.254 6.963 ( -1.287 -2.300 -2.860) 3.889 7.031 ( -0.824 -0.634 -1.996) 2.250 7.073 ( -1.425 -2.336 1.870) 3.314 7.143 ( 3.098 3.250 -0.849) 4.570 7.237 ( -0.263 0.057 4.528) 4.536 7.399 ( -2.801 -1.906 2.238) 4.060 7.452 ( -9.007 -0.097 -2.161) 9.263 7.527 ( 6.012 5.627 -4.427) 9.349 7.703 ( -0.274 4.422 0.234) 4.436 7.749 ( 9.063 4.873 4.268) 11.140 7.838 ( -1.565 -4.387 -4.239) 6.298 8.007 ( 1.082 4.346 2.004) 4.906 8.092 ( 4.124 -1.731 2.889) 5.324 8.198 ( 4.194 -2.009 -3.200) 5.645 8.281 ( 4.891 -3.386 2.182) 6.336 8.314 ( 0.219 4.385 -4.158) 6.047 8.423 ( 1.476 -2.431 -4.385) 5.227 8.518 ( -3.368 2.876 0.174) 4.433 8.681 ( -0.227 2.883 -6.459) 7.077 8.732 ( 1.225 -1.843 -0.526) 2.275 8.825 ( 0.688 6.519 0.754) 6.599 8.900 ( 2.458 -2.333 9.567) 10.150 9.039 ( 3.365 1.501 0.255) 3.694 9.138 ( 6.264 -3.838 1.301) 7.460 9.199 ( 3.375 -4.980 -0.708) 6.058 9.413 ( 12.431 -0.381 -2.310) 12.650 9.443 ( 5.904 -1.055 -2.001) 6.323 9.563 ( 0.405 -4.782 2.546) 5.433 9.761 ( 2.647 -12.505 11.836) 17.420 9.927 ( 5.891 2.416 -5.557) 8.451 10.027 ( 4.213 -3.494 1.830) 5.772 10.400 ( 2.674 6.516 -4.990) 8.632 10.738 ( -4.245 -9.830 -4.376) 11.567 16.535 ( 2.483 1.711 0.096) 3.017 16.576 ( 2.209 -0.334 -0.467) 2.282 16.835 ( -1.485 1.785 -0.231) 2.334 16.890 ( -1.308 -1.194 -0.065) 1.772 17.436 ( 0.754 0.343 0.612) 1.030 17.500 ( -1.308 0.811 -2.694) 3.102 17.658 ( -1.163 -5.289 0.602) 5.449 17.743 ( -1.105 -5.755 -3.978) 7.083 18.020 ( -3.056 -0.247 2.184) 3.764 18.034 ( -1.855 -1.186 2.743) 3.518 18.198 ( -4.800 0.751 -0.844) 4.931 18.205 ( -6.016 0.617 0.786) 6.098 18.536 ( -6.387 7.299 1.660) 9.839 18.690 ( -7.465 0.030 0.478) 7.480 18.796 ( -10.061 4.553 -0.661) 11.063 18.890 ( -9.260 0.132 -1.538) 9.388 21.387 ( 0.660 0.785 0.154) 1.037 21.430 ( 0.985 -1.099 -1.327) 1.985 21.475 ( -0.278 -0.424 0.615) 0.798 21.488 ( -0.257 -0.479 -0.379) 0.662 21.818 ( 0.294 0.193 -0.217) 0.413 21.828 ( 0.382 -0.275 -0.190) 0.508 21.847 ( -0.255 0.258 0.995) 1.059 21.867 ( -0.696 -0.471 0.810) 1.167 26.787 ( 0.298 1.424 0.350) 1.496 26.836 ( -0.370 1.261 -0.296) 1.347 26.876 ( 0.278 -2.125 0.376) 2.176 26.918 ( -0.406 -1.883 -0.096) 1.929 27.258 ( 2.435 0.811 0.012) 2.567 27.270 ( 2.459 0.222 -0.045) 2.470 27.332 ( 1.277 0.954 -0.102) 1.597 27.349 ( 1.071 0.126 -0.144) 1.088 35.240 ( -7.007 5.799 -1.509) 9.219 35.436 ( -8.366 -2.093 1.273) 8.717 35.758 ( -1.186 4.419 -1.970) 4.981 35.866 ( 1.361 -0.511 2.547) 2.933 36.325 ( -1.733 6.802 1.234) 7.127 36.530 ( -2.205 3.472 0.581) 4.154 36.820 ( -4.907 0.395 6.662) 8.284 37.151 ( -5.349 -8.391 -2.435) 10.245 38.095 ( -2.468 3.430 -0.350) 4.240 38.313 ( 1.198 -6.307 -0.318) 6.428 38.437 ( -3.536 -2.658 1.782) 4.769 38.465 ( -0.121 -5.541 -0.391) 5.556 39.240 ( 22.645 2.696 0.422) 22.809 39.424 ( 26.375 -7.160 0.491) 27.334 39.902 ( 4.455 13.409 -3.429) 14.540 40.293 ( 7.958 -5.116 -12.149) 15.398 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -2.201 7.692 0.077) 8.001 1.723 ( 4.349 6.779 5.575) 9.795 1.936 ( -1.006 -2.250 0.704) 2.563 2.079 ( -0.699 -1.290 -5.579) 5.768 2.155 ( -0.827 1.530 -9.295) 9.456 2.272 ( 0.669 8.564 3.223) 9.175 2.416 ( 4.191 2.588 -0.135) 4.927 2.465 ( -2.016 -5.436 1.594) 6.013 2.483 ( 7.238 -0.029 -3.337) 7.970 2.692 ( -0.357 -1.722 -1.664) 2.421 2.722 ( 3.341 9.548 1.304) 10.199 2.858 ( 7.123 1.184 0.180) 7.223 3.045 ( 1.288 -0.538 0.440) 1.464 3.102 ( -4.216 -3.944 0.701) 5.816 3.152 ( 0.939 -6.010 -0.102) 6.084 3.253 ( 3.955 -9.319 -1.711) 10.267 3.326 ( 1.237 -1.158 -3.326) 3.733 3.384 ( 8.589 -3.473 -1.985) 9.475 3.508 ( 8.363 -2.269 0.731) 8.696 3.589 ( 1.600 -4.510 1.097) 4.909 3.683 ( 5.522 2.149 0.927) 5.997 3.784 ( 4.373 2.990 -1.946) 5.644 3.837 ( 4.074 4.202 -3.172) 6.658 3.942 ( -2.220 -1.530 -1.583) 3.127 4.014 ( 1.016 5.961 3.690) 7.084 4.130 ( 1.572 1.819 1.402) 2.783 4.189 ( 6.852 2.677 1.123) 7.441 4.271 ( -0.484 1.364 -2.791) 3.144 4.347 ( 0.443 4.695 2.719) 5.443 4.366 ( 1.425 -2.264 -0.335) 2.696 4.488 ( -1.175 -0.127 -3.977) 4.149 4.573 ( 3.679 -3.667 -1.081) 5.305 4.609 ( -2.879 -4.977 1.789) 6.022 4.736 ( 1.850 -1.291 -2.739) 3.549 4.786 ( 0.166 2.621 0.100) 2.629 4.844 ( 3.415 4.118 -3.703) 6.507 4.960 ( -1.204 1.822 3.196) 3.871 5.027 ( -0.354 0.227 1.991) 2.035 5.057 ( -2.059 -0.507 5.040) 5.468 5.208 ( 1.509 4.180 1.204) 4.604 5.311 ( -0.487 1.412 -0.695) 1.648 5.330 ( 1.661 -5.239 1.874) 5.807 5.382 ( -0.728 0.061 0.303) 0.791 5.437 ( 1.261 7.049 0.423) 7.173 5.598 ( 5.359 4.005 -0.393) 6.701 5.612 ( 0.552 -5.155 -4.317) 6.746 5.675 ( 3.694 5.007 -2.151) 6.583 5.741 ( -0.438 0.326 -1.617) 1.707 5.888 ( 7.007 2.515 0.210) 7.447 5.965 ( 0.265 -1.126 0.615) 1.310 5.991 ( 0.884 3.687 1.241) 3.989 6.150 ( 1.273 0.144 -1.322) 1.841 6.231 ( -1.773 3.201 -1.538) 3.970 6.277 ( 1.090 -4.301 0.448) 4.459 6.356 ( -3.792 -1.367 -1.220) 4.212 6.372 ( -1.376 -1.730 2.442) 3.294 6.440 ( 2.494 -3.533 -0.046) 4.325 6.482 ( 5.259 -4.241 0.159) 6.758 6.623 ( -3.998 4.756 -1.660) 6.431 6.775 ( -0.405 3.137 3.497) 4.715 6.804 ( -2.672 1.173 2.442) 3.805 6.892 ( -2.126 -1.824 -2.216) 3.572 6.933 ( 4.170 2.528 0.435) 4.896 6.990 ( 3.093 -1.043 -0.953) 3.400 7.044 ( 1.107 -2.125 1.798) 2.996 7.120 ( 1.104 -1.890 4.807) 5.282 7.184 ( -0.488 4.471 3.065) 5.443 7.220 ( -5.700 1.921 1.369) 6.169 7.339 ( -4.544 -0.146 -0.068) 4.547 7.378 ( 1.331 -4.705 1.695) 5.176 7.574 ( 3.014 -0.324 -0.866) 3.153 7.664 ( -0.582 2.649 -4.837) 5.545 7.793 ( 1.404 1.885 -4.725) 5.278 7.948 ( 7.955 4.782 4.786) 10.443 8.069 ( 2.249 5.202 2.689) 6.273 8.160 ( 1.828 -0.591 1.293) 2.316 8.224 ( 2.432 -1.749 -1.840) 3.515 8.273 ( -0.094 6.283 -3.402) 7.145 8.381 ( 4.325 -5.751 0.386) 7.206 8.420 ( -0.020 -2.124 1.265) 2.472 8.507 ( 1.514 1.133 1.379) 2.340 8.605 ( -0.632 6.235 -5.026) 8.033 8.756 ( 2.689 -2.016 -2.531) 4.208 8.843 ( 0.912 4.926 -0.170) 5.013 9.026 ( 2.718 -10.113 5.907) 12.023 9.094 ( 2.096 2.840 1.480) 3.827 9.213 ( 0.942 -6.052 0.300) 6.132 9.231 ( 3.664 -4.185 -2.207) 5.984 9.518 ( 3.905 -0.716 0.565) 4.010 9.572 ( 1.310 0.317 3.109) 3.389 9.608 ( 8.231 -0.799 -2.289) 8.581 9.839 ( -0.073 -4.845 0.448) 4.867 10.023 ( 8.901 0.219 -2.070) 9.141 10.144 ( 5.238 -5.868 3.104) 8.456 10.399 ( 0.837 2.083 -1.044) 2.475 10.602 ( -7.607 -7.015 -1.707) 10.488 16.586 ( 3.187 1.817 0.302) 3.681 16.618 ( 3.007 0.086 -0.191) 3.014 16.796 ( -2.602 2.212 -0.134) 3.418 16.857 ( -2.286 -1.102 -0.314) 2.557 17.445 ( -0.379 1.848 -0.769) 2.037 17.468 ( 0.065 0.711 -0.096) 0.721 17.654 ( -0.386 -7.192 0.670) 7.233 17.685 ( -0.993 -6.916 -3.177) 7.675 17.988 ( -3.098 -0.128 1.748) 3.559 18.019 ( -2.924 -1.717 1.991) 3.932 18.110 ( -4.577 0.141 -0.243) 4.586 18.119 ( -4.523 -0.105 1.058) 4.646 18.458 ( -4.278 6.668 0.595) 7.945 18.582 ( -4.402 1.313 -1.401) 4.803 18.633 ( -8.348 4.514 0.420) 9.500 18.726 ( -7.403 0.361 -1.563) 7.575 21.402 ( 0.831 0.761 0.211) 1.146 21.427 ( 0.350 0.139 -1.080) 1.144 21.476 ( -0.363 -1.142 0.290) 1.233 21.479 ( -0.319 -0.871 -0.374) 1.000 21.823 ( 0.498 0.269 -0.115) 0.578 21.833 ( 0.425 -0.191 -0.146) 0.488 21.850 ( -0.461 0.183 0.628) 0.800 21.861 ( -0.757 -0.220 0.548) 0.960 26.796 ( 0.323 1.499 0.349) 1.573 26.828 ( -0.212 1.439 -0.087) 1.457 26.884 ( 0.316 -2.285 0.112) 2.310 26.910 ( -0.366 -2.034 -0.238) 2.081 27.298 ( 2.007 0.666 -0.120) 2.118 27.306 ( 1.916 0.168 -0.347) 1.955 27.349 ( 0.851 0.803 -0.091) 1.174 27.366 ( 1.148 0.124 0.033) 1.156 35.121 ( -5.139 6.237 -1.116) 8.158 35.326 ( -5.764 -2.929 0.863) 6.523 35.722 ( -1.042 6.368 -1.216) 6.567 35.912 ( 1.223 -2.367 1.665) 3.142 36.318 ( -0.689 6.555 0.615) 6.619 36.520 ( -0.261 4.855 2.340) 5.396 36.786 ( -4.369 -3.016 1.124) 5.427 37.039 ( -5.381 -6.447 -0.502) 8.413 38.088 ( 0.676 5.533 1.003) 5.664 38.287 ( -1.822 -1.478 -1.874) 3.003 38.436 ( -2.130 -6.186 1.675) 6.754 38.470 ( 1.953 -9.777 1.994) 10.168 39.563 ( 15.760 4.141 -4.029) 16.786 39.753 ( 14.673 -1.861 -4.172) 15.368 40.012 ( 10.481 6.613 -0.641) 12.410 40.320 ( 4.586 -4.383 -1.195) 6.456 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -3.162 5.154 -0.809) 6.100 1.662 ( -4.084 -1.836 -4.025) 6.021 1.912 ( -0.050 4.913 -2.583) 5.551 2.051 ( 0.531 -7.548 -0.962) 7.627 2.204 ( 6.232 3.636 3.173) 7.882 2.301 ( -1.449 4.142 -0.260) 4.396 2.452 ( 2.644 2.890 0.331) 3.931 2.515 ( -1.296 0.358 2.029) 2.434 2.570 ( 3.896 4.409 -0.829) 5.942 2.699 ( 2.990 0.891 5.199) 6.063 2.821 ( 3.519 7.335 0.299) 8.141 2.876 ( 1.302 1.359 -5.261) 5.587 2.976 ( -7.250 -5.813 -1.823) 9.470 3.105 ( 0.649 0.759 3.259) 3.408 3.202 ( 4.832 -6.122 2.185) 8.100 3.214 ( -3.461 -6.119 -2.860) 7.590 3.306 ( -0.098 -1.683 -1.673) 2.375 3.399 ( -2.369 -6.433 -2.017) 7.146 3.580 ( 1.147 0.960 0.322) 1.530 3.656 ( 4.103 -4.894 0.267) 6.391 3.693 ( -0.957 -3.117 1.269) 3.499 3.830 ( 0.430 0.547 -0.078) 0.700 3.843 ( -2.101 2.421 -1.938) 3.746 3.998 ( 10.358 4.244 -0.253) 11.197 4.107 ( 0.861 2.545 3.551) 4.453 4.142 ( -1.782 2.844 -0.080) 3.357 4.227 ( 0.569 4.322 -5.084) 6.697 4.289 ( 0.291 -4.243 0.748) 4.318 4.348 ( 0.940 3.130 0.915) 3.394 4.431 ( 5.741 -1.155 0.424) 5.871 4.477 ( 0.834 2.006 0.593) 2.252 4.552 ( -5.634 -4.740 1.347) 7.484 4.638 ( 3.506 -6.011 -0.679) 6.992 4.728 ( 1.956 2.498 -1.751) 3.624 4.769 ( -2.286 -1.906 0.080) 2.977 4.875 ( 1.045 0.884 -0.887) 1.631 4.970 ( -0.336 6.794 1.891) 7.060 5.019 ( -1.040 3.874 0.030) 4.011 5.078 ( -0.525 1.043 1.739) 2.095 5.276 ( 2.603 3.155 1.574) 4.382 5.291 ( -0.886 3.998 -1.021) 4.220 5.342 ( 0.435 -0.416 0.010) 0.602 5.426 ( 3.515 -5.806 2.221) 7.141 5.460 ( -0.224 6.469 3.070) 7.164 5.540 ( -1.730 -4.731 -6.048) 7.871 5.613 ( -1.590 7.882 -1.437) 8.168 5.682 ( -0.891 1.355 -1.985) 2.563 5.817 ( 10.055 0.664 2.376) 10.353 5.953 ( -1.494 -2.255 0.658) 2.784 5.968 ( -0.793 2.110 -2.297) 3.218 6.051 ( 0.977 4.049 2.819) 5.030 6.127 ( 1.426 2.665 -0.080) 3.024 6.204 ( -0.160 2.696 -2.824) 3.908 6.269 ( -2.531 -0.466 -2.134) 3.343 6.330 ( 2.098 -0.656 0.837) 2.352 6.348 ( -1.719 -2.714 0.924) 3.343 6.461 ( 0.720 -0.299 -0.455) 0.903 6.562 ( -0.930 -1.702 0.207) 1.951 6.564 ( 1.859 -4.739 -0.294) 5.099 6.711 ( -3.120 -2.214 -2.134) 4.381 6.845 ( -0.653 0.801 0.765) 1.286 6.877 ( -1.007 3.352 7.787) 8.538 6.934 ( 2.014 1.956 -6.526) 7.105 7.044 ( 1.385 -2.711 0.350) 3.064 7.111 ( 3.608 3.657 1.470) 5.343 7.145 ( -1.872 3.737 1.532) 4.452 7.172 ( -1.342 -3.209 4.153) 5.417 7.182 ( -2.196 4.507 1.068) 5.126 7.253 ( -2.888 -1.242 -3.802) 4.933 7.446 ( 1.999 -5.699 1.643) 6.259 7.590 ( -0.876 0.005 0.552) 1.036 7.636 ( 2.279 -2.107 -2.457) 3.959 7.769 ( 0.475 3.702 -2.385) 4.430 8.078 ( 2.609 -3.332 0.580) 4.272 8.120 ( 1.321 5.381 2.345) 6.016 8.197 ( 1.275 5.611 0.351) 5.765 8.228 ( -1.047 8.055 -2.232) 8.423 8.262 ( 1.874 1.179 0.706) 2.324 8.416 ( -0.118 -0.520 0.583) 0.790 8.440 ( 1.179 -3.277 -0.470) 3.514 8.547 ( -0.169 3.899 -0.012) 3.903 8.598 ( 2.740 -0.514 1.614) 3.221 8.748 ( 0.247 -2.053 -3.292) 3.888 8.851 ( 0.261 4.445 -0.076) 4.454 9.095 ( 0.872 -8.856 1.021) 8.958 9.153 ( 1.715 -3.618 2.604) 4.776 9.212 ( 0.058 -5.445 -0.990) 5.535 9.257 ( 0.866 -3.880 -0.496) 4.006 9.574 ( 2.232 0.107 -0.382) 2.267 9.587 ( -1.181 -1.970 2.036) 3.069 9.718 ( 4.944 0.728 -0.750) 5.054 9.819 ( -1.052 -2.130 -1.211) 2.666 10.126 ( 4.632 0.656 -1.482) 4.908 10.245 ( 4.219 -5.182 0.016) 6.682 10.401 ( 0.169 -1.434 0.709) 1.609 10.466 ( -7.423 -4.175 1.153) 8.594 16.637 ( 2.041 1.991 0.168) 2.856 16.664 ( 2.204 0.396 -0.146) 2.244 16.754 ( -2.018 2.325 0.146) 3.082 16.815 ( -1.742 -1.065 -0.223) 2.054 17.427 ( -0.338 1.899 -0.480) 1.988 17.476 ( 0.215 0.786 0.292) 0.865 17.647 ( -0.305 -7.788 -1.243) 7.893 17.655 ( -0.244 -7.840 0.270) 7.848 17.961 ( -1.316 0.031 0.662) 1.473 17.991 ( -1.605 -1.488 0.665) 2.287 18.052 ( -2.001 -0.191 0.194) 2.020 18.081 ( -1.275 -1.185 0.420) 1.790 18.410 ( -1.560 6.452 0.027) 6.638 18.522 ( 0.027 1.906 -2.555) 3.187 18.538 ( -4.372 4.540 1.984) 6.608 18.626 ( -2.704 0.785 -0.659) 2.892 21.416 ( 0.480 0.867 0.083) 0.994 21.423 ( 0.173 0.795 -0.272) 0.858 21.468 ( -0.307 -1.117 -0.245) 1.184 21.473 ( -0.201 -1.630 0.049) 1.643 21.830 ( 0.409 0.317 -0.050) 0.520 21.839 ( 0.433 -0.062 -0.099) 0.449 21.846 ( -0.513 0.166 0.245) 0.592 21.855 ( -0.450 -0.140 0.216) 0.519 26.802 ( 0.097 1.609 0.110) 1.616 26.827 ( 0.011 1.595 0.076) 1.596 26.887 ( 0.045 -2.409 -0.091) 2.411 26.903 ( -0.111 -2.137 -0.093) 2.142 27.317 ( 0.633 0.373 -0.218) 0.766 27.325 ( 0.668 -0.029 -0.198) 0.697 27.360 ( 0.368 1.014 0.037) 1.080 27.384 ( 0.581 0.130 0.115) 0.606 35.052 ( -1.878 6.472 -0.437) 6.753 35.266 ( -1.988 -3.736 0.244) 4.239 35.700 ( -0.421 7.582 -0.398) 7.605 35.939 ( 0.490 -3.230 0.562) 3.315 36.311 ( -0.345 6.342 -0.038) 6.351 36.575 ( 2.376 6.305 3.721) 7.697 36.699 ( -3.905 -5.552 -3.102) 7.463 36.977 ( -2.081 -5.939 0.606) 6.322 38.116 ( 0.865 7.189 0.750) 7.279 38.247 ( -0.788 0.393 -0.781) 1.177 38.410 ( -1.150 -7.728 -0.141) 7.814 38.526 ( 0.969 -11.883 1.849) 12.065 39.670 ( 4.030 7.412 -3.626) 9.183 39.897 ( 5.784 -0.194 -1.552) 5.992 40.133 ( 4.324 4.189 -1.417) 6.184 40.408 ( 2.463 -6.444 2.989) 7.519 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 -16.320 0.000) 16.320 1.190 ( 0.000 16.320 0.000) 16.320 1.583 ( 0.000 -24.954 0.000) 24.954 1.583 ( 0.000 24.954 0.000) 24.954 2.098 ( 0.000 -1.162 0.000) 1.162 2.098 ( 0.000 1.162 0.000) 1.162 2.574 ( 0.000 -7.783 0.000) 7.783 2.574 ( 0.000 7.783 0.000) 7.783 2.713 ( 0.000 -2.177 0.000) 2.177 2.713 ( 0.000 2.177 0.000) 2.177 2.799 ( 0.000 -5.212 0.000) 5.212 2.799 ( 0.000 5.212 0.000) 5.212 2.906 ( 0.000 -6.964 0.000) 6.964 2.906 ( 0.000 6.964 0.000) 6.964 2.966 ( 0.000 -7.527 0.000) 7.527 2.966 ( 0.000 7.527 0.000) 7.527 3.235 ( 0.000 -6.599 0.000) 6.599 3.235 ( 0.000 6.599 0.000) 6.599 3.339 ( 0.000 -12.282 0.000) 12.282 3.339 ( 0.000 12.282 0.000) 12.282 3.614 ( 0.000 -5.430 0.000) 5.430 3.614 ( 0.000 5.430 0.000) 5.430 3.786 ( 0.000 -3.453 0.000) 3.453 3.786 ( 0.000 3.453 0.000) 3.453 3.983 ( 0.000 -4.841 0.000) 4.841 3.983 ( 0.000 4.841 0.000) 4.841 4.359 ( 0.000 -4.848 0.000) 4.848 4.359 ( 0.000 4.848 0.000) 4.848 4.406 ( 0.000 -0.277 0.000) 0.277 4.406 ( 0.000 0.277 0.000) 0.277 4.485 ( 0.000 -3.233 0.000) 3.233 4.485 ( 0.000 3.233 0.000) 3.233 4.761 ( 0.000 -7.657 0.000) 7.657 4.761 ( 0.000 7.657 0.000) 7.657 4.805 ( 0.000 -3.131 0.000) 3.131 4.805 ( 0.000 3.131 0.000) 3.131 4.969 ( 0.000 -6.127 0.000) 6.127 4.969 ( 0.000 6.127 0.000) 6.127 5.023 ( 0.000 -1.645 0.000) 1.645 5.023 ( 0.000 1.645 0.000) 1.645 5.256 ( 0.000 -6.987 0.000) 6.987 5.256 ( 0.000 6.987 0.000) 6.987 5.398 ( 0.000 -3.019 0.000) 3.019 5.398 ( 0.000 3.019 0.000) 3.019 5.658 ( 0.000 -0.042 0.000) 0.042 5.658 ( 0.000 0.042 0.000) 0.042 5.770 ( 0.000 -0.910 0.000) 0.910 5.770 ( 0.000 0.910 0.000) 0.910 5.787 ( 0.000 -2.999 0.000) 2.999 5.787 ( 0.000 2.999 0.000) 2.999 5.884 ( 0.000 -2.360 0.000) 2.360 5.884 ( 0.000 2.360 0.000) 2.360 6.039 ( 0.000 -3.265 0.000) 3.265 6.039 ( 0.000 3.265 0.000) 3.265 6.443 ( 0.000 -6.703 0.000) 6.703 6.443 ( 0.000 6.703 0.000) 6.703 6.568 ( 0.000 -0.323 0.000) 0.323 6.568 ( 0.000 0.323 0.000) 0.323 6.665 ( 0.000 -3.314 0.000) 3.314 6.665 ( 0.000 3.314 0.000) 3.314 6.750 ( 0.000 -3.375 0.000) 3.375 6.750 ( 0.000 3.375 0.000) 3.375 6.950 ( 0.000 -3.998 0.000) 3.998 6.950 ( 0.000 3.998 0.000) 3.998 7.145 ( 0.000 -0.628 0.000) 0.628 7.145 ( 0.000 0.628 0.000) 0.628 7.239 ( 0.000 -2.674 0.000) 2.674 7.239 ( 0.000 2.674 0.000) 2.674 7.354 ( 0.000 -10.189 0.000) 10.189 7.354 ( 0.000 10.189 0.000) 10.189 7.417 ( 0.000 -4.924 0.000) 4.924 7.417 ( 0.000 4.924 0.000) 4.924 7.914 ( 0.000 -0.194 0.000) 0.194 7.914 ( 0.000 0.194 0.000) 0.194 8.101 ( 0.000 -2.834 0.000) 2.834 8.101 ( 0.000 2.834 0.000) 2.834 8.112 ( 0.000 -0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 -10.522 0.000) 10.522 8.333 ( 0.000 10.522 0.000) 10.522 8.609 ( 0.000 -3.073 0.000) 3.073 8.609 ( 0.000 3.073 0.000) 3.073 8.862 ( 0.000 -3.579 0.000) 3.579 8.862 ( 0.000 3.579 0.000) 3.579 8.904 ( 0.000 -2.378 0.000) 2.378 8.904 ( 0.000 2.378 0.000) 2.378 9.011 ( 0.000 -9.963 0.000) 9.963 9.011 ( 0.000 9.963 0.000) 9.963 9.100 ( 0.000 -8.532 0.000) 8.532 9.100 ( 0.000 8.532 0.000) 8.532 9.467 ( 0.000 -4.702 0.000) 4.702 9.467 ( 0.000 4.702 0.000) 4.702 9.939 ( 0.000 -1.176 0.000) 1.176 9.939 ( 0.000 1.176 0.000) 1.176 10.634 ( 0.000 -11.998 0.000) 11.998 10.634 ( 0.000 11.998 0.000) 11.998 16.527 ( 0.000 -1.779 0.000) 1.779 16.527 ( 0.000 1.779 0.000) 1.779 16.874 ( 0.000 -1.759 0.000) 1.759 16.874 ( 0.000 1.759 0.000) 1.759 17.449 ( 0.000 -4.256 0.000) 4.256 17.449 ( 0.000 4.256 0.000) 4.256 17.751 ( 0.000 -2.397 0.000) 2.397 17.751 ( 0.000 2.397 0.000) 2.397 18.031 ( 0.000 -0.849 0.000) 0.849 18.031 ( 0.000 0.849 0.000) 0.849 18.321 ( 0.000 -0.370 0.000) 0.370 18.321 ( 0.000 0.370 0.000) 0.370 18.803 ( 0.000 -4.156 0.000) 4.156 18.803 ( 0.000 4.156 0.000) 4.156 19.088 ( 0.000 -2.229 0.000) 2.229 19.088 ( 0.000 2.229 0.000) 2.229 21.383 ( 0.000 -0.053 0.000) 0.053 21.383 ( 0.000 0.053 0.000) 0.053 21.491 ( 0.000 -0.480 0.000) 0.480 21.491 ( 0.000 0.480 0.000) 0.480 21.821 ( 0.000 -0.098 0.000) 0.098 21.821 ( 0.000 0.098 0.000) 0.098 21.847 ( 0.000 -0.968 0.000) 0.968 21.847 ( 0.000 0.968 0.000) 0.968 26.814 ( 0.000 -2.330 0.000) 2.330 26.814 ( 0.000 2.330 0.000) 2.330 26.894 ( 0.000 -2.143 0.000) 2.143 26.894 ( 0.000 2.143 0.000) 2.143 27.219 ( 0.000 -0.130 0.000) 0.130 27.219 ( 0.000 0.130 0.000) 0.130 27.321 ( 0.000 -0.476 0.000) 0.476 27.321 ( 0.000 0.476 0.000) 0.476 35.526 ( 0.000 -1.957 0.000) 1.957 35.526 ( 0.000 1.957 0.000) 1.957 35.832 ( 0.000 -1.210 0.000) 1.210 35.832 ( 0.000 1.210 0.000) 1.210 36.482 ( 0.000 -3.582 0.000) 3.582 36.482 ( 0.000 3.582 0.000) 3.582 37.041 ( 0.000 -12.731 0.000) 12.731 37.041 ( 0.000 12.731 0.000) 12.731 38.288 ( 0.000 -0.201 0.000) 0.201 38.288 ( 0.000 0.201 0.000) 0.201 38.520 ( 0.000 -2.114 0.000) 2.114 38.520 ( 0.000 2.114 0.000) 2.114 38.638 ( 0.000 -2.078 0.000) 2.078 38.638 ( 0.000 2.078 0.000) 2.078 40.116 ( 0.000 -9.769 0.000) 9.769 40.116 ( 0.000 9.769 0.000) 9.769 ======================= Grid point 29 (17/92) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 16.371 -10.482 5.410) 20.178 1.412 ( 16.371 10.482 5.410) 20.178 1.663 ( 7.396 -23.157 2.057) 24.396 1.663 ( 7.396 23.157 2.057) 24.396 2.204 ( 10.181 -1.790 2.643) 10.670 2.204 ( 10.181 1.790 2.643) 10.670 2.564 ( -3.824 -4.695 -0.506) 6.076 2.564 ( -3.824 4.695 -0.506) 6.076 2.740 ( 5.701 -2.843 -3.857) 7.447 2.740 ( 5.701 2.843 -3.857) 7.447 2.768 ( 0.361 -3.601 -2.025) 4.147 2.768 ( 0.361 3.601 -2.025) 4.147 2.838 ( -2.348 -7.751 -2.768) 8.559 2.838 ( -2.348 7.751 -2.768) 8.559 3.029 ( 1.522 -5.457 -9.095) 10.716 3.029 ( 1.522 5.457 -9.095) 10.716 3.156 ( 4.252 -7.306 2.739) 8.886 3.156 ( 4.252 7.306 2.739) 8.886 3.396 ( 2.177 -12.565 -2.282) 12.955 3.396 ( 2.177 12.565 -2.282) 12.955 3.643 ( 3.202 -6.844 1.873) 7.784 3.643 ( 3.202 6.844 1.873) 7.784 3.818 ( 1.658 -7.773 0.275) 7.953 3.818 ( 1.658 7.773 0.275) 7.953 4.004 ( 1.690 -3.432 2.445) 4.540 4.004 ( 1.690 3.432 2.445) 4.540 4.325 ( -1.673 -1.936 -3.064) 3.992 4.325 ( -1.673 1.936 -3.064) 3.992 4.419 ( -0.436 -2.693 -1.001) 2.905 4.419 ( -0.436 2.693 -1.001) 2.905 4.484 ( 1.340 -2.709 0.276) 3.035 4.484 ( 1.340 2.709 0.276) 3.035 4.717 ( -2.769 -1.514 -4.322) 5.351 4.717 ( -2.769 1.514 -4.322) 5.351 4.799 ( -0.534 -2.365 2.982) 3.844 4.799 ( -0.534 2.365 2.982) 3.844 5.003 ( 2.403 -9.913 0.486) 10.212 5.003 ( 2.403 9.913 0.486) 10.212 5.058 ( 0.613 -4.022 3.421) 5.316 5.058 ( 0.613 4.022 3.421) 5.316 5.235 ( -1.102 -7.436 0.306) 7.523 5.235 ( -1.102 7.436 0.306) 7.523 5.385 ( -0.559 -3.184 0.031) 3.233 5.385 ( -0.559 3.184 0.031) 3.233 5.636 ( 1.004 -0.394 -3.500) 3.662 5.636 ( 1.004 0.394 -3.500) 3.662 5.712 ( -3.673 -4.077 1.208) 5.619 5.712 ( -3.673 4.077 1.208) 5.619 5.850 ( 4.116 -2.044 -0.384) 4.612 5.850 ( 4.116 2.044 -0.384) 4.612 5.957 ( 4.525 -3.072 2.422) 5.982 5.957 ( 4.525 3.072 2.422) 5.982 6.114 ( 3.800 -3.685 5.711) 7.787 6.114 ( 3.800 3.685 5.711) 7.787 6.391 ( -3.970 -6.032 -2.513) 7.646 6.391 ( -3.970 6.032 -2.513) 7.646 6.547 ( -2.822 -0.847 -0.991) 3.109 6.547 ( -2.822 0.847 -0.991) 3.109 6.680 ( 3.150 -4.800 0.922) 5.815 6.680 ( 3.150 4.800 0.922) 5.815 6.757 ( -0.569 -3.034 3.328) 4.539 6.757 ( -0.569 3.034 3.328) 4.539 6.948 ( -0.703 -3.786 -0.549) 3.890 6.948 ( -0.703 3.786 -0.549) 3.890 7.093 ( -3.652 -1.655 1.180) 4.180 7.093 ( -3.652 1.655 1.180) 4.180 7.190 ( -1.480 -1.815 -4.059) 4.686 7.190 ( -1.480 1.815 -4.059) 4.686 7.392 ( 4.765 -3.717 1.980) 6.359 7.392 ( 4.765 3.717 1.980) 6.359 7.600 ( 8.133 -2.593 7.003) 11.041 7.600 ( 8.133 2.593 7.003) 11.041 7.829 ( -7.297 -6.024 -5.130) 10.764 7.829 ( -7.297 6.024 -5.130) 10.764 8.009 ( 0.380 -1.357 -0.235) 1.428 8.009 ( 0.380 1.357 -0.235) 1.428 8.171 ( 3.763 -3.066 -2.734) 5.570 8.171 ( 3.763 3.066 -2.734) 5.570 8.381 ( 5.195 -4.926 -4.982) 8.722 8.381 ( 5.195 4.926 -4.982) 8.722 8.655 ( 0.344 -4.528 1.764) 4.871 8.655 ( 0.344 4.528 1.764) 4.871 8.775 ( -4.409 -3.276 1.481) 5.689 8.775 ( -4.409 3.276 1.481) 5.689 8.948 ( 1.798 -4.692 3.660) 6.217 8.948 ( 1.798 4.692 3.660) 6.217 9.054 ( 3.602 -3.445 -2.171) 5.436 9.054 ( 3.602 3.445 -2.171) 5.436 9.226 ( 11.514 -5.337 3.754) 13.234 9.226 ( 11.514 5.337 3.754) 13.234 9.476 ( -0.481 -4.080 2.738) 4.937 9.476 ( -0.481 4.080 2.738) 4.937 9.945 ( 1.831 -1.496 -1.720) 2.924 9.945 ( 1.831 1.496 -1.720) 2.924 10.611 ( 0.218 -11.319 -4.470) 12.171 10.611 ( 0.218 11.319 -4.470) 12.171 16.534 ( 1.207 -1.510 -0.405) 1.975 16.534 ( 1.207 1.510 -0.405) 1.975 16.875 ( -0.200 -1.544 0.161) 1.565 16.875 ( -0.200 1.544 0.161) 1.565 17.456 ( 0.526 -3.963 0.414) 4.019 17.456 ( 0.526 3.963 0.414) 4.019 17.719 ( -1.573 -3.106 -3.134) 4.684 17.719 ( -1.573 3.106 -3.134) 4.684 18.029 ( -1.535 -0.513 1.947) 2.532 18.029 ( -1.535 0.513 1.947) 2.532 18.290 ( -3.490 -0.334 -0.192) 3.511 18.290 ( -3.490 0.334 -0.192) 3.511 18.752 ( -6.333 -4.491 1.505) 7.908 18.752 ( -6.333 4.491 1.505) 7.908 19.023 ( -6.687 -2.364 -0.862) 7.144 19.023 ( -6.687 2.364 -0.862) 7.144 21.391 ( 0.832 -0.861 0.059) 1.199 21.391 ( 0.832 0.861 0.059) 1.199 21.487 ( -0.350 -0.501 -0.122) 0.623 21.487 ( -0.350 0.501 -0.122) 0.623 21.821 ( 0.200 -0.198 -0.272) 0.392 21.821 ( 0.200 0.198 -0.272) 0.392 21.851 ( -0.101 -0.845 0.735) 1.124 21.851 ( -0.101 0.845 0.735) 1.124 26.815 ( 0.090 -2.236 0.148) 2.242 26.815 ( 0.090 2.236 0.148) 2.242 26.889 ( -0.431 -2.033 0.000) 2.078 26.889 ( -0.431 2.033 0.000) 2.078 27.234 ( 1.622 -0.236 0.039) 1.639 27.234 ( 1.622 0.236 0.039) 1.639 27.329 ( 0.872 -0.504 -0.013) 1.007 27.329 ( 0.872 0.504 -0.013) 1.007 35.472 ( -5.787 -4.755 -0.106) 7.491 35.472 ( -5.787 4.755 -0.106) 7.491 35.831 ( -0.230 -0.437 0.339) 0.599 35.831 ( -0.230 0.437 0.339) 0.599 36.476 ( -2.213 -5.896 2.559) 6.798 36.476 ( -2.213 5.896 2.559) 6.798 37.020 ( -2.100 -12.435 -0.646) 12.627 37.020 ( -2.100 12.435 -0.646) 12.627 38.221 ( -3.377 -2.516 -1.702) 4.542 38.221 ( -3.377 2.516 -1.702) 4.542 38.468 ( -4.236 -1.350 1.578) 4.717 38.468 ( -4.236 1.350 1.578) 4.717 38.894 ( 22.450 -2.355 1.023) 22.596 38.894 ( 22.450 2.355 1.023) 22.596 40.121 ( 4.199 -10.531 -5.783) 12.727 40.121 ( 4.199 10.531 -5.783) 12.727 ======================= Grid point 31 (18/92) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 6.233 -4.775 7.143) 10.615 1.682 ( 6.233 4.775 7.143) 10.615 1.835 ( 8.350 -16.688 3.138) 18.923 1.835 ( 8.350 16.688 3.138) 18.923 2.390 ( 2.218 -1.248 0.639) 2.624 2.390 ( 2.218 1.248 0.639) 2.624 2.483 ( -3.006 -6.170 -5.035) 8.512 2.483 ( -3.006 6.170 -5.035) 8.512 2.598 ( -2.308 -4.546 -8.160) 9.622 2.598 ( -2.308 4.546 -8.160) 9.622 2.720 ( 4.849 -3.455 -6.369) 8.719 2.720 ( 4.849 3.455 -6.369) 8.719 2.952 ( 9.748 -4.466 1.769) 10.867 2.952 ( 9.748 4.466 1.769) 10.867 3.109 ( 7.166 -5.107 1.118) 8.870 3.109 ( 7.166 5.107 1.118) 8.870 3.246 ( 4.066 -2.559 -2.899) 5.611 3.246 ( 4.066 2.559 -2.899) 5.611 3.414 ( 4.438 -9.847 0.511) 10.813 3.414 ( 4.438 9.847 0.511) 10.813 3.731 ( 4.464 -10.399 -0.375) 11.323 3.731 ( 4.464 10.399 -0.375) 11.323 3.839 ( 2.344 -3.169 -0.677) 3.999 3.839 ( 2.344 3.169 -0.677) 3.999 4.072 ( 1.258 -1.048 3.045) 3.457 4.072 ( 1.258 1.048 3.045) 3.457 4.267 ( -1.365 -6.682 -0.757) 6.862 4.267 ( -1.365 6.682 -0.757) 6.862 4.365 ( -0.020 -1.398 -4.772) 4.973 4.365 ( -0.020 1.398 -4.772) 4.973 4.527 ( 0.839 -2.806 1.395) 3.244 4.527 ( 0.839 2.806 1.395) 3.244 4.632 ( -1.965 -2.645 -1.948) 3.828 4.632 ( -1.965 2.645 -1.948) 3.828 4.837 ( 3.417 -2.697 -1.935) 4.764 4.837 ( 3.417 2.697 -1.935) 4.764 5.022 ( -4.331 -4.017 3.431) 6.831 5.022 ( -4.331 4.017 3.431) 6.831 5.077 ( 1.698 -9.989 2.390) 10.411 5.077 ( 1.698 9.989 2.390) 10.411 5.265 ( 1.408 -3.651 0.902) 4.015 5.265 ( 1.408 3.651 0.902) 4.015 5.415 ( 1.994 -0.769 3.170) 3.823 5.415 ( 1.994 0.769 3.170) 3.823 5.613 ( 1.114 -0.552 -3.279) 3.506 5.613 ( 1.114 0.552 -3.279) 3.506 5.706 ( 1.463 -3.527 0.255) 3.827 5.706 ( 1.463 3.527 0.255) 3.827 5.892 ( 2.409 -0.904 -1.290) 2.878 5.892 ( 2.409 0.904 -1.290) 2.878 6.054 ( 3.117 -3.091 2.948) 5.288 6.054 ( 3.117 3.091 2.948) 5.288 6.225 ( 1.943 -4.122 1.926) 4.947 6.225 ( 1.943 4.122 1.926) 4.947 6.331 ( 0.810 -2.246 0.212) 2.397 6.331 ( 0.810 2.246 0.212) 2.397 6.442 ( -5.866 -3.502 -1.636) 7.025 6.442 ( -5.866 3.502 -1.636) 7.025 6.780 ( 1.853 -2.536 1.541) 3.498 6.780 ( 1.853 2.536 1.541) 3.498 6.810 ( 3.283 -3.465 3.570) 5.961 6.810 ( 3.283 3.465 3.570) 5.961 6.917 ( -0.193 -3.006 -0.622) 3.075 6.917 ( -0.193 3.006 -0.622) 3.075 7.036 ( -2.378 -1.539 -0.893) 2.970 7.036 ( -2.378 1.539 -0.893) 2.970 7.206 ( 2.519 -2.891 2.516) 4.587 7.206 ( 2.519 2.891 2.516) 4.587 7.404 ( -6.661 -2.460 2.983) 7.702 7.404 ( -6.661 2.460 2.983) 7.702 7.684 ( 0.115 -7.905 -7.928) 11.196 7.684 ( 0.115 7.905 -7.928) 11.196 7.792 ( 8.480 -0.557 1.416) 8.616 7.792 ( 8.480 0.557 1.416) 8.616 8.062 ( 2.855 -1.835 3.139) 4.623 8.062 ( 2.855 1.835 3.139) 4.623 8.205 ( 3.818 -3.509 -2.340) 5.689 8.205 ( 3.818 3.509 -2.340) 5.689 8.381 ( 1.269 -2.308 -4.058) 4.838 8.381 ( 1.269 2.308 -4.058) 4.838 8.630 ( -2.032 -7.512 1.528) 7.930 8.630 ( -2.032 7.512 1.528) 7.930 8.765 ( 0.887 -5.483 -2.073) 5.929 8.765 ( 0.887 5.483 -2.073) 5.929 9.011 ( -0.329 -8.375 4.846) 9.682 9.011 ( -0.329 8.375 4.846) 9.682 9.112 ( 6.169 -2.594 -2.991) 7.330 9.112 ( 6.169 2.594 -2.991) 7.330 9.457 ( 8.637 -0.954 -0.595) 8.710 9.457 ( 8.637 0.954 -0.595) 8.710 9.540 ( 2.967 -7.965 10.252) 13.318 9.540 ( 2.967 7.965 10.252) 13.318 9.973 ( 4.509 -2.475 -2.256) 5.616 9.973 ( 4.509 2.475 -2.256) 5.616 10.552 ( -0.605 -9.211 -5.665) 10.830 10.552 ( -0.605 9.211 -5.665) 10.830 16.562 ( 2.500 -1.111 -0.189) 2.742 16.562 ( 2.500 1.111 -0.189) 2.742 16.864 ( -1.201 -1.420 -0.167) 1.867 16.864 ( -1.201 1.420 -0.167) 1.867 17.473 ( 0.763 -3.043 0.589) 3.192 17.473 ( 0.763 3.043 0.589) 3.192 17.647 ( -2.226 -3.619 -3.580) 5.556 17.647 ( -2.226 3.619 -3.580) 5.556 18.018 ( -2.707 -0.309 2.570) 3.746 18.018 ( -2.707 0.309 2.570) 3.746 18.207 ( -5.861 -0.224 0.088) 5.866 18.207 ( -5.861 0.224 0.088) 5.866 18.650 ( -7.119 -4.234 1.575) 8.432 18.650 ( -7.119 4.234 1.575) 8.432 18.868 ( -9.402 -2.574 -1.501) 9.862 18.868 ( -9.402 2.574 -1.501) 9.862 21.406 ( 0.972 -1.215 -0.262) 1.578 21.406 ( 0.972 1.215 -0.262) 1.578 21.478 ( -0.560 -0.457 -0.027) 0.723 21.478 ( -0.560 0.457 -0.027) 0.723 21.823 ( 0.371 -0.296 -0.230) 0.528 21.823 ( 0.371 0.296 -0.230) 0.528 21.856 ( -0.325 -0.589 0.784) 1.033 21.856 ( -0.325 0.589 0.784) 1.033 26.820 ( 0.302 -2.027 0.241) 2.064 26.820 ( 0.302 2.027 0.241) 2.064 26.881 ( -0.497 -1.845 -0.007) 1.911 26.881 ( -0.497 1.845 -0.007) 1.911 27.270 ( 2.422 -0.316 0.009) 2.442 27.270 ( 2.422 0.316 0.009) 2.442 27.346 ( 1.086 -0.443 -0.118) 1.179 27.346 ( 1.086 0.443 -0.118) 1.179 35.354 ( -7.324 -5.686 -0.259) 9.276 35.354 ( -7.324 5.686 -0.259) 9.276 35.833 ( -0.120 -2.966 0.521) 3.014 35.833 ( -0.120 2.966 0.521) 3.014 36.466 ( -2.361 -7.233 3.023) 8.187 36.466 ( -2.361 7.233 3.023) 8.187 36.959 ( -4.102 -10.888 -0.736) 11.658 36.959 ( -4.102 10.888 -0.736) 11.658 38.186 ( 0.210 -6.103 0.044) 6.107 38.186 ( 0.210 6.103 0.044) 6.107 38.413 ( -3.379 -0.546 0.270) 3.434 38.413 ( -3.379 0.546 0.270) 3.434 39.313 ( 24.597 -4.803 0.215) 25.063 39.313 ( 24.597 4.803 0.215) 25.063 40.136 ( 5.357 -10.746 -5.942) 13.397 40.136 ( 5.357 10.746 -5.942) 13.397 ======================= Grid point 33 (19/92) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -4.360 -4.091 1.224) 6.103 1.752 ( -4.360 4.091 1.224) 6.103 1.952 ( 1.702 -6.694 0.461) 6.923 1.952 ( 1.702 6.694 0.461) 6.923 2.275 ( 1.818 -8.309 -8.425) 11.971 2.275 ( 1.818 8.309 -8.425) 11.971 2.438 ( 1.256 -2.350 1.125) 2.892 2.438 ( 1.256 2.350 1.125) 2.892 2.593 ( 1.730 -8.742 0.041) 8.911 2.593 ( 1.730 8.742 0.041) 8.911 2.878 ( 12.468 -2.013 1.570) 12.726 2.878 ( 12.468 2.013 1.570) 12.726 3.050 ( -1.817 -4.628 0.715) 5.023 3.050 ( -1.817 4.628 0.715) 5.023 3.092 ( -2.328 -2.280 -4.048) 5.196 3.092 ( -2.328 2.280 -4.048) 5.196 3.334 ( 5.390 -2.051 -1.121) 5.875 3.334 ( 5.390 2.051 -1.121) 5.875 3.509 ( 2.941 -2.873 2.616) 4.873 3.509 ( 2.941 2.873 2.616) 4.873 3.754 ( 0.820 -4.880 -2.490) 5.539 3.754 ( 0.820 4.880 -2.490) 5.539 3.913 ( 6.174 -2.181 0.289) 6.554 3.913 ( 6.174 2.181 0.289) 6.554 4.087 ( -0.152 -2.777 -0.704) 2.869 4.087 ( -0.152 2.777 -0.704) 2.869 4.291 ( 4.132 -1.695 -0.992) 4.575 4.291 ( 4.132 1.695 -0.992) 4.575 4.362 ( 1.908 -4.204 0.839) 4.693 4.362 ( 1.908 4.204 0.839) 4.693 4.508 ( -4.274 -3.357 1.834) 5.736 4.508 ( -4.274 3.357 1.834) 5.736 4.621 ( 3.054 -6.782 -3.307) 8.140 4.621 ( 3.054 6.782 -3.307) 8.140 4.852 ( 1.445 -2.985 -2.614) 4.223 4.852 ( 1.445 2.985 -2.614) 4.223 5.025 ( -1.366 -2.177 5.931) 6.464 5.025 ( -1.366 2.177 5.931) 6.464 5.137 ( 1.911 -11.132 2.529) 11.574 5.137 ( 1.911 11.132 2.529) 11.574 5.286 ( 1.877 -3.384 -0.333) 3.884 5.286 ( 1.877 3.384 -0.333) 3.884 5.448 ( -1.786 -4.119 0.703) 4.544 5.448 ( -1.786 4.119 0.703) 4.544 5.627 ( 2.574 -3.420 -0.965) 4.388 5.627 ( 2.574 3.420 -0.965) 4.388 5.736 ( 2.905 -1.787 -1.942) 3.925 5.736 ( 2.905 1.787 -1.942) 3.925 5.918 ( 2.218 -1.438 -0.441) 2.680 5.918 ( 2.218 1.438 -0.441) 2.680 6.137 ( 2.266 -7.981 4.726) 9.548 6.137 ( 2.266 7.981 4.726) 9.548 6.214 ( -0.592 -3.531 -2.695) 4.482 6.214 ( -0.592 3.531 -2.695) 4.482 6.334 ( -1.747 -1.004 -1.861) 2.743 6.334 ( -1.747 1.004 -1.861) 2.743 6.426 ( 3.469 -1.977 1.459) 4.251 6.426 ( 3.469 1.977 1.459) 4.251 6.739 ( -4.170 -5.883 -4.432) 8.465 6.739 ( -4.170 5.883 -4.432) 8.465 6.840 ( -1.176 -1.826 3.558) 4.169 6.840 ( -1.176 1.826 3.558) 4.169 6.971 ( 3.085 -0.909 -0.538) 3.261 6.971 ( 3.085 0.909 -0.538) 3.261 7.064 ( 3.037 -3.729 4.421) 6.532 7.064 ( 3.037 3.729 4.421) 6.532 7.254 ( -1.367 -2.359 2.634) 3.791 7.254 ( -1.367 2.359 2.634) 3.791 7.317 ( -4.911 -3.820 2.640) 6.759 7.317 ( -4.911 3.820 2.640) 6.759 7.621 ( 1.881 -4.589 -7.744) 9.196 7.621 ( 1.881 4.589 -7.744) 9.196 7.905 ( 4.996 -6.855 -1.988) 8.712 7.905 ( 4.996 6.855 -1.988) 8.712 8.149 ( 2.627 -3.125 3.275) 5.234 8.149 ( 2.627 3.125 3.275) 5.234 8.258 ( 4.073 -6.227 -0.033) 7.441 8.258 ( 4.073 6.227 -0.033) 7.441 8.369 ( 1.285 -3.089 -0.881) 3.459 8.369 ( 1.285 3.089 -0.881) 3.459 8.637 ( 0.412 -9.284 1.027) 9.350 8.637 ( 0.412 9.284 1.027) 9.350 8.748 ( 0.404 -7.947 -2.547) 8.355 8.748 ( 0.404 7.947 -2.547) 8.355 9.050 ( 0.316 -7.944 2.708) 8.398 9.050 ( 0.316 7.944 2.708) 8.398 9.168 ( 3.176 -2.646 -1.610) 4.436 9.168 ( 3.176 2.646 -1.610) 4.436 9.529 ( 2.626 -2.034 0.679) 3.390 9.529 ( 2.626 2.034 0.679) 3.390 9.707 ( 3.559 -7.710 4.830) 9.769 9.707 ( 3.559 7.710 4.830) 9.769 10.058 ( 7.502 -3.198 -1.275) 8.254 10.058 ( 7.502 3.198 -1.275) 8.254 10.475 ( -2.886 -5.723 -2.880) 7.027 10.475 ( -2.886 5.723 -2.880) 7.027 16.612 ( 3.249 -0.823 0.087) 3.353 16.612 ( 3.249 0.823 0.087) 3.353 16.831 ( -2.263 -1.539 -0.321) 2.756 16.831 ( -2.263 1.539 -0.321) 2.756 17.490 ( 0.596 -1.262 0.453) 1.467 17.490 ( 0.596 1.262 0.453) 1.467 17.579 ( -1.864 -2.077 -2.343) 3.644 17.579 ( -1.864 2.077 -2.343) 3.644 17.994 ( -2.987 -0.868 1.965) 3.679 17.994 ( -2.987 0.868 1.965) 3.679 18.113 ( -5.081 -0.315 0.495) 5.115 18.113 ( -5.081 0.315 0.495) 5.115 18.559 ( -4.797 -3.537 0.497) 5.981 18.559 ( -4.797 3.537 0.497) 5.981 18.706 ( -7.244 -2.585 -1.350) 7.809 18.706 ( -7.244 2.585 -1.350) 7.809 21.419 ( 1.024 -0.886 -0.411) 1.415 21.419 ( 1.024 0.886 -0.411) 1.415 21.467 ( -0.830 -0.290 0.045) 0.880 21.467 ( -0.830 0.290 0.045) 0.880 21.828 ( 0.497 -0.298 -0.105) 0.589 21.828 ( 0.497 0.298 -0.105) 0.589 21.856 ( -0.508 -0.357 0.501) 0.798 21.856 ( -0.508 0.357 0.501) 0.798 26.830 ( 0.437 -1.787 0.271) 1.860 26.830 ( 0.437 1.787 0.271) 1.860 26.873 ( -0.464 -1.589 -0.113) 1.659 26.873 ( -0.464 1.589 -0.113) 1.659 27.306 ( 1.856 -0.215 -0.263) 1.887 27.306 ( 1.856 0.215 -0.263) 1.887 27.362 ( 0.979 -0.496 0.030) 1.098 27.362 ( 0.979 0.496 0.030) 1.098 35.240 ( -5.415 -5.748 -0.393) 7.906 35.240 ( -5.415 5.748 -0.393) 7.906 35.837 ( -0.015 -5.280 0.445) 5.299 35.837 ( -0.015 5.280 0.445) 5.299 36.464 ( -1.225 -7.740 2.153) 8.126 36.464 ( -1.225 7.740 2.153) 8.126 36.878 ( -4.226 -9.346 -0.546) 10.272 36.878 ( -4.226 9.346 -0.546) 10.272 38.216 ( 2.232 -6.980 1.019) 7.399 38.216 ( 2.232 6.980 1.019) 7.399 38.363 ( -2.855 -0.536 0.132) 2.908 38.363 ( -2.855 0.536 0.132) 2.908 39.663 ( 17.788 -5.789 -3.915) 19.111 39.663 ( 17.788 5.789 -3.915) 19.111 40.185 ( 4.670 -9.179 -0.366) 10.305 40.185 ( 4.670 9.179 -0.366) 10.305 ======================= Grid point 35 (20/92) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -4.415 -2.107 -2.564) 5.523 1.632 ( -4.415 2.107 -2.564) 5.523 1.942 ( -0.363 -2.564 -1.126) 2.824 1.942 ( -0.363 2.564 -1.126) 2.824 2.308 ( 3.026 -4.341 0.014) 5.292 2.308 ( 3.026 4.341 0.014) 5.292 2.502 ( 2.506 -1.779 1.023) 3.239 2.502 ( 2.506 1.779 1.023) 3.239 2.663 ( 4.501 -3.979 3.559) 6.982 2.663 ( 4.501 3.979 3.559) 6.982 2.902 ( -5.591 -2.313 -6.391) 8.801 2.902 ( -5.591 2.313 -6.391) 8.801 3.027 ( -0.849 -10.125 0.386) 10.168 3.027 ( -0.849 10.125 0.386) 10.168 3.120 ( 6.260 -1.675 2.732) 7.033 3.120 ( 6.260 1.675 2.732) 7.033 3.326 ( -2.815 -2.721 -1.588) 4.225 3.326 ( -2.815 2.721 -1.588) 4.225 3.581 ( 1.916 -1.689 2.363) 3.480 3.581 ( 1.916 1.689 2.363) 3.480 3.735 ( -0.069 -6.378 -1.686) 6.598 3.735 ( -0.069 6.378 -1.686) 6.598 3.963 ( -0.764 -6.347 -0.176) 6.395 3.963 ( -0.764 6.347 -0.176) 6.395 4.144 ( 7.793 -1.532 0.385) 7.951 4.144 ( 7.793 1.532 0.385) 7.951 4.280 ( -4.093 -0.640 -2.877) 5.043 4.280 ( -4.093 0.640 -2.877) 5.043 4.416 ( 1.488 -4.504 1.738) 5.052 4.416 ( 1.488 4.504 1.738) 5.052 4.485 ( -0.228 -4.316 1.682) 4.638 4.485 ( -0.228 4.316 1.682) 4.638 4.640 ( 1.693 -6.718 -1.467) 7.081 4.640 ( 1.693 6.718 -1.467) 7.081 4.836 ( -0.749 -3.895 -0.640) 4.018 4.836 ( -0.749 3.895 -0.640) 4.018 5.061 ( -0.457 -0.672 2.535) 2.662 5.061 ( -0.457 0.672 2.535) 2.662 5.194 ( 2.577 -12.258 0.466) 12.535 5.194 ( 2.577 12.258 0.466) 12.535 5.329 ( 1.738 -1.888 1.064) 2.778 5.329 ( 1.738 1.888 1.064) 2.778 5.392 ( -3.046 -5.950 -1.324) 6.814 5.392 ( -3.046 5.950 -1.324) 6.814 5.638 ( 0.620 -5.597 -1.394) 5.801 5.638 ( 0.620 5.597 -1.394) 5.801 5.779 ( 2.763 -6.074 0.062) 6.674 5.779 ( 2.763 6.074 0.062) 6.674 5.960 ( 1.463 -3.057 1.311) 3.634 5.960 ( 1.463 3.057 1.311) 3.634 6.166 ( -0.936 -4.699 -0.517) 4.819 6.166 ( -0.936 4.699 -0.517) 4.819 6.221 ( 0.916 -3.039 0.774) 3.267 6.221 ( 0.916 3.039 0.774) 3.267 6.300 ( 0.372 -0.520 -1.335) 1.481 6.300 ( 0.372 0.520 -1.335) 1.481 6.474 ( 1.256 -3.757 -0.312) 3.973 6.474 ( 1.256 3.757 -0.312) 3.973 6.629 ( -2.954 -5.761 -1.994) 6.774 6.629 ( -2.954 5.761 -1.994) 6.774 6.862 ( -0.544 -0.966 2.549) 2.779 6.862 ( -0.544 0.966 2.549) 2.779 7.005 ( 1.683 -2.094 -0.584) 2.750 7.005 ( 1.683 2.094 -0.584) 2.750 7.130 ( 0.229 -1.402 2.701) 3.051 7.130 ( 0.229 1.402 2.701) 3.051 7.222 ( -2.397 -2.580 -1.040) 3.672 7.222 ( -2.397 2.580 -1.040) 3.672 7.314 ( 0.225 -7.601 1.990) 7.861 7.314 ( 0.225 7.601 1.990) 7.861 7.589 ( 1.265 -1.205 -3.097) 3.556 7.589 ( 1.265 1.205 -3.097) 3.556 7.929 ( 0.933 -9.756 -1.522) 9.918 7.929 ( 0.933 9.756 -1.522) 9.918 8.203 ( 0.900 -3.680 1.098) 3.944 8.203 ( 0.900 3.680 1.098) 3.944 8.312 ( 1.062 -5.986 0.776) 6.129 8.312 ( 1.062 5.986 0.776) 6.129 8.414 ( 2.914 -2.682 0.448) 3.985 8.414 ( 2.914 2.682 0.448) 3.985 8.651 ( 0.615 -7.483 0.121) 7.509 8.651 ( 0.615 7.483 0.121) 7.509 8.726 ( -0.624 -10.580 -1.123) 10.658 8.726 ( -0.624 10.580 -1.123) 10.658 9.076 ( 0.267 -7.209 0.903) 7.270 9.076 ( 0.267 7.209 0.903) 7.270 9.189 ( 0.795 -3.462 -0.457) 3.581 9.189 ( 0.795 3.462 -0.457) 3.581 9.569 ( 1.053 -0.676 0.687) 1.428 9.569 ( 1.053 0.676 0.687) 1.428 9.764 ( 0.724 -3.319 0.642) 3.458 9.764 ( 0.724 3.319 0.642) 3.458 10.162 ( 5.093 -3.221 -1.190) 6.142 10.162 ( 5.093 3.221 -1.190) 6.142 10.404 ( -3.302 -1.905 0.291) 3.823 10.404 ( -3.302 1.905 0.291) 3.823 16.663 ( 2.184 -0.648 0.062) 2.279 16.663 ( 2.184 0.648 0.062) 2.279 16.791 ( -1.805 -1.548 -0.117) 2.381 16.791 ( -1.805 1.548 -0.117) 2.381 17.502 ( 0.299 -4.154 0.226) 4.171 17.502 ( 0.299 4.154 0.226) 4.171 17.538 ( -0.866 -2.815 -0.863) 3.069 17.538 ( -0.866 2.815 -0.863) 3.069 17.969 ( -1.349 -0.758 0.717) 1.705 17.969 ( -1.349 0.758 0.717) 1.705 18.058 ( -1.904 -0.919 0.300) 2.135 18.058 ( -1.904 0.919 0.300) 2.135 18.506 ( -1.644 -3.175 -0.082) 3.576 18.506 ( -1.644 3.175 -0.082) 3.576 18.612 ( -2.574 -2.419 -0.465) 3.563 18.612 ( -2.574 2.419 -0.465) 3.563 21.433 ( 1.142 -0.418 -0.245) 1.240 21.433 ( 1.142 0.418 -0.245) 1.240 21.451 ( -1.090 -0.085 0.080) 1.097 21.451 ( -1.090 0.085 0.080) 1.097 21.836 ( 0.397 -0.243 -0.040) 0.467 21.836 ( 0.397 0.243 -0.040) 0.467 21.851 ( -0.407 -0.259 0.182) 0.516 21.851 ( -0.407 0.259 0.182) 0.516 26.839 ( 0.296 -2.041 0.183) 2.071 26.839 ( 0.296 2.041 0.183) 2.071 26.864 ( -0.294 -1.763 -0.141) 1.792 26.864 ( -0.294 1.763 -0.141) 1.792 27.323 ( 0.559 -0.216 -0.238) 0.645 27.323 ( 0.559 0.216 -0.238) 0.645 27.377 ( 0.510 -0.727 0.115) 0.896 27.377 ( 0.510 0.727 0.115) 0.896 35.173 ( -1.939 -5.844 -0.198) 6.160 35.173 ( -1.939 5.844 -0.198) 6.160 35.841 ( 0.005 -6.679 0.173) 6.681 35.841 ( 0.005 6.679 0.173) 6.681 36.469 ( -0.227 -9.439 0.776) 9.473 36.469 ( -0.227 9.439 0.776) 9.473 36.820 ( -1.863 -9.922 -0.217) 10.098 36.820 ( -1.863 9.922 -0.217) 10.098 38.268 ( 2.568 -2.955 0.515) 3.948 38.268 ( 2.568 2.955 0.515) 3.948 38.319 ( -2.542 -4.183 0.169) 4.897 38.319 ( -2.542 4.183 0.169) 4.897 39.814 ( 5.740 -7.035 -3.232) 9.637 39.814 ( 5.740 7.035 -3.232) 9.637 40.265 ( 2.497 -8.146 1.660) 8.680 40.265 ( 2.497 8.146 1.660) 8.680 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -14.484 0.000 24.161) 28.170 0.573 ( -4.636 0.000 27.470) 27.859 0.993 ( -3.032 0.000 49.147) 49.241 1.844 ( 17.758 0.000 -11.480) 21.146 1.846 ( 7.819 0.000 -15.213) 17.105 1.898 ( -5.821 0.000 -8.201) 10.057 2.231 ( 0.909 0.000 -9.134) 9.179 2.433 ( -10.627 0.000 1.815) 10.781 2.490 ( 10.896 0.000 1.199) 10.961 2.596 ( -1.881 0.000 5.092) 5.429 2.632 ( 2.024 0.000 2.099) 2.916 2.661 ( 5.024 0.000 4.154) 6.519 3.002 ( -0.396 0.000 -12.002) 12.008 3.083 ( -7.994 0.000 -8.232) 11.475 3.161 ( 5.212 0.000 5.853) 7.837 3.175 ( -2.315 0.000 2.469) 3.385 3.176 ( -1.155 0.000 1.248) 1.701 3.326 ( 6.594 0.000 -2.759) 7.148 3.451 ( 5.380 0.000 -4.222) 6.839 3.475 ( -7.810 0.000 -2.616) 8.237 3.543 ( -3.479 0.000 3.936) 5.253 3.662 ( -0.292 0.000 -0.902) 0.948 3.757 ( 0.982 0.000 1.035) 1.427 3.876 ( -0.043 0.000 0.618) 0.620 3.895 ( -3.364 0.000 4.996) 6.023 4.106 ( 0.494 0.000 -0.820) 0.958 4.150 ( 5.338 0.000 -7.487) 9.195 4.306 ( 1.089 0.000 1.919) 2.206 4.332 ( 0.777 0.000 -3.066) 3.163 4.369 ( -0.608 0.000 -1.090) 1.248 4.417 ( -0.169 0.000 1.733) 1.742 4.633 ( -8.353 0.000 2.228) 8.645 4.647 ( 3.857 0.000 5.470) 6.693 4.717 ( 8.067 0.000 4.803) 9.389 4.818 ( -3.988 0.000 -10.265) 11.012 4.839 ( 0.310 0.000 -4.453) 4.464 4.984 ( 6.704 0.000 -5.627) 8.752 5.052 ( 3.285 0.000 -12.308) 12.739 5.068 ( -0.625 0.000 -2.896) 2.963 5.177 ( 5.851 0.000 -3.754) 6.952 5.196 ( -4.893 0.000 -5.069) 7.045 5.202 ( 0.512 0.000 4.632) 4.660 5.326 ( -5.074 0.000 0.075) 5.074 5.393 ( -1.646 0.000 -4.644) 4.927 5.434 ( 2.283 0.000 1.893) 2.965 5.487 ( 2.175 0.000 0.311) 2.197 5.613 ( -5.161 0.000 6.093) 7.985 5.734 ( 1.919 0.000 -1.478) 2.422 5.789 ( -11.235 0.000 -5.185) 12.374 5.834 ( 0.416 0.000 -2.211) 2.249 6.047 ( -4.934 0.000 16.774) 17.484 6.101 ( 5.458 0.000 6.625) 8.584 6.140 ( 0.915 0.000 -1.842) 2.056 6.274 ( 4.053 0.000 5.779) 7.058 6.278 ( -0.532 0.000 8.580) 8.596 6.325 ( -0.600 0.000 -5.605) 5.637 6.432 ( -1.428 0.000 0.235) 1.447 6.628 ( 2.504 0.000 7.900) 8.287 6.634 ( 2.183 0.000 0.160) 2.189 6.746 ( 0.686 0.000 -2.290) 2.391 6.857 ( 0.312 0.000 3.566) 3.579 6.871 ( 0.507 0.000 0.524) 0.729 6.887 ( 3.808 0.000 4.899) 6.205 6.953 ( 4.889 0.000 -9.116) 10.345 6.973 ( 4.459 0.000 -0.701) 4.514 7.119 ( 8.754 0.000 -2.658) 9.149 7.213 ( 8.233 0.000 1.393) 8.350 7.282 ( -11.658 0.000 -1.012) 11.702 7.320 ( -7.750 0.000 -1.690) 7.932 7.332 ( -1.717 0.000 6.431) 6.656 7.454 ( -21.103 0.000 -7.028) 22.243 7.464 ( -0.266 0.000 7.148) 7.153 7.842 ( 3.111 0.000 -1.130) 3.309 7.853 ( 0.257 0.000 5.559) 5.565 8.022 ( 22.205 0.000 1.680) 22.268 8.067 ( 6.671 0.000 3.074) 7.345 8.117 ( -9.544 0.000 3.362) 10.119 8.118 ( 8.969 0.000 -1.237) 9.054 8.302 ( -4.846 0.000 -2.314) 5.370 8.431 ( -3.785 0.000 -0.637) 3.838 8.485 ( 2.535 0.000 3.421) 4.258 8.582 ( 12.091 0.000 -1.176) 12.148 8.654 ( 3.249 0.000 3.682) 4.910 8.710 ( -0.651 0.000 -2.566) 2.647 8.819 ( -2.929 0.000 -1.892) 3.486 8.926 ( -1.391 0.000 -4.196) 4.421 8.961 ( -2.535 0.000 4.256) 4.954 9.117 ( -0.967 0.000 1.245) 1.576 9.323 ( 4.047 0.000 -3.828) 5.571 9.331 ( 5.967 0.000 -15.407) 16.522 9.479 ( -4.458 0.000 3.094) 5.426 9.690 ( 0.415 0.000 -0.040) 0.417 9.952 ( 1.668 0.000 -2.857) 3.308 10.095 ( 0.875 0.000 -3.971) 4.067 10.277 ( -3.375 0.000 19.118) 19.413 11.354 ( -16.455 0.000 -9.748) 19.125 16.466 ( -0.365 0.000 0.419) 0.556 16.524 ( 0.815 0.000 -1.018) 1.304 16.822 ( -0.941 0.000 1.542) 1.806 16.926 ( 0.610 0.000 -0.957) 1.135 17.491 ( -0.228 0.000 0.900) 0.929 17.505 ( 0.132 0.000 0.462) 0.480 17.850 ( 3.288 0.000 -0.091) 3.289 17.933 ( -1.353 0.000 -2.635) 2.962 18.026 ( 0.416 0.000 2.106) 2.147 18.151 ( -1.654 0.000 -2.230) 2.776 18.210 ( 0.602 0.000 -0.211) 0.638 18.213 ( -5.628 0.000 0.310) 5.636 18.530 ( -0.026 0.000 3.588) 3.589 18.809 ( 0.130 0.000 -3.606) 3.608 18.930 ( -0.048 0.000 2.238) 2.239 19.044 ( 0.905 0.000 -0.955) 1.316 21.362 ( 0.086 0.000 0.263) 0.277 21.385 ( 1.760 0.000 -0.290) 1.784 21.473 ( 0.334 0.000 0.324) 0.465 21.500 ( -0.213 0.000 -0.323) 0.386 21.824 ( -0.141 0.000 -0.124) 0.188 21.827 ( 0.361 0.000 -0.515) 0.629 21.869 ( -0.410 0.000 1.417) 1.475 21.941 ( 1.012 0.000 -0.599) 1.176 26.759 ( -0.177 0.000 0.523) 0.552 26.804 ( 0.223 0.000 -0.530) 0.575 26.951 ( -0.253 0.000 0.134) 0.286 26.956 ( 0.199 0.000 0.007) 0.199 27.181 ( -0.106 0.000 0.384) 0.399 27.214 ( -0.379 0.000 -0.419) 0.565 27.273 ( -0.189 0.000 0.474) 0.510 27.308 ( 0.127 0.000 -0.382) 0.403 35.277 ( 3.851 0.000 2.020) 4.349 35.411 ( -5.566 0.000 -1.054) 5.665 35.689 ( 6.600 0.000 1.440) 6.756 35.810 ( -1.689 0.000 -1.367) 2.173 36.263 ( -0.987 0.000 1.398) 1.711 36.341 ( 0.801 0.000 -0.575) 0.986 37.540 ( -7.809 0.000 2.508) 8.202 37.742 ( 85.349 0.000 -2.009) 85.372 38.311 ( -8.474 0.000 -1.121) 8.548 38.360 ( -10.268 0.000 -0.882) 10.306 38.453 ( -46.706 0.000 3.152) 46.812 38.569 ( 8.431 0.000 -2.304) 8.740 38.609 ( -6.797 0.000 -0.135) 6.798 38.754 ( 1.390 0.000 -3.512) 3.778 39.179 ( 9.684 0.000 8.887) 13.143 39.780 ( -38.106 0.000 -6.555) 38.666 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 3.962 0.000 22.286) 22.636 0.935 ( 24.818 0.000 13.869) 28.430 1.634 ( 13.501 0.000 33.614) 36.224 1.833 ( 13.885 0.000 -13.832) 19.599 1.867 ( 5.598 0.000 0.345) 5.608 2.041 ( 19.753 0.000 -18.392) 26.990 2.261 ( 14.411 0.000 -9.980) 17.529 2.382 ( 2.474 0.000 -1.541) 2.915 2.540 ( -8.003 0.000 4.871) 9.369 2.659 ( 2.351 0.000 8.695) 9.007 2.769 ( 2.600 0.000 -0.936) 2.764 2.812 ( 18.354 0.000 -3.562) 18.696 2.831 ( 1.492 0.000 -12.326) 12.416 2.865 ( -3.258 0.000 -7.109) 7.820 3.139 ( -4.919 0.000 1.996) 5.309 3.174 ( 0.236 0.000 -0.588) 0.633 3.300 ( -7.019 0.000 -2.598) 7.484 3.350 ( -0.058 0.000 -1.156) 1.158 3.415 ( 12.543 0.000 3.130) 12.927 3.505 ( 6.062 0.000 -4.925) 7.811 3.509 ( -3.353 0.000 3.876) 5.125 3.671 ( 3.806 0.000 -2.360) 4.479 3.825 ( 2.373 0.000 0.319) 2.394 3.856 ( -2.716 0.000 -0.524) 2.766 3.949 ( 3.033 0.000 7.643) 8.223 4.105 ( 1.503 0.000 -2.066) 2.555 4.176 ( 3.047 0.000 -6.986) 7.622 4.250 ( -0.610 0.000 -3.956) 4.003 4.269 ( -9.056 0.000 -0.364) 9.064 4.390 ( 3.669 0.000 1.443) 3.943 4.411 ( -4.191 0.000 3.429) 5.415 4.501 ( -7.188 0.000 -0.429) 7.201 4.661 ( 0.724 0.000 -8.629) 8.660 4.726 ( -3.319 0.000 3.782) 5.032 4.802 ( 3.836 0.000 -5.809) 6.961 4.893 ( 4.366 0.000 3.740) 5.749 4.971 ( 1.220 0.000 -9.258) 9.338 5.060 ( 8.522 0.000 -8.275) 11.879 5.076 ( 2.701 0.000 1.526) 3.102 5.110 ( -7.728 0.000 1.450) 7.862 5.126 ( 3.788 0.000 -2.643) 4.618 5.220 ( 0.151 0.000 0.495) 0.517 5.328 ( 0.492 0.000 -3.659) 3.692 5.361 ( 3.286 0.000 3.946) 5.135 5.473 ( -5.202 0.000 -1.624) 5.449 5.515 ( 1.434 0.000 -0.026) 1.435 5.570 ( -8.293 0.000 0.497) 8.308 5.636 ( 4.192 0.000 1.422) 4.426 5.724 ( 2.313 0.000 0.029) 2.313 5.938 ( 7.373 0.000 -0.675) 7.403 6.078 ( -7.815 0.000 8.996) 11.917 6.133 ( 0.665 0.000 -2.359) 2.451 6.136 ( 1.339 0.000 -1.551) 2.049 6.342 ( 5.414 0.000 1.572) 5.637 6.375 ( 0.738 0.000 2.794) 2.890 6.395 ( -0.738 0.000 7.741) 7.776 6.500 ( 5.395 0.000 5.492) 7.699 6.565 ( -4.529 0.000 -4.790) 6.592 6.667 ( -6.479 0.000 0.422) 6.493 6.678 ( -6.390 0.000 8.862) 10.926 6.864 ( -4.613 0.000 0.138) 4.615 6.873 ( 2.248 0.000 -5.842) 6.259 6.921 ( 2.957 0.000 -2.797) 4.070 6.983 ( 5.580 0.000 3.504) 6.588 7.016 ( -6.191 0.000 2.522) 6.685 7.101 ( -4.776 0.000 -0.200) 4.781 7.206 ( -2.052 0.000 2.450) 3.195 7.209 ( 3.996 0.000 -11.740) 12.401 7.248 ( 6.291 0.000 2.201) 6.665 7.432 ( 7.751 0.000 5.156) 9.309 7.451 ( -0.274 0.000 9.610) 9.614 7.555 ( 2.923 0.000 6.953) 7.543 7.825 ( -7.119 0.000 2.067) 7.413 7.850 ( 1.474 0.000 -3.067) 3.403 7.956 ( -11.183 0.000 3.083) 11.600 8.168 ( 5.566 0.000 -2.689) 6.181 8.192 ( 0.903 0.000 -5.428) 5.502 8.241 ( -0.162 0.000 1.243) 1.254 8.267 ( 5.991 0.000 3.180) 6.783 8.368 ( 2.626 0.000 -5.166) 5.795 8.521 ( 1.762 0.000 -10.810) 10.953 8.578 ( -2.554 0.000 -1.460) 2.941 8.672 ( -1.307 0.000 7.393) 7.508 8.707 ( -2.694 0.000 3.797) 4.655 8.797 ( 1.931 0.000 0.928) 2.142 9.035 ( 11.123 0.000 -3.818) 11.760 9.155 ( 12.058 0.000 5.002) 13.054 9.171 ( 4.981 0.000 -0.439) 5.000 9.324 ( 9.492 0.000 -10.688) 14.294 9.368 ( 7.533 0.000 -9.891) 12.433 9.489 ( 5.619 0.000 -3.030) 6.383 9.699 ( -0.147 0.000 1.157) 1.166 9.962 ( 2.736 0.000 -2.065) 3.428 10.068 ( 4.424 0.000 -8.016) 9.155 10.481 ( -0.371 0.000 22.984) 22.987 11.094 ( -7.200 0.000 -5.331) 8.959 16.470 ( 0.558 0.000 0.460) 0.723 16.535 ( 1.773 0.000 -1.022) 2.047 16.812 ( -2.214 0.000 1.697) 2.790 16.922 ( 0.017 0.000 -1.140) 1.140 17.491 ( -0.705 0.000 0.857) 1.110 17.510 ( -0.230 0.000 0.371) 0.437 17.883 ( -1.015 0.000 -2.654) 2.841 17.885 ( 1.571 0.000 -0.000) 1.571 18.049 ( -0.090 0.000 1.606) 1.608 18.084 ( -4.346 0.000 2.199) 4.871 18.157 ( -1.959 0.000 -0.733) 2.091 18.205 ( -1.405 0.000 0.601) 1.528 18.504 ( -7.035 0.000 4.362) 8.278 18.706 ( -6.579 0.000 -4.705) 8.089 18.889 ( -7.486 0.000 2.494) 7.890 18.982 ( -6.077 0.000 -2.315) 6.503 21.369 ( 0.387 0.000 0.436) 0.583 21.410 ( 1.609 0.000 -2.230) 2.750 21.492 ( 1.342 0.000 -0.015) 1.342 21.492 ( -0.122 0.000 -0.543) 0.557 21.818 ( -0.266 0.000 -0.188) 0.325 21.828 ( 0.325 0.000 -0.318) 0.455 21.875 ( -0.746 0.000 1.302) 1.501 21.917 ( -2.085 0.000 0.470) 2.138 26.763 ( -0.051 0.000 0.587) 0.589 26.800 ( 0.035 0.000 -0.579) 0.580 26.944 ( -0.361 0.000 -0.043) 0.363 26.959 ( 0.050 0.000 -0.002) 0.050 27.199 ( 1.605 0.000 0.470) 1.672 27.222 ( 1.630 0.000 -0.293) 1.656 27.282 ( 0.764 0.000 0.497) 0.912 27.313 ( 0.937 0.000 -0.559) 1.091 35.250 ( -9.374 0.000 -2.474) 9.695 35.368 ( 1.955 0.000 5.145) 5.504 35.731 ( -4.452 0.000 -3.636) 5.748 35.797 ( 4.751 0.000 1.691) 5.043 36.238 ( -2.888 0.000 1.029) 3.066 36.325 ( -1.487 0.000 -0.577) 1.595 37.363 ( -10.239 0.000 -4.570) 11.213 37.534 ( -33.661 0.000 19.440) 38.871 38.155 ( -9.302 0.000 0.061) 9.303 38.409 ( 0.962 0.000 1.394) 1.694 38.556 ( 0.208 0.000 0.524) 0.563 38.700 ( 5.076 0.000 -3.954) 6.434 38.900 ( 16.990 0.000 2.194) 17.131 39.038 ( 59.612 0.000 -29.757) 66.626 39.478 ( -1.695 0.000 -9.304) 9.457 39.572 ( 20.319 0.000 15.540) 25.580 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 5.953 0.000 16.092) 17.158 1.367 ( 10.830 0.000 6.805) 12.790 1.749 ( 8.217 0.000 -7.838) 11.356 1.943 ( -2.079 0.000 -17.567) 17.690 2.075 ( 13.972 0.000 1.071) 14.013 2.174 ( 7.604 0.000 5.727) 9.520 2.412 ( -0.818 0.000 2.695) 2.817 2.430 ( -4.640 0.000 -0.047) 4.640 2.574 ( 20.946 0.000 1.052) 20.973 2.639 ( -1.213 0.000 -10.079) 10.152 2.782 ( -1.908 0.000 8.080) 8.302 2.834 ( -5.681 0.000 -0.137) 5.682 2.953 ( 19.717 0.000 -7.318) 21.031 3.079 ( 11.001 0.000 2.965) 11.393 3.171 ( 10.656 0.000 6.167) 12.312 3.187 ( 2.659 0.000 -2.969) 3.986 3.303 ( 11.048 0.000 2.575) 11.344 3.340 ( -0.287 0.000 2.843) 2.857 3.515 ( 0.254 0.000 1.231) 1.257 3.558 ( 6.378 0.000 -5.012) 8.112 3.642 ( 8.304 0.000 3.035) 8.841 3.701 ( -0.462 0.000 -3.702) 3.731 3.790 ( 0.028 0.000 -2.026) 2.026 3.830 ( -3.458 0.000 4.259) 5.486 3.979 ( -5.414 0.000 -0.607) 5.447 4.020 ( -8.765 0.000 -5.442) 10.316 4.139 ( 2.930 0.000 -0.694) 3.011 4.232 ( 5.197 0.000 4.932) 7.165 4.298 ( 8.620 0.000 -7.018) 11.116 4.359 ( -5.140 0.000 2.761) 5.834 4.429 ( 0.652 0.000 -0.069) 0.656 4.460 ( 2.982 0.000 1.753) 3.459 4.638 ( 2.133 0.000 -2.020) 2.938 4.682 ( -2.093 0.000 -0.212) 2.104 4.778 ( 3.765 0.000 -9.899) 10.590 4.910 ( -1.819 0.000 -1.893) 2.625 4.948 ( 1.463 0.000 -0.570) 1.570 5.011 ( -5.371 0.000 0.394) 5.385 5.052 ( 4.092 0.000 -11.819) 12.507 5.176 ( 1.054 0.000 8.022) 8.091 5.178 ( -6.889 0.000 -2.538) 7.342 5.215 ( 5.663 0.000 0.989) 5.749 5.308 ( 0.635 0.000 3.051) 3.116 5.426 ( 4.306 0.000 -2.872) 5.176 5.445 ( -1.475 0.000 2.565) 2.959 5.520 ( -2.249 0.000 5.376) 5.828 5.520 ( 4.118 0.000 -1.061) 4.252 5.785 ( 9.236 0.000 3.598) 9.912 5.812 ( 4.802 0.000 2.250) 5.303 5.926 ( 1.091 0.000 -5.681) 5.784 5.987 ( -9.289 0.000 2.438) 9.604 6.124 ( 1.507 0.000 -2.000) 2.505 6.261 ( 1.258 0.000 0.073) 1.260 6.350 ( 4.322 0.000 -5.766) 7.206 6.400 ( -1.848 0.000 2.841) 3.389 6.401 ( -1.723 0.000 0.159) 1.730 6.529 ( -0.797 0.000 5.237) 5.297 6.536 ( -3.977 0.000 -0.765) 4.050 6.580 ( -4.598 0.000 2.249) 5.118 6.748 ( 2.917 0.000 7.923) 8.443 6.811 ( -2.251 0.000 -1.961) 2.986 6.829 ( -0.689 0.000 -7.618) 7.649 6.874 ( 0.341 0.000 -2.076) 2.104 6.935 ( -1.886 0.000 -4.927) 5.275 6.964 ( -3.079 0.000 -1.003) 3.238 7.165 ( 6.679 0.000 7.402) 9.970 7.224 ( 3.834 0.000 -6.915) 7.906 7.262 ( -0.748 0.000 6.055) 6.101 7.335 ( 1.816 0.000 0.331) 1.846 7.526 ( -1.434 0.000 2.518) 2.898 7.543 ( -2.439 0.000 10.407) 10.689 7.682 ( 1.296 0.000 0.957) 1.611 7.757 ( -0.465 0.000 5.857) 5.875 7.840 ( -4.209 0.000 2.718) 5.010 7.855 ( 3.474 0.000 -2.811) 4.469 8.142 ( 3.778 0.000 -9.883) 10.580 8.165 ( -1.011 0.000 -1.817) 2.079 8.261 ( -0.446 0.000 3.578) 3.606 8.378 ( 3.309 0.000 -4.456) 5.550 8.384 ( -0.714 0.000 3.585) 3.655 8.418 ( 5.749 0.000 -10.263) 11.763 8.559 ( 3.677 0.000 -2.191) 4.281 8.722 ( -1.351 0.000 4.624) 4.817 8.722 ( -0.911 0.000 3.251) 3.377 8.935 ( 6.197 0.000 9.208) 11.099 9.165 ( 8.669 0.000 -2.769) 9.101 9.235 ( 4.592 0.000 -3.889) 6.017 9.375 ( 5.097 0.000 7.966) 9.457 9.384 ( 7.555 0.000 -7.777) 10.842 9.406 ( 11.019 0.000 -6.519) 12.803 9.557 ( 9.646 0.000 -9.281) 13.386 9.708 ( -0.960 0.000 2.300) 2.492 10.000 ( 3.573 0.000 -0.853) 3.673 10.086 ( 8.092 0.000 -8.287) 11.582 10.711 ( -2.915 0.000 22.099) 22.290 10.924 ( -7.114 0.000 -5.362) 8.908 16.496 ( 1.833 0.000 0.551) 1.914 16.557 ( 2.267 0.000 -1.356) 2.641 16.788 ( -2.970 0.000 2.045) 3.606 16.899 ( -1.059 0.000 -1.520) 1.853 17.488 ( -0.551 0.000 0.645) 0.849 17.502 ( -0.810 0.000 -0.155) 0.825 17.846 ( -0.279 0.000 -2.189) 2.207 17.914 ( 1.181 0.000 1.083) 1.603 18.049 ( -2.924 0.000 1.947) 3.513 18.057 ( -0.758 0.000 1.233) 1.447 18.112 ( -2.115 0.000 -1.340) 2.504 18.177 ( -3.327 0.000 1.604) 3.694 18.410 ( -8.809 0.000 3.788) 9.588 18.520 ( -7.717 0.000 -5.813) 9.661 18.753 ( -11.306 0.000 2.863) 11.663 18.817 ( -9.433 0.000 -2.527) 9.765 21.385 ( 0.656 0.000 0.836) 1.062 21.404 ( 0.453 0.000 -1.665) 1.726 21.487 ( 0.184 0.000 -0.466) 0.501 21.507 ( 0.705 0.000 -0.333) 0.779 21.814 ( -0.040 0.000 -0.103) 0.110 21.830 ( 0.187 0.000 -0.230) 0.297 21.871 ( -0.951 0.000 0.678) 1.168 21.892 ( -1.512 0.000 0.423) 1.570 26.769 ( 0.044 0.000 0.481) 0.483 26.794 ( 0.003 0.000 -0.551) 0.551 26.940 ( 0.015 0.000 -0.137) 0.138 26.957 ( -0.074 0.000 -0.194) 0.207 27.240 ( 2.431 0.000 0.508) 2.483 27.254 ( 2.551 0.000 -0.494) 2.599 27.307 ( 1.404 0.000 0.570) 1.515 27.325 ( 1.331 0.000 -0.750) 1.528 35.077 ( -8.045 0.000 -1.693) 8.221 35.432 ( -2.095 0.000 5.857) 6.220 35.597 ( -4.377 0.000 -5.781) 7.251 35.877 ( 3.451 0.000 0.117) 3.453 36.222 ( 0.178 0.000 1.542) 1.552 36.293 ( -0.975 0.000 -0.998) 1.396 37.144 ( -6.972 0.000 -8.258) 10.808 37.311 ( -17.694 0.000 14.325) 22.765 38.052 ( -4.875 0.000 2.323) 5.400 38.347 ( -3.479 0.000 -4.095) 5.373 38.675 ( 4.291 0.000 9.268) 10.213 38.705 ( 0.667 0.000 -2.949) 3.024 39.263 ( 20.413 0.000 3.621) 20.732 39.379 ( 3.457 0.000 -9.353) 9.971 39.525 ( 35.241 0.000 -24.954) 43.182 40.114 ( 19.284 0.000 18.744) 26.893 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 2.157 0.000 9.620) 9.859 1.455 ( 0.412 0.000 -0.078) 0.419 1.720 ( -0.069 0.000 -13.724) 13.724 1.926 ( 15.535 0.000 -1.070) 15.572 2.237 ( 1.528 0.000 -6.521) 6.697 2.311 ( 5.565 0.000 -1.128) 5.678 2.378 ( -0.777 0.000 0.313) 0.838 2.416 ( 1.677 0.000 5.319) 5.578 2.623 ( -0.399 0.000 2.338) 2.372 2.707 ( -10.914 0.000 4.381) 11.761 2.719 ( 0.020 0.000 -0.958) 0.958 2.813 ( 6.581 0.000 4.889) 8.198 3.035 ( -0.478 0.000 -4.241) 4.268 3.293 ( -0.074 0.000 1.075) 1.077 3.335 ( 8.756 0.000 0.974) 8.809 3.338 ( 3.479 0.000 5.954) 6.896 3.460 ( -6.972 0.000 2.943) 7.567 3.538 ( 3.188 0.000 -8.828) 9.386 3.566 ( 12.762 0.000 -0.351) 12.766 3.583 ( 17.686 0.000 7.675) 19.280 3.642 ( -0.550 0.000 1.593) 1.686 3.713 ( 1.866 0.000 -5.344) 5.660 3.799 ( -3.864 0.000 1.822) 4.272 3.818 ( 6.285 0.000 -5.666) 8.462 3.831 ( -7.867 0.000 -1.754) 8.060 3.992 ( 4.460 0.000 5.385) 6.992 4.181 ( 2.066 0.000 -1.590) 2.607 4.322 ( 2.169 0.000 -2.958) 3.668 4.355 ( 6.302 0.000 -4.901) 7.983 4.402 ( 3.748 0.000 10.417) 11.071 4.524 ( 1.522 0.000 0.664) 1.661 4.529 ( 6.735 0.000 4.690) 8.207 4.676 ( 1.941 0.000 1.939) 2.744 4.679 ( 3.859 0.000 -3.420) 5.157 4.769 ( 7.558 0.000 -7.682) 10.777 4.862 ( -3.025 0.000 1.292) 3.289 4.916 ( -5.969 0.000 -1.639) 6.189 4.960 ( 1.439 0.000 -1.206) 1.877 4.970 ( -2.162 0.000 -5.482) 5.893 5.059 ( 1.207 0.000 -6.553) 6.664 5.211 ( -4.658 0.000 2.597) 5.333 5.267 ( -2.622 0.000 0.991) 2.804 5.371 ( 1.725 0.000 4.624) 4.935 5.410 ( -3.369 0.000 4.759) 5.831 5.514 ( 8.302 0.000 -1.201) 8.389 5.578 ( 0.515 0.000 5.470) 5.494 5.636 ( 7.785 0.000 1.292) 7.892 5.860 ( -4.366 0.000 -1.557) 4.635 5.889 ( 0.086 0.000 -0.532) 0.539 5.918 ( 2.709 0.000 -0.336) 2.730 6.004 ( 9.023 0.000 6.030) 10.852 6.119 ( -2.032 0.000 0.236) 2.045 6.158 ( -3.265 0.000 -3.493) 4.781 6.339 ( -3.731 0.000 0.377) 3.750 6.343 ( -4.878 0.000 -1.433) 5.084 6.404 ( 3.045 0.000 -5.052) 5.899 6.477 ( -0.735 0.000 -0.669) 0.994 6.526 ( -3.116 0.000 1.736) 3.567 6.613 ( -0.205 0.000 0.606) 0.640 6.709 ( 2.483 0.000 -6.478) 6.937 6.722 ( -1.847 0.000 -3.479) 3.939 6.877 ( 0.413 0.000 4.731) 4.749 6.893 ( 3.881 0.000 -0.836) 3.970 6.932 ( -0.543 0.000 0.179) 0.572 6.980 ( 4.217 0.000 3.623) 5.560 7.174 ( 0.103 0.000 -5.886) 5.887 7.223 ( -9.897 0.000 5.987) 11.567 7.289 ( 0.330 0.000 1.586) 1.620 7.342 ( 1.716 0.000 -3.441) 3.845 7.497 ( 2.691 0.000 -8.875) 9.274 7.562 ( -4.070 0.000 3.563) 5.409 7.676 ( -1.888 0.000 5.631) 5.939 7.835 ( 2.238 0.000 0.459) 2.285 7.890 ( 2.095 0.000 -0.788) 2.238 7.904 ( 3.617 0.000 4.573) 5.831 8.129 ( 6.167 0.000 -6.299) 8.815 8.135 ( -0.494 0.000 -2.353) 2.404 8.283 ( -1.035 0.000 4.379) 4.500 8.341 ( -1.225 0.000 -0.638) 1.381 8.399 ( 1.434 0.000 0.691) 1.592 8.490 ( 4.183 0.000 -0.021) 4.183 8.621 ( 6.083 0.000 -3.696) 7.118 8.738 ( -0.016 0.000 1.552) 1.552 8.754 ( -0.903 0.000 4.958) 5.039 9.119 ( 3.407 0.000 6.251) 7.119 9.241 ( 2.146 0.000 -2.868) 3.582 9.252 ( 7.081 0.000 -6.099) 9.346 9.443 ( 5.355 0.000 -0.753) 5.408 9.531 ( 3.496 0.000 5.849) 6.814 9.547 ( 11.935 0.000 -4.102) 12.620 9.622 ( 11.355 0.000 -9.865) 15.042 9.716 ( -1.611 0.000 3.477) 3.832 10.056 ( 3.281 0.000 -0.124) 3.284 10.150 ( 9.237 0.000 -7.876) 12.139 10.737 ( -9.034 0.000 -3.306) 9.620 10.802 ( -11.105 0.000 15.652) 19.191 16.540 ( 2.480 0.000 0.607) 2.553 16.582 ( 2.696 0.000 -1.656) 3.164 16.757 ( -3.351 0.000 2.138) 3.975 16.856 ( -1.694 0.000 -1.805) 2.476 17.486 ( -0.632 0.000 -0.184) 0.658 17.487 ( -0.351 0.000 0.472) 0.589 17.830 ( 0.673 0.000 -1.214) 1.388 17.943 ( 0.386 0.000 1.269) 1.326 18.020 ( -2.457 0.000 1.025) 2.662 18.049 ( -1.562 0.000 0.666) 1.698 18.065 ( -1.478 0.000 -1.126) 1.858 18.131 ( -4.187 0.000 1.949) 4.618 18.306 ( -7.222 0.000 2.671) 7.700 18.357 ( -3.507 0.000 -5.669) 6.666 18.600 ( -10.014 0.000 3.378) 10.569 18.645 ( -7.318 0.000 -1.773) 7.529 21.396 ( 0.378 0.000 -0.975) 1.045 21.404 ( 0.239 0.000 0.977) 1.006 21.490 ( 0.439 0.000 0.062) 0.443 21.511 ( 0.232 0.000 -0.145) 0.274 21.815 ( 0.252 0.000 -0.040) 0.255 21.830 ( 0.123 0.000 -0.211) 0.244 21.859 ( -0.741 0.000 -0.072) 0.745 21.873 ( -1.117 0.000 0.083) 1.120 26.773 ( 0.019 0.000 0.255) 0.256 26.789 ( 0.108 0.000 -0.464) 0.476 26.942 ( 0.217 0.000 0.080) 0.231 26.955 ( 0.043 0.000 -0.125) 0.132 27.284 ( 1.984 0.000 0.443) 2.033 27.291 ( 2.350 0.000 -0.580) 2.420 27.335 ( 0.946 0.000 0.738) 1.199 27.343 ( 1.447 0.000 -0.431) 1.510 34.956 ( -5.079 0.000 -0.058) 5.079 35.391 ( -5.111 0.000 -1.225) 5.256 35.521 ( -0.349 0.000 -0.269) 0.441 35.915 ( 2.053 0.000 -1.377) 2.472 36.274 ( 0.277 0.000 -1.665) 1.688 36.275 ( 2.490 0.000 2.764) 3.720 36.969 ( -3.178 0.000 -7.439) 8.090 37.190 ( -11.896 0.000 8.348) 14.533 38.024 ( -2.657 0.000 3.281) 4.222 38.258 ( -1.291 0.000 -4.136) 4.333 38.675 ( -0.225 0.000 -2.425) 2.436 38.811 ( -0.734 0.000 7.302) 7.339 39.372 ( 8.337 0.000 -7.967) 11.532 39.607 ( 15.261 0.000 2.359) 15.442 39.812 ( 21.848 0.000 -9.828) 23.957 40.531 ( 6.901 0.000 14.917) 16.436 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -3.647 0.000 5.853) 6.896 1.492 ( 2.111 0.000 4.714) 5.165 1.702 ( 7.239 0.000 -0.933) 7.299 2.097 ( -7.298 0.000 -1.094) 7.379 2.203 ( 18.131 0.000 -11.023) 21.219 2.278 ( -0.618 0.000 -5.576) 5.610 2.375 ( 1.335 0.000 -1.919) 2.338 2.454 ( -1.044 0.000 -0.161) 1.057 2.559 ( -10.525 0.000 2.068) 10.726 2.655 ( 0.581 0.000 0.948) 1.112 2.812 ( 1.593 0.000 3.541) 3.883 2.942 ( 2.781 0.000 3.140) 4.195 2.992 ( 0.273 0.000 1.969) 1.988 3.257 ( -7.029 0.000 2.408) 7.430 3.315 ( -4.386 0.000 1.390) 4.601 3.341 ( 0.645 0.000 -0.229) 0.684 3.439 ( -2.907 0.000 6.805) 7.400 3.568 ( 5.013 0.000 -5.842) 7.698 3.636 ( -0.782 0.000 1.959) 2.109 3.646 ( -0.438 0.000 -4.532) 4.553 3.715 ( -3.708 0.000 -0.848) 3.804 3.749 ( 6.504 0.000 -0.264) 6.510 3.763 ( -2.013 0.000 1.785) 2.691 3.896 ( 7.869 0.000 2.365) 8.217 3.930 ( 7.265 0.000 3.154) 7.920 4.079 ( 0.754 0.000 0.729) 1.049 4.212 ( 0.347 0.000 2.926) 2.947 4.299 ( 1.380 0.000 -6.550) 6.694 4.411 ( 5.603 0.000 -3.692) 6.710 4.494 ( -1.973 0.000 -3.968) 4.431 4.553 ( -1.819 0.000 7.180) 7.407 4.690 ( 2.652 0.000 2.141) 3.408 4.709 ( 5.134 0.000 -6.225) 8.069 4.731 ( 5.993 0.000 3.281) 6.832 4.779 ( -7.512 0.000 1.811) 7.727 4.795 ( -2.406 0.000 -0.810) 2.539 4.855 ( 2.044 0.000 -2.208) 3.009 4.926 ( 0.122 0.000 1.221) 1.227 4.971 ( 1.089 0.000 -1.079) 1.533 5.103 ( 9.627 0.000 -1.165) 9.697 5.187 ( 2.361 0.000 -0.299) 2.380 5.218 ( -2.739 0.000 1.047) 2.932 5.374 ( -9.939 0.000 6.268) 11.750 5.429 ( 0.486 0.000 3.198) 3.234 5.600 ( -1.808 0.000 1.632) 2.435 5.655 ( 6.280 0.000 1.417) 6.437 5.760 ( 1.445 0.000 -2.409) 2.810 5.813 ( 1.665 0.000 -2.457) 2.968 5.855 ( 2.312 0.000 2.794) 3.627 5.960 ( -0.462 0.000 1.960) 2.014 6.036 ( -7.903 0.000 2.049) 8.165 6.128 ( 1.512 0.000 1.375) 2.044 6.208 ( 4.701 0.000 5.739) 7.418 6.288 ( -1.133 0.000 3.186) 3.382 6.300 ( -1.670 0.000 -0.979) 1.936 6.377 ( 0.171 0.000 -5.595) 5.598 6.431 ( -0.888 0.000 -6.547) 6.607 6.474 ( 0.446 0.000 -1.477) 1.543 6.635 ( 0.706 0.000 1.780) 1.915 6.669 ( -0.467 0.000 -1.861) 1.919 6.743 ( 3.679 0.000 0.218) 3.685 6.888 ( -2.200 0.000 -1.326) 2.569 6.934 ( 0.124 0.000 0.395) 0.414 6.954 ( 3.777 0.000 0.314) 3.790 7.038 ( -0.140 0.000 0.352) 0.379 7.107 ( -7.202 0.000 1.554) 7.367 7.185 ( 3.522 0.000 0.764) 3.604 7.253 ( -2.312 0.000 -2.438) 3.360 7.334 ( 3.252 0.000 -5.477) 6.369 7.453 ( 0.600 0.000 -4.516) 4.556 7.514 ( -2.790 0.000 0.569) 2.848 7.699 ( -1.168 0.000 1.526) 1.921 7.823 ( 0.016 0.000 -5.556) 5.556 7.894 ( -0.176 0.000 -1.345) 1.356 7.959 ( 0.655 0.000 -2.451) 2.537 8.086 ( -0.115 0.000 -5.456) 5.457 8.227 ( 5.262 0.000 3.591) 6.370 8.325 ( -1.543 0.000 6.422) 6.605 8.349 ( -0.461 0.000 5.077) 5.098 8.424 ( -0.104 0.000 1.506) 1.510 8.544 ( 2.211 0.000 0.262) 2.226 8.658 ( 2.542 0.000 -3.268) 4.140 8.754 ( -0.103 0.000 1.467) 1.470 8.794 ( -0.770 0.000 4.538) 4.603 9.108 ( -2.588 0.000 -4.577) 5.259 9.279 ( 4.749 0.000 -7.136) 8.572 9.322 ( 2.873 0.000 5.575) 6.272 9.497 ( 0.441 0.000 -0.482) 0.653 9.590 ( 0.079 0.000 1.356) 1.358 9.675 ( 6.738 0.000 -4.387) 8.041 9.741 ( -0.869 0.000 6.167) 6.228 9.779 ( 13.719 0.000 -2.357) 13.920 10.091 ( 1.220 0.000 -1.130) 1.663 10.209 ( 8.134 0.000 -9.120) 12.220 10.581 ( -6.191 0.000 0.192) 6.194 10.693 ( -15.196 0.000 7.980) 17.163 16.579 ( 1.002 0.000 0.367) 1.067 16.613 ( 2.970 0.000 -1.627) 3.387 16.722 ( -3.434 0.000 1.940) 3.945 16.817 ( -0.175 0.000 -1.605) 1.615 17.480 ( -0.110 0.000 0.160) 0.194 17.485 ( -0.341 0.000 0.284) 0.444 17.842 ( 1.325 0.000 0.161) 1.335 17.941 ( -1.244 0.000 -0.258) 1.270 17.992 ( -1.324 0.000 0.081) 1.327 18.022 ( -1.128 0.000 -0.679) 1.317 18.049 ( 0.195 0.000 0.078) 0.210 18.085 ( -3.308 0.000 1.509) 3.636 18.236 ( -3.508 0.000 1.558) 3.838 18.295 ( 2.299 0.000 -3.951) 4.571 18.504 ( -5.702 0.000 3.693) 6.793 18.557 ( -1.600 0.000 -0.134) 1.606 21.397 ( 0.626 0.000 -0.307) 0.697 21.409 ( -0.513 0.000 0.281) 0.585 21.500 ( 0.142 0.000 0.725) 0.739 21.516 ( 0.279 0.000 0.287) 0.400 21.820 ( 0.276 0.000 -0.082) 0.288 21.830 ( 0.177 0.000 -0.207) 0.273 21.848 ( -0.212 0.000 -0.383) 0.438 21.857 ( -0.742 0.000 -0.225) 0.775 26.774 ( -0.108 0.000 0.014) 0.109 26.787 ( 0.222 0.000 -0.382) 0.441 26.948 ( 0.188 0.000 0.423) 0.462 26.957 ( 0.123 0.000 0.185) 0.222 27.311 ( 0.578 0.000 0.287) 0.646 27.318 ( 1.442 0.000 -0.392) 1.494 27.351 ( -0.150 0.000 0.807) 0.821 27.361 ( 0.799 0.000 0.078) 0.802 34.910 ( -1.478 0.000 1.899) 2.406 35.293 ( -1.799 0.000 -5.176) 5.480 35.541 ( 0.285 0.000 3.541) 3.552 35.922 ( 1.340 0.000 -2.509) 2.844 36.264 ( 1.005 0.000 -2.064) 2.295 36.320 ( -0.691 0.000 1.010) 1.224 36.910 ( 3.280 0.000 -2.353) 4.037 37.078 ( -8.707 0.000 2.752) 9.132 38.017 ( -2.436 0.000 2.929) 3.810 38.224 ( 1.890 0.000 -3.063) 3.599 38.661 ( 1.143 0.000 -1.270) 1.708 38.789 ( -4.715 0.000 -1.190) 4.862 39.483 ( 7.336 0.000 1.607) 7.510 39.789 ( 4.751 0.000 -0.840) 4.825 40.072 ( 13.842 0.000 2.899) 14.142 40.639 ( -6.596 0.000 5.074) 8.322 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -12.441 0.000 2.032) 12.606 1.618 ( 0.140 0.000 10.767) 10.768 1.851 ( -11.105 0.000 -8.781) 14.157 1.890 ( 8.544 0.000 5.778) 10.314 2.231 ( 5.431 0.000 -5.952) 8.057 2.314 ( 6.717 0.000 -15.208) 16.625 2.398 ( -2.742 0.000 1.079) 2.947 2.485 ( 6.812 0.000 1.992) 7.097 2.515 ( -10.828 0.000 -4.019) 11.550 2.530 ( 8.435 0.000 2.906) 8.922 2.844 ( -1.746 0.000 5.482) 5.754 2.937 ( -6.322 0.000 2.209) 6.697 3.101 ( 4.088 0.000 6.610) 7.772 3.167 ( -5.622 0.000 2.360) 6.097 3.324 ( 3.251 0.000 0.101) 3.253 3.420 ( -4.009 0.000 1.354) 4.232 3.432 ( 4.311 0.000 2.935) 5.215 3.564 ( 3.376 0.000 -6.045) 6.923 3.606 ( -3.044 0.000 -0.350) 3.064 3.623 ( -3.918 0.000 2.624) 4.716 3.702 ( -0.695 0.000 0.545) 0.883 3.756 ( -1.066 0.000 0.126) 1.073 3.765 ( -0.792 0.000 -0.537) 0.957 3.904 ( -5.812 0.000 -0.165) 5.814 4.065 ( -7.446 0.000 3.857) 8.386 4.074 ( 3.158 0.000 5.117) 6.013 4.164 ( -0.865 0.000 -6.837) 6.891 4.258 ( -0.678 0.000 -2.111) 2.217 4.384 ( -0.217 0.000 -8.989) 8.992 4.480 ( 2.202 0.000 1.107) 2.465 4.491 ( -6.706 0.000 0.255) 6.711 4.697 ( -5.896 0.000 2.557) 6.427 4.700 ( -0.152 0.000 -4.533) 4.536 4.747 ( -0.245 0.000 8.747) 8.750 4.764 ( 1.956 0.000 -2.647) 3.291 4.845 ( 2.178 0.000 -2.985) 3.695 4.908 ( 5.461 0.000 5.401) 7.681 4.955 ( 0.900 0.000 2.281) 2.452 4.967 ( -0.066 0.000 -0.869) 0.872 5.157 ( 0.095 0.000 -2.749) 2.751 5.222 ( -11.210 0.000 3.541) 11.756 5.254 ( 4.345 0.000 -2.584) 5.056 5.317 ( 5.971 0.000 2.712) 6.558 5.470 ( 0.127 0.000 4.298) 4.300 5.563 ( -3.636 0.000 3.924) 5.350 5.694 ( -3.282 0.000 -1.003) 3.432 5.750 ( 0.054 0.000 5.744) 5.744 5.852 ( 2.796 0.000 -2.013) 3.445 5.887 ( -3.150 0.000 -1.213) 3.375 5.949 ( -4.597 0.000 6.338) 7.830 6.029 ( 3.547 0.000 4.725) 5.908 6.212 ( 4.660 0.000 2.256) 5.177 6.242 ( -3.429 0.000 2.679) 4.351 6.263 ( -2.605 0.000 -1.421) 2.968 6.292 ( 1.370 0.000 -6.768) 6.905 6.325 ( -1.488 0.000 1.178) 1.897 6.411 ( 2.885 0.000 -2.851) 4.056 6.450 ( -0.449 0.000 -1.135) 1.220 6.624 ( -1.411 0.000 -1.266) 1.895 6.708 ( 2.916 0.000 -0.387) 2.942 6.774 ( -0.717 0.000 -8.481) 8.511 6.796 ( 2.016 0.000 -1.751) 2.670 6.970 ( 0.425 0.000 4.215) 4.237 7.008 ( 2.029 0.000 -0.244) 2.044 7.055 ( -0.109 0.000 0.281) 0.301 7.073 ( 1.982 0.000 3.837) 4.319 7.189 ( -3.259 0.000 -1.260) 3.494 7.193 ( -0.558 0.000 -1.782) 1.867 7.311 ( 0.427 0.000 -6.166) 6.180 7.400 ( -1.382 0.000 -4.257) 4.475 7.532 ( 1.167 0.000 4.738) 4.879 7.647 ( -4.201 0.000 -3.416) 5.414 7.772 ( -0.167 0.000 -1.075) 1.088 7.869 ( 0.135 0.000 -2.468) 2.472 7.889 ( -3.125 0.000 -4.995) 5.892 8.030 ( 1.169 0.000 -5.747) 5.864 8.314 ( 1.459 0.000 1.779) 2.301 8.354 ( -2.365 0.000 4.810) 5.361 8.407 ( -1.593 0.000 6.069) 6.274 8.431 ( -0.542 0.000 1.247) 1.360 8.585 ( 0.853 0.000 2.949) 3.070 8.639 ( -0.869 0.000 -2.742) 2.876 8.761 ( -0.921 0.000 1.296) 1.590 8.808 ( -2.661 0.000 2.758) 3.833 9.003 ( -5.337 0.000 -1.626) 5.579 9.260 ( 1.353 0.000 -6.477) 6.617 9.405 ( 1.004 0.000 3.567) 3.706 9.424 ( -5.656 0.000 -3.201) 6.499 9.609 ( -1.152 0.000 3.783) 3.955 9.686 ( 0.625 0.000 -3.137) 3.198 9.780 ( -3.477 0.000 5.462) 6.474 9.954 ( 6.459 0.000 0.508) 6.479 10.064 ( -1.382 0.000 -3.744) 3.991 10.210 ( 4.740 0.000 -11.400) 12.346 10.526 ( -11.146 0.000 4.193) 11.908 10.588 ( 5.284 0.000 4.127) 6.705 16.570 ( -2.012 0.000 -0.056) 2.013 16.635 ( 0.821 0.000 -1.618) 1.815 16.695 ( -1.179 0.000 1.842) 2.187 16.826 ( 2.749 0.000 -1.169) 2.987 17.481 ( -0.312 0.000 0.122) 0.335 17.485 ( 0.344 0.000 0.330) 0.477 17.872 ( 1.099 0.000 1.432) 1.805 17.906 ( -1.418 0.000 -1.615) 2.149 17.986 ( 0.553 0.000 0.104) 0.563 18.016 ( 2.088 0.000 -1.299) 2.459 18.055 ( -1.690 0.000 0.739) 1.845 18.064 ( 0.922 0.000 0.791) 1.215 18.225 ( 0.769 0.000 0.578) 0.962 18.342 ( 7.313 0.000 -2.720) 7.802 18.488 ( -0.825 0.000 3.478) 3.575 18.589 ( 4.491 0.000 1.018) 4.605 21.396 ( -0.833 0.000 -0.231) 0.865 21.410 ( 0.922 0.000 0.217) 0.947 21.506 ( -0.344 0.000 0.741) 0.817 21.528 ( 0.500 0.000 0.746) 0.898 21.821 ( -0.012 0.000 -0.034) 0.036 21.832 ( 0.305 0.000 -0.211) 0.371 21.844 ( -0.229 0.000 -0.708) 0.744 21.844 ( 0.100 0.000 -0.308) 0.324 26.770 ( -0.249 0.000 -0.095) 0.267 26.788 ( 0.341 0.000 -0.319) 0.467 26.956 ( -0.009 0.000 0.593) 0.593 26.961 ( 0.009 0.000 0.248) 0.248 27.308 ( -1.178 0.000 0.135) 1.186 27.325 ( -0.387 0.000 -0.310) 0.496 27.350 ( -0.874 0.000 0.913) 1.264 27.368 ( -0.186 0.000 0.296) 0.350 34.946 ( 2.113 0.000 3.623) 4.194 35.224 ( 1.145 0.000 -6.723) 6.820 35.602 ( 1.330 0.000 5.069) 5.240 35.903 ( 0.524 0.000 -4.421) 4.452 36.267 ( 1.375 0.000 -0.794) 1.588 36.278 ( -3.284 0.000 -0.978) 3.427 36.954 ( -6.150 0.000 -2.493) 6.636 37.019 ( 8.257 0.000 2.819) 8.725 38.004 ( -2.068 0.000 2.271) 3.071 38.256 ( 5.013 0.000 -1.962) 5.383 38.665 ( -5.770 0.000 -4.080) 7.067 38.690 ( 2.700 0.000 0.422) 2.733 39.602 ( 1.590 0.000 4.994) 5.241 39.744 ( -7.152 0.000 -3.373) 7.908 40.347 ( 8.041 0.000 14.151) 16.276 40.440 ( -16.487 0.000 -4.602) 17.117 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -19.434 0.000 0.100) 19.434 1.376 ( -22.548 0.000 -7.855) 23.877 1.874 ( 2.111 0.000 11.992) 12.177 1.966 ( -1.610 0.000 -4.820) 5.082 2.184 ( 1.062 0.000 -15.670) 15.706 2.275 ( -0.671 0.000 -1.847) 1.965 2.424 ( 3.317 0.000 1.139) 3.507 2.481 ( 12.039 0.000 6.488) 13.677 2.606 ( 1.564 0.000 0.533) 1.652 2.760 ( 11.034 0.000 4.591) 11.951 2.847 ( -4.222 0.000 2.079) 4.706 2.891 ( -0.879 0.000 7.425) 7.477 3.108 ( -6.887 0.000 3.961) 7.945 3.226 ( 3.075 0.000 4.942) 5.820 3.286 ( -7.039 0.000 -6.225) 9.397 3.347 ( -8.780 0.000 -4.728) 9.972 3.363 ( -13.357 0.000 1.444) 13.435 3.494 ( -13.159 0.000 -2.295) 13.358 3.496 ( -4.478 0.000 1.566) 4.744 3.592 ( -2.410 0.000 1.222) 2.703 3.682 ( 6.647 0.000 -1.087) 6.735 3.708 ( -3.579 0.000 -1.539) 3.896 3.768 ( -8.886 0.000 3.423) 9.522 3.828 ( 3.396 0.000 0.339) 3.413 4.002 ( -1.497 0.000 1.526) 2.137 4.097 ( 0.474 0.000 -4.301) 4.327 4.140 ( 0.746 0.000 3.580) 3.657 4.232 ( -1.847 0.000 1.418) 2.329 4.304 ( 2.015 0.000 -8.276) 8.518 4.367 ( -6.782 0.000 0.235) 6.786 4.522 ( 0.069 0.000 2.532) 2.533 4.616 ( -4.533 0.000 -3.044) 5.460 4.647 ( -4.250 0.000 3.327) 5.397 4.766 ( 2.994 0.000 -4.400) 5.322 4.843 ( 1.319 0.000 4.489) 4.679 4.893 ( 4.576 0.000 -0.951) 4.673 4.966 ( -1.636 0.000 6.758) 6.953 5.024 ( 6.145 0.000 -0.560) 6.171 5.031 ( 2.247 0.000 5.177) 5.643 5.098 ( -4.629 0.000 0.899) 4.716 5.123 ( 1.601 0.000 -6.144) 6.350 5.271 ( 1.365 0.000 -5.377) 5.548 5.336 ( 1.094 0.000 -4.904) 5.024 5.497 ( -3.982 0.000 5.904) 7.122 5.610 ( -2.168 0.000 9.820) 10.057 5.641 ( -3.926 0.000 2.207) 4.504 5.776 ( -9.273 0.000 11.417) 14.708 5.793 ( -4.090 0.000 -3.833) 5.606 5.853 ( -1.247 0.000 6.398) 6.519 5.952 ( -5.261 0.000 0.944) 5.345 6.090 ( 0.903 0.000 -8.875) 8.921 6.115 ( -5.413 0.000 1.453) 5.605 6.236 ( 6.498 0.000 -4.450) 7.875 6.284 ( 0.805 0.000 -2.819) 2.932 6.307 ( -4.025 0.000 4.826) 6.284 6.340 ( 5.670 0.000 0.739) 5.718 6.438 ( -0.020 0.000 -0.472) 0.473 6.445 ( 1.971 0.000 -0.381) 2.008 6.542 ( -4.989 0.000 -10.443) 11.574 6.607 ( 0.337 0.000 1.940) 1.969 6.777 ( 0.334 0.000 -3.984) 3.998 6.843 ( 5.228 0.000 -6.538) 8.371 6.980 ( -3.642 0.000 -0.622) 3.695 7.001 ( -1.839 0.000 -1.389) 2.305 7.067 ( 1.205 0.000 -2.036) 2.366 7.096 ( -0.640 0.000 1.442) 1.578 7.156 ( 0.662 0.000 4.337) 4.387 7.209 ( -0.008 0.000 0.030) 0.031 7.284 ( 2.839 0.000 1.519) 3.220 7.325 ( -2.266 0.000 -3.178) 3.903 7.515 ( -2.059 0.000 -9.442) 9.664 7.593 ( -1.898 0.000 6.409) 6.684 7.763 ( -4.021 0.000 1.623) 4.337 7.820 ( 0.151 0.000 1.906) 1.912 7.858 ( 2.116 0.000 -3.357) 3.968 8.021 ( 4.201 0.000 -4.161) 5.913 8.324 ( -2.125 0.000 1.637) 2.683 8.348 ( -2.937 0.000 2.294) 3.727 8.414 ( -3.494 0.000 4.150) 5.425 8.442 ( 0.944 0.000 0.566) 1.101 8.579 ( -3.015 0.000 -1.656) 3.440 8.612 ( -2.061 0.000 2.558) 3.285 8.748 ( -0.140 0.000 -1.936) 1.941 8.759 ( -4.972 0.000 0.195) 4.976 8.907 ( -6.926 0.000 3.648) 7.828 9.163 ( -3.611 0.000 -8.245) 9.001 9.308 ( -4.923 0.000 0.279) 4.931 9.426 ( -2.857 0.000 2.341) 3.693 9.617 ( -2.893 0.000 3.567) 4.592 9.656 ( -0.560 0.000 -0.917) 1.075 9.737 ( -4.270 0.000 -1.026) 4.392 9.966 ( -4.423 0.000 -4.559) 6.352 10.005 ( 1.066 0.000 -1.410) 1.768 10.134 ( -1.036 0.000 -7.252) 7.325 10.409 ( -7.661 0.000 2.647) 8.106 10.819 ( 12.285 0.000 8.486) 14.931 16.528 ( -2.638 0.000 0.008) 2.638 16.604 ( -1.944 0.000 -1.127) 2.247 16.726 ( 1.895 0.000 1.356) 2.330 16.865 ( 3.066 0.000 -1.310) 3.334 17.479 ( -0.106 0.000 0.137) 0.173 17.495 ( 0.398 0.000 0.166) 0.431 17.864 ( -1.072 0.000 -2.262) 2.503 17.908 ( 0.858 0.000 2.207) 2.368 18.007 ( 0.775 0.000 1.529) 1.714 18.039 ( -0.846 0.000 -0.101) 0.852 18.064 ( 4.669 0.000 -0.916) 4.758 18.101 ( 2.549 0.000 0.492) 2.596 18.270 ( 4.063 0.000 0.089) 4.064 18.473 ( 11.141 0.000 -2.649) 11.452 18.551 ( 4.142 0.000 3.055) 5.147 18.716 ( 8.965 0.000 0.863) 9.007 21.380 ( -0.755 0.000 -0.300) 0.812 21.431 ( 1.089 0.000 0.417) 1.166 21.506 ( -0.391 0.000 0.507) 0.640 21.547 ( 0.589 0.000 0.938) 1.108 21.820 ( -0.186 0.000 0.205) 0.277 21.831 ( 0.011 0.000 -1.427) 1.427 21.835 ( 0.440 0.000 -0.580) 0.728 21.844 ( -0.001 0.000 0.239) 0.239 26.765 ( -0.336 0.000 -0.035) 0.337 26.792 ( 0.483 0.000 -0.283) 0.560 26.959 ( -0.240 0.000 0.448) 0.508 26.961 ( -0.133 0.000 0.005) 0.133 27.277 ( -2.467 0.000 0.022) 2.467 27.300 ( -2.115 0.000 -0.164) 2.121 27.340 ( -1.460 0.000 0.652) 1.599 27.361 ( -0.973 0.000 0.238) 1.002 35.053 ( 5.107 0.000 4.684) 6.929 35.187 ( 3.132 0.000 -7.052) 7.716 35.687 ( 2.125 0.000 4.945) 5.383 35.838 ( -1.144 0.000 -6.962) 7.055 36.222 ( -1.953 0.000 -0.355) 1.985 36.297 ( 1.493 0.000 1.759) 2.307 36.818 ( -4.017 0.000 -6.864) 7.953 37.212 ( 9.023 0.000 4.935) 10.285 38.011 ( 0.308 0.000 2.487) 2.506 38.340 ( 7.246 0.000 -2.714) 7.738 38.529 ( -5.796 0.000 -1.964) 6.120 38.751 ( 2.792 0.000 1.977) 3.420 39.504 ( -15.710 0.000 -3.736) 16.148 39.629 ( -4.135 0.000 3.855) 5.653 40.017 ( -22.966 0.000 -10.714) 25.342 40.646 ( 4.358 0.000 22.478) 22.897 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -22.456 0.000 5.875) 23.212 0.888 ( -25.953 0.000 -3.635) 26.207 1.822 ( -4.117 0.000 -6.744) 7.901 1.871 ( -26.031 0.000 12.946) 29.073 2.045 ( 2.362 0.000 -16.368) 16.538 2.336 ( 7.915 0.000 -0.113) 7.916 2.493 ( -8.948 0.000 7.738) 11.830 2.516 ( 0.964 0.000 -1.647) 1.909 2.681 ( -6.525 0.000 -9.815) 11.786 2.824 ( -0.390 0.000 14.160) 14.165 2.836 ( -16.028 0.000 4.029) 16.526 2.895 ( -5.774 0.000 -3.321) 6.661 3.066 ( 8.536 0.000 2.851) 8.999 3.082 ( -1.830 0.000 -6.059) 6.330 3.091 ( -17.264 0.000 1.013) 17.294 3.187 ( -1.272 0.000 -3.479) 3.705 3.241 ( -8.422 0.000 4.172) 9.398 3.333 ( 0.614 0.000 3.979) 4.026 3.496 ( 0.463 0.000 -0.161) 0.490 3.604 ( 0.924 0.000 1.126) 1.457 3.613 ( -3.126 0.000 -0.646) 3.192 3.749 ( -0.787 0.000 2.561) 2.679 3.755 ( 2.472 0.000 0.303) 2.491 3.818 ( -1.400 0.000 -3.714) 3.969 3.983 ( -1.953 0.000 -0.362) 1.986 4.107 ( 2.808 0.000 -2.695) 3.892 4.200 ( 2.043 0.000 -0.663) 2.148 4.246 ( 1.821 0.000 4.175) 4.555 4.273 ( 3.345 0.000 -4.841) 5.884 4.323 ( -0.706 0.000 3.356) 3.429 4.467 ( -7.491 0.000 0.082) 7.492 4.560 ( 0.452 0.000 -1.585) 1.648 4.591 ( -5.140 0.000 0.329) 5.151 4.787 ( 4.012 0.000 -2.366) 4.658 4.856 ( -1.833 0.000 -0.418) 1.880 4.943 ( 2.967 0.000 -1.364) 3.265 5.002 ( 0.144 0.000 -3.878) 3.881 5.083 ( 2.297 0.000 -6.907) 7.279 5.108 ( -1.603 0.000 10.928) 11.045 5.111 ( 8.364 0.000 -7.803) 11.439 5.133 ( 1.261 0.000 8.370) 8.464 5.190 ( -2.865 0.000 -5.205) 5.941 5.336 ( 4.157 0.000 -2.067) 4.642 5.481 ( -5.561 0.000 6.097) 8.252 5.583 ( -4.836 0.000 -1.234) 4.991 5.620 ( -4.153 0.000 0.481) 4.181 5.704 ( -10.663 0.000 5.848) 12.162 5.711 ( -0.976 0.000 -0.158) 0.988 5.852 ( -5.843 0.000 6.931) 9.066 5.893 ( -6.423 0.000 -6.877) 9.410 5.949 ( -1.701 0.000 13.050) 13.160 6.124 ( -2.208 0.000 -3.041) 3.758 6.208 ( -2.990 0.000 -1.069) 3.175 6.239 ( -4.092 0.000 -7.805) 8.812 6.272 ( 1.560 0.000 -3.728) 4.041 6.410 ( -1.045 0.000 3.034) 3.209 6.436 ( 3.850 0.000 -2.057) 4.364 6.454 ( 3.870 0.000 -1.954) 4.336 6.494 ( 1.461 0.000 1.630) 2.189 6.666 ( 1.646 0.000 1.932) 2.538 6.757 ( -0.274 0.000 -0.758) 0.806 6.780 ( 2.175 0.000 -8.409) 8.685 6.865 ( -2.207 0.000 -4.696) 5.188 6.950 ( -1.851 0.000 -2.339) 2.983 7.024 ( -4.090 0.000 -2.640) 4.868 7.113 ( -2.570 0.000 4.290) 5.001 7.191 ( 0.103 0.000 -4.604) 4.605 7.197 ( 0.268 0.000 -2.408) 2.423 7.331 ( 0.525 0.000 6.239) 6.261 7.376 ( 1.731 0.000 7.116) 7.324 7.470 ( 10.491 0.000 -6.636) 12.414 7.611 ( -4.020 0.000 6.433) 7.586 7.689 ( -8.252 0.000 3.338) 8.901 7.860 ( 2.158 0.000 -2.913) 3.625 7.886 ( 1.972 0.000 4.667) 5.066 8.048 ( 3.771 0.000 -6.069) 7.145 8.291 ( -4.779 0.000 3.435) 5.885 8.304 ( -2.496 0.000 -1.292) 2.811 8.390 ( -4.291 0.000 4.109) 5.941 8.463 ( 0.707 0.000 -0.967) 1.197 8.536 ( -1.405 0.000 2.005) 2.448 8.557 ( -5.348 0.000 -0.502) 5.371 8.657 ( -3.917 0.000 -4.209) 5.750 8.728 ( 1.383 0.000 -3.387) 3.658 8.858 ( -4.442 0.000 4.935) 6.639 9.005 ( -4.564 0.000 -6.524) 7.962 9.251 ( -3.841 0.000 1.879) 4.276 9.350 ( -8.158 0.000 1.580) 8.309 9.581 ( -5.232 0.000 2.247) 5.694 9.608 ( -2.384 0.000 -9.825) 10.110 9.671 ( 2.307 0.000 -2.330) 3.279 9.818 ( -3.415 0.000 -11.213) 11.722 9.991 ( -0.278 0.000 -1.850) 1.871 10.058 ( -5.422 0.000 5.107) 7.448 10.313 ( -6.635 0.000 1.780) 6.869 11.146 ( 11.441 0.000 15.124) 18.964 16.489 ( -2.063 0.000 0.220) 2.075 16.561 ( -1.487 0.000 -1.183) 1.900 16.773 ( 1.689 0.000 1.494) 2.255 16.896 ( 2.333 0.000 -1.375) 2.708 17.480 ( 0.006 0.000 0.128) 0.128 17.499 ( 0.091 0.000 -0.066) 0.112 17.823 ( -0.825 0.000 -2.297) 2.441 17.948 ( 0.900 0.000 2.459) 2.618 18.019 ( -0.980 0.000 -1.008) 1.407 18.045 ( 0.392 0.000 4.248) 4.266 18.136 ( 4.345 0.000 -0.589) 4.384 18.147 ( 2.517 0.000 -0.414) 2.551 18.360 ( 6.026 0.000 0.218) 6.030 18.639 ( 11.302 0.000 -2.549) 11.586 18.689 ( 8.314 0.000 2.330) 8.634 18.886 ( 10.119 0.000 -0.346) 10.125 21.366 ( -0.476 0.000 -0.153) 0.500 21.452 ( 0.949 0.000 0.142) 0.960 21.506 ( -0.200 0.000 0.289) 0.352 21.562 ( 0.598 0.000 -0.722) 0.938 21.811 ( -0.542 0.000 -0.545) 0.768 21.823 ( 0.110 0.000 0.032) 0.115 21.832 ( 0.301 0.000 -0.892) 0.941 21.850 ( -0.024 0.000 0.851) 0.852 26.759 ( -0.340 0.000 0.134) 0.365 26.798 ( 0.557 0.000 -0.308) 0.636 26.957 ( -0.350 0.000 0.030) 0.351 26.957 ( -0.117 0.000 -0.227) 0.256 27.232 ( -2.693 0.000 0.080) 2.695 27.259 ( -2.449 0.000 0.090) 2.450 27.313 ( -2.042 0.000 0.038) 2.042 27.342 ( -1.352 0.000 -0.043) 1.352 35.179 ( 4.021 0.000 -5.508) 6.819 35.208 ( 6.840 0.000 4.954) 8.446 35.717 ( -3.399 0.000 -8.201) 8.877 35.770 ( 2.120 0.000 3.287) 3.911 36.212 ( 0.456 0.000 0.755) 0.882 36.343 ( 0.555 0.000 2.489) 2.551 36.679 ( -2.958 0.000 -7.132) 7.721 37.409 ( 7.043 0.000 5.722) 9.074 38.082 ( 4.654 0.000 3.397) 5.761 38.369 ( 0.990 0.000 -6.782) 6.854 38.498 ( 2.079 0.000 3.734) 4.274 38.816 ( 1.188 0.000 3.062) 3.284 39.178 ( -18.209 0.000 -1.671) 18.286 39.480 ( -23.715 0.000 -13.544) 27.310 39.545 ( -7.828 0.000 -0.770) 7.866 40.976 ( 5.344 0.000 22.734) 23.354 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -19.592 0.000 20.634) 28.453 0.556 ( -19.976 0.000 22.807) 30.319 1.245 ( -59.231 0.000 19.473) 62.350 1.750 ( 5.070 0.000 -7.221) 8.823 1.919 ( 3.194 0.000 -14.612) 14.957 2.242 ( -20.020 0.000 -10.989) 22.838 2.376 ( -6.294 0.000 -5.377) 8.278 2.509 ( 7.152 0.000 3.145) 7.813 2.570 ( 1.158 0.000 0.107) 1.163 2.615 ( -12.413 0.000 9.966) 15.919 2.700 ( -21.054 0.000 2.029) 21.152 2.712 ( -7.435 0.000 -14.504) 16.299 3.026 ( 5.546 0.000 -0.826) 5.607 3.113 ( -1.568 0.000 2.136) 2.650 3.193 ( 1.626 0.000 -0.538) 1.713 3.198 ( 11.012 0.000 -5.612) 12.360 3.201 ( -3.184 0.000 2.164) 3.850 3.394 ( 2.616 0.000 1.202) 2.879 3.472 ( -8.344 0.000 -15.401) 17.516 3.530 ( -1.288 0.000 -0.449) 1.364 3.613 ( -1.610 0.000 -2.826) 3.252 3.692 ( -4.842 0.000 -0.098) 4.843 3.757 ( -1.513 0.000 3.431) 3.750 3.841 ( 3.391 0.000 0.535) 3.433 3.926 ( -5.122 0.000 1.668) 5.387 4.106 ( 1.207 0.000 -2.312) 2.608 4.176 ( 1.169 0.000 -6.243) 6.352 4.284 ( 1.608 0.000 -2.403) 2.892 4.323 ( 2.986 0.000 1.012) 3.152 4.364 ( -2.621 0.000 -1.485) 3.012 4.438 ( 3.570 0.000 2.631) 4.435 4.491 ( -1.688 0.000 3.901) 4.251 4.560 ( 1.471 0.000 0.758) 1.655 4.775 ( -7.057 0.000 1.101) 7.142 4.840 ( 4.007 0.000 -2.169) 4.557 4.937 ( 1.432 0.000 -9.096) 9.208 4.964 ( 2.187 0.000 -3.331) 3.985 5.073 ( 2.769 0.000 -2.213) 3.545 5.095 ( -3.748 0.000 4.858) 6.136 5.137 ( -0.988 0.000 -3.746) 3.874 5.142 ( 9.493 0.000 -13.703) 16.670 5.262 ( -0.172 0.000 11.478) 11.480 5.378 ( -7.562 0.000 -2.391) 7.931 5.408 ( 3.103 0.000 -2.945) 4.278 5.509 ( -3.913 0.000 -3.727) 5.404 5.539 ( 0.312 0.000 -0.968) 1.017 5.622 ( -4.903 0.000 6.922) 8.483 5.738 ( 2.047 0.000 1.600) 2.598 5.765 ( -2.902 0.000 0.188) 2.908 5.925 ( -2.947 0.000 16.347) 16.610 6.010 ( -9.541 0.000 2.731) 9.924 6.028 ( -4.017 0.000 1.852) 4.423 6.097 ( -1.025 0.000 3.055) 3.222 6.177 ( -1.107 0.000 4.126) 4.273 6.240 ( 0.846 0.000 -4.756) 4.831 6.443 ( 0.910 0.000 -9.789) 9.831 6.454 ( -1.075 0.000 4.769) 4.888 6.509 ( 3.339 0.000 2.312) 4.061 6.514 ( 2.305 0.000 -0.360) 2.333 6.685 ( 4.003 0.000 2.455) 4.696 6.745 ( -0.218 0.000 1.502) 1.518 6.810 ( 3.510 0.000 1.403) 3.780 6.900 ( 5.099 0.000 2.123) 5.523 6.902 ( -2.557 0.000 -1.535) 2.982 6.930 ( 2.984 0.000 -5.859) 6.575 7.075 ( -6.419 0.000 4.187) 7.664 7.150 ( 1.454 0.000 -3.887) 4.150 7.186 ( 1.593 0.000 -0.176) 1.603 7.395 ( 1.636 0.000 3.467) 3.833 7.481 ( -2.800 0.000 8.164) 8.631 7.511 ( -10.750 0.000 -0.112) 10.751 7.598 ( 0.183 0.000 3.170) 3.176 7.692 ( 9.354 0.000 4.994) 10.604 7.864 ( -0.161 0.000 0.401) 0.432 7.963 ( 1.739 0.000 3.882) 4.253 8.006 ( 1.414 0.000 -11.587) 11.673 8.177 ( -8.771 0.000 -14.617) 17.047 8.231 ( -7.432 0.000 3.693) 8.299 8.373 ( -3.539 0.000 4.278) 5.552 8.451 ( -0.309 0.000 -0.004) 0.309 8.463 ( -3.263 0.000 -0.792) 3.358 8.482 ( -4.498 0.000 1.783) 4.839 8.628 ( 3.792 0.000 -2.548) 4.569 8.721 ( 1.274 0.000 -2.232) 2.570 8.853 ( -1.144 0.000 1.862) 2.185 8.904 ( -1.205 0.000 -1.599) 2.002 9.196 ( -6.396 0.000 0.459) 6.413 9.208 ( -9.540 0.000 1.119) 9.605 9.447 ( 1.768 0.000 -17.295) 17.385 9.467 ( -6.531 0.000 -11.448) 13.179 9.584 ( -9.887 0.000 -6.121) 11.629 9.684 ( 1.054 0.000 -1.026) 1.471 9.966 ( 0.519 0.000 -2.995) 3.040 10.075 ( -3.655 0.000 10.879) 11.477 10.234 ( -5.269 0.000 3.552) 6.354 11.507 ( 11.750 0.000 6.946) 13.650 16.466 ( -1.020 0.000 0.773) 1.280 16.532 ( -0.412 0.000 -1.146) 1.218 16.809 ( 0.550 0.000 1.552) 1.646 16.918 ( 1.656 0.000 -0.842) 1.858 17.482 ( 0.049 0.000 0.312) 0.315 17.500 ( 0.052 0.000 0.118) 0.129 17.799 ( 0.177 0.000 0.548) 0.576 17.978 ( -0.596 0.000 -1.452) 1.569 17.994 ( 0.065 0.000 1.894) 1.895 18.140 ( 3.772 0.000 6.655) 7.650 18.176 ( 2.050 0.000 1.042) 2.300 18.189 ( 2.510 0.000 -0.549) 2.569 18.454 ( 4.425 0.000 0.026) 4.425 18.776 ( 7.547 0.000 -2.760) 8.036 18.847 ( 6.665 0.000 1.995) 6.957 19.015 ( 5.838 0.000 -2.460) 6.335 21.361 ( -0.178 0.000 0.067) 0.190 21.461 ( 0.113 0.000 -1.433) 1.437 21.501 ( -4.107 0.000 -7.216) 8.303 21.505 ( -0.139 0.000 0.017) 0.140 21.824 ( 0.221 0.000 0.220) 0.312 21.828 ( 0.285 0.000 -0.757) 0.809 21.842 ( 2.708 0.000 5.465) 6.099 21.860 ( -0.151 0.000 1.188) 1.198 26.757 ( -0.229 0.000 0.362) 0.429 26.803 ( 0.464 0.000 -0.407) 0.617 26.950 ( -0.191 0.000 -0.127) 0.229 26.955 ( 0.085 0.000 -0.188) 0.206 27.195 ( -1.796 0.000 0.248) 1.813 27.229 ( -1.263 0.000 0.474) 1.349 27.279 ( -1.412 0.000 -0.293) 1.442 27.319 ( -0.954 0.000 -0.293) 0.998 35.207 ( 4.254 0.000 -2.086) 4.738 35.380 ( 6.560 0.000 5.582) 8.613 35.579 ( -3.076 0.000 -1.698) 3.513 35.819 ( 0.769 0.000 0.934) 1.210 36.242 ( 1.271 0.000 1.313) 1.827 36.339 ( -0.674 0.000 -2.465) 2.556 36.666 ( 5.049 0.000 15.276) 16.089 37.548 ( 1.174 0.000 5.737) 5.856 38.245 ( 9.874 0.000 3.924) 10.625 38.319 ( 0.464 0.000 -2.956) 2.992 38.578 ( 2.942 0.000 0.764) 3.040 38.781 ( -10.846 0.000 -3.899) 11.526 38.882 ( -16.237 0.000 1.089) 16.274 39.074 ( -3.094 0.000 -5.902) 6.664 39.324 ( -13.697 0.000 -11.792) 18.073 41.061 ( -14.161 0.000 -34.201) 37.017 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -7.362 16.180 17.140) 24.693 0.837 ( 1.715 17.535 23.658) 29.498 1.372 ( -5.142 33.401 26.025) 42.654 1.779 ( 1.859 -3.662 0.417) 4.128 1.920 ( 15.560 6.045 -16.519) 23.484 2.080 ( -2.833 12.093 -15.056) 19.518 2.213 ( 1.800 -3.317 -5.465) 6.642 2.335 ( 5.217 -9.025 1.531) 10.536 2.480 ( -10.819 3.186 2.983) 11.666 2.588 ( -1.652 2.025 -0.931) 2.775 2.642 ( 4.067 2.560 -0.183) 4.809 2.801 ( 2.024 6.464 0.851) 6.827 2.978 ( -0.410 -3.813 -6.433) 7.489 3.033 ( -5.209 -4.591 -2.906) 7.527 3.094 ( -2.875 -5.138 -1.923) 6.194 3.139 ( 5.376 -3.888 0.426) 6.648 3.153 ( -2.198 -2.217 2.553) 4.032 3.267 ( 1.796 -2.276 -2.364) 3.741 3.343 ( 3.542 -7.673 1.649) 8.611 3.431 ( -7.544 -2.195 -3.819) 8.736 3.584 ( -1.111 0.807 1.877) 2.325 3.702 ( 0.808 1.180 -4.196) 4.433 3.826 ( -2.097 1.782 0.998) 2.927 3.876 ( 1.199 0.712 1.381) 1.962 3.916 ( 0.731 5.477 2.486) 6.059 4.067 ( 2.607 -3.320 -0.119) 4.223 4.175 ( 3.847 0.873 -4.574) 6.040 4.329 ( 1.102 2.124 0.416) 2.429 4.350 ( -3.956 -0.503 0.193) 3.992 4.384 ( 1.299 2.165 -2.147) 3.314 4.427 ( -0.543 4.375 -0.126) 4.410 4.631 ( -6.677 2.516 1.863) 7.375 4.693 ( 8.327 -3.028 3.061) 9.374 4.743 ( 3.209 3.188 -2.980) 5.417 4.799 ( -1.603 -1.516 -4.322) 4.853 4.857 ( -0.772 -1.575 -4.525) 4.853 4.943 ( 1.788 -1.402 -7.104) 7.459 4.966 ( -0.396 -2.285 -2.962) 3.762 5.038 ( 0.182 -4.738 0.603) 4.780 5.117 ( 1.708 -2.248 0.984) 2.990 5.204 ( -0.125 -1.436 -3.430) 3.721 5.244 ( 6.084 3.172 -5.036) 8.511 5.337 ( -0.369 2.307 6.147) 6.576 5.386 ( -3.896 2.803 -2.899) 5.607 5.483 ( -1.544 3.651 -3.238) 5.119 5.559 ( 3.292 3.497 -2.383) 5.362 5.668 ( -6.162 4.485 4.999) 9.114 5.726 ( -1.508 -0.446 0.691) 1.717 5.749 ( 0.841 0.014 0.473) 0.965 5.885 ( -6.566 1.766 -2.068) 7.107 5.957 ( -0.206 -7.406 13.643) 15.524 6.081 ( 2.677 -2.046 3.608) 4.936 6.180 ( 0.843 1.625 -1.354) 2.277 6.185 ( 1.442 -6.144 -1.338) 6.452 6.302 ( 0.104 3.946 7.425) 8.409 6.425 ( 1.670 0.906 0.879) 2.093 6.478 ( -2.905 7.007 -0.349) 7.594 6.588 ( 1.003 -1.161 3.239) 3.584 6.657 ( 4.553 -3.735 0.950) 5.965 6.712 ( -1.224 0.876 0.616) 1.626 6.791 ( 0.356 -1.924 2.874) 3.477 6.873 ( 2.692 -1.272 1.329) 3.261 6.882 ( 3.205 -2.859 -0.669) 4.347 6.972 ( 2.315 4.414 1.480) 5.199 7.036 ( 3.327 4.354 -3.615) 6.565 7.095 ( -5.574 -2.413 1.896) 6.363 7.180 ( 1.262 1.480 -0.669) 2.057 7.226 ( 2.921 -1.110 0.361) 3.146 7.265 ( -5.828 -2.090 4.966) 7.937 7.366 ( -5.618 -3.956 -3.161) 7.564 7.480 ( -1.385 6.060 2.543) 6.716 7.631 ( -4.598 5.443 -7.815) 10.576 7.785 ( 2.917 -4.092 3.596) 6.180 7.927 ( 2.066 1.915 5.316) 6.016 8.007 ( 8.101 1.042 -1.384) 8.284 8.064 ( -0.303 -0.572 2.460) 2.544 8.111 ( 6.280 0.624 -0.356) 6.321 8.158 ( -0.891 0.905 0.988) 1.609 8.263 ( -3.636 -2.928 -1.869) 5.029 8.398 ( -5.921 -0.428 -0.227) 5.941 8.539 ( 2.591 5.078 4.120) 7.033 8.583 ( 3.102 -0.247 -2.012) 3.706 8.691 ( 1.909 1.196 -3.690) 4.324 8.741 ( 2.292 4.659 0.629) 5.230 8.837 ( -2.373 1.635 -1.085) 3.080 8.925 ( 0.533 -0.492 -2.199) 2.315 8.962 ( -2.347 0.749 5.929) 6.420 9.161 ( 4.261 -5.127 -7.973) 10.393 9.186 ( -2.167 -0.066 5.803) 6.195 9.409 ( -3.129 -3.441 -0.122) 4.652 9.579 ( 6.077 9.733 -15.845) 19.564 9.661 ( 0.560 -2.228 -0.729) 2.410 9.928 ( 1.327 -2.862 -1.854) 3.659 10.063 ( -2.320 -8.315 12.625) 15.294 10.216 ( -1.229 1.175 1.811) 2.485 11.100 ( -7.615 -17.078 -2.307) 18.841 16.469 ( -0.214 0.796 0.496) 0.962 16.546 ( 0.024 0.630 -2.255) 2.341 16.830 ( -0.422 0.755 1.306) 1.567 16.918 ( 0.742 -0.731 -0.877) 1.361 17.449 ( -0.026 -2.481 0.116) 2.484 17.548 ( -0.293 1.041 -5.949) 6.046 17.775 ( 2.571 -6.321 0.107) 6.825 17.879 ( -0.935 -5.109 -3.209) 6.105 18.036 ( 0.105 1.380 2.793) 3.118 18.172 ( -3.996 -1.956 2.627) 5.167 18.228 ( -0.443 3.309 -1.123) 3.522 18.254 ( 0.825 3.523 -0.011) 3.618 18.590 ( -0.009 5.847 3.150) 6.641 18.834 ( 0.465 2.047 -2.649) 3.380 18.954 ( -0.008 2.404 1.827) 3.019 19.063 ( 0.198 1.693 -0.888) 1.922 21.371 ( -0.397 0.557 -0.241) 0.725 21.385 ( 1.474 -0.011 -0.201) 1.488 21.475 ( 0.117 0.246 0.258) 0.375 21.500 ( -0.230 -0.082 -0.292) 0.380 21.818 ( 0.065 -0.491 0.033) 0.496 21.824 ( 0.125 -0.206 -0.266) 0.359 21.858 ( -0.305 -0.709 1.903) 2.053 21.904 ( 0.358 -1.838 1.153) 2.199 26.764 ( -0.155 0.639 0.579) 0.876 26.816 ( 0.123 1.172 -0.604) 1.324 26.923 ( -0.158 -2.215 0.545) 2.286 26.953 ( 0.080 -0.806 -0.235) 0.843 27.194 ( -0.145 0.956 0.086) 0.970 27.215 ( -0.216 0.221 -0.026) 0.310 27.284 ( -0.091 1.023 0.367) 1.090 27.315 ( 0.208 0.500 -0.230) 0.588 35.401 ( -6.207 3.990 -2.170) 7.691 35.530 ( 4.050 9.292 -4.207) 10.975 35.682 ( 6.001 -0.131 -2.528) 6.513 35.837 ( -1.795 1.583 -2.039) 3.144 36.307 ( -1.281 4.321 -0.054) 4.507 36.425 ( 0.639 8.070 -1.840) 8.302 37.242 ( 21.344 -25.804 21.734) 39.922 37.465 ( -6.166 -7.539 1.472) 9.850 38.292 ( -6.165 -0.633 0.089) 6.198 38.325 ( -8.551 -1.983 1.092) 8.846 38.437 ( -3.726 2.565 2.229) 5.043 38.582 ( 15.033 -0.371 -0.884) 15.063 38.597 ( -3.359 -0.619 -0.730) 3.493 38.726 ( 1.558 -2.995 -3.031) 4.537 39.634 ( 9.438 16.431 -7.953) 20.550 39.989 ( -24.995 14.859 -19.827) 35.195 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 20.132 11.874 12.804) 26.650 1.160 ( 8.390 20.599 16.344) 27.601 1.731 ( 10.593 9.223 19.101) 23.709 1.921 ( 11.038 9.409 -14.636) 20.605 1.941 ( 6.075 7.247 11.043) 14.538 2.084 ( 17.517 4.544 -17.246) 24.998 2.243 ( 11.795 -1.609 -9.903) 15.485 2.373 ( 0.854 -1.511 -1.227) 2.125 2.456 ( -4.241 -5.420 6.106) 9.200 2.618 ( 5.962 -6.015 1.425) 8.588 2.703 ( 0.197 -0.333 -0.274) 0.474 2.810 ( 0.758 -1.300 -5.037) 5.257 2.885 ( 2.330 2.541 -6.106) 7.012 2.893 ( 5.882 0.954 -6.287) 8.662 3.095 ( -0.108 -4.542 4.970) 6.734 3.155 ( 2.358 -2.190 -1.740) 3.658 3.223 ( -2.737 -4.274 -3.062) 5.927 3.276 ( -0.027 -4.273 -1.997) 4.716 3.382 ( 8.804 -3.450 1.102) 9.520 3.407 ( 1.734 -8.647 2.188) 9.086 3.565 ( -0.363 3.083 -1.386) 3.399 3.694 ( 3.594 0.401 -2.097) 4.181 3.806 ( -2.323 -0.548 3.041) 3.866 3.894 ( -0.092 2.566 0.059) 2.568 4.015 ( 5.480 6.665 3.436) 9.288 4.101 ( 1.679 -0.375 -2.195) 2.789 4.189 ( 2.522 0.292 -5.133) 5.727 4.254 ( -6.562 -0.399 -0.196) 6.577 4.286 ( -5.196 3.563 -2.036) 6.621 4.390 ( 3.906 -0.004 -0.953) 4.020 4.416 ( -3.668 0.593 2.959) 4.750 4.546 ( -4.911 3.612 0.882) 6.159 4.657 ( 0.682 0.040 -10.195) 10.218 4.749 ( -4.250 0.603 1.192) 4.455 4.783 ( 2.491 -0.971 -3.742) 4.599 4.904 ( 2.448 -1.651 2.795) 4.066 4.921 ( 4.893 -4.884 -2.889) 7.493 4.950 ( -1.457 -3.090 0.316) 3.431 5.032 ( 3.486 -1.023 -4.411) 5.715 5.176 ( 3.038 3.329 0.205) 4.512 5.203 ( 6.287 0.857 -4.477) 7.766 5.274 ( 0.099 4.169 -1.016) 4.292 5.330 ( -1.047 4.700 0.064) 4.815 5.385 ( -0.790 -0.394 3.874) 3.974 5.445 ( 1.477 0.296 -1.870) 2.401 5.533 ( -3.829 2.862 -3.396) 5.864 5.628 ( -0.256 2.677 3.164) 4.152 5.667 ( -4.654 3.671 -0.262) 5.933 5.788 ( 1.952 3.869 -0.302) 4.344 5.897 ( 7.264 -2.804 1.901) 8.015 6.010 ( -4.908 -6.128 5.804) 9.764 6.127 ( 2.622 -0.068 -1.265) 2.912 6.171 ( 0.005 1.146 0.813) 1.405 6.269 ( 2.244 -2.027 4.063) 5.065 6.351 ( 0.104 0.064 0.236) 0.265 6.477 ( -0.380 -1.488 1.664) 2.265 6.501 ( -0.046 3.245 5.815) 6.659 6.554 ( -2.272 -0.881 -0.304) 2.456 6.666 ( -4.915 -0.548 3.680) 6.164 6.694 ( -1.323 0.896 1.932) 2.507 6.868 ( 2.373 -1.853 -3.924) 4.946 6.870 ( -0.478 0.677 3.686) 3.778 6.926 ( -1.015 1.951 -5.501) 5.925 6.946 ( 1.798 -2.958 2.213) 4.108 7.016 ( -4.632 -0.194 1.562) 4.892 7.085 ( -0.339 0.482 0.307) 0.664 7.178 ( 3.677 -3.168 -3.717) 6.113 7.235 ( 1.108 3.117 4.853) 5.873 7.272 ( 0.832 1.784 -0.705) 2.091 7.415 ( 9.438 -2.467 2.551) 10.083 7.475 ( -0.890 3.055 0.284) 3.195 7.622 ( 0.727 5.055 6.642) 8.378 7.788 ( -4.189 -1.808 0.823) 4.636 7.923 ( -3.516 3.125 -1.192) 4.853 7.981 ( -7.441 2.336 2.985) 8.350 8.118 ( 5.116 -4.253 0.398) 6.664 8.165 ( 0.268 -2.411 -2.906) 3.785 8.237 ( -2.329 -0.235 -0.551) 2.405 8.254 ( 6.732 -1.093 0.661) 6.852 8.340 ( 7.896 -2.872 -6.503) 10.625 8.546 ( -4.091 -0.046 -0.391) 4.110 8.568 ( -0.710 4.082 -6.303) 7.543 8.716 ( 1.721 0.184 -0.531) 1.811 8.747 ( -2.490 4.200 3.512) 6.014 8.820 ( 2.567 4.710 5.546) 7.716 9.015 ( 9.621 -2.462 -2.416) 10.221 9.090 ( 6.765 0.148 3.867) 7.793 9.206 ( 9.233 -7.391 -6.331) 13.415 9.269 ( 3.510 2.951 6.353) 7.835 9.377 ( 1.297 -2.823 -2.628) 4.069 9.566 ( 11.031 7.192 -14.551) 19.625 9.669 ( -0.191 -2.755 1.305) 3.054 9.936 ( 2.431 -2.586 -2.107) 4.127 10.089 ( 3.477 1.027 -6.845) 7.746 10.349 ( 0.619 -10.814 20.464) 23.154 10.966 ( -3.489 -11.640 -5.610) 13.384 16.480 ( 0.881 0.983 0.505) 1.413 16.539 ( 1.476 0.209 -1.259) 1.952 16.828 ( -1.460 1.283 1.003) 2.187 16.915 ( -0.003 -0.659 -1.011) 1.207 17.451 ( -0.056 -2.132 0.369) 2.164 17.498 ( -0.736 -1.324 -1.738) 2.305 17.801 ( 0.761 -7.129 0.317) 7.176 17.827 ( -0.841 -5.038 -3.213) 6.034 18.064 ( -0.589 1.439 2.896) 3.287 18.121 ( -4.280 1.206 2.286) 5.000 18.194 ( -1.712 3.095 -1.517) 3.849 18.248 ( -1.806 2.949 0.265) 3.468 18.554 ( -7.579 5.389 4.346) 10.266 18.743 ( -6.339 3.430 -4.156) 8.320 18.911 ( -7.507 2.001 2.428) 8.140 18.996 ( -6.272 1.217 -1.939) 6.676 21.372 ( 0.322 0.284 0.312) 0.531 21.408 ( 1.578 -0.261 -1.757) 2.376 21.486 ( 0.694 -0.368 0.375) 0.871 21.492 ( -0.171 -0.074 -0.457) 0.493 21.816 ( -0.166 -0.217 -0.131) 0.303 21.825 ( 0.342 -0.259 -0.243) 0.493 21.868 ( -0.617 -0.489 1.431) 1.633 21.904 ( -1.148 -1.088 0.619) 1.698 26.769 ( -0.048 0.692 0.657) 0.955 26.810 ( 0.009 1.039 -0.660) 1.231 26.923 ( -0.372 -1.906 0.444) 1.992 26.950 ( -0.120 -1.029 -0.202) 1.055 27.208 ( 1.540 0.803 0.307) 1.764 27.226 ( 1.630 0.438 -0.199) 1.700 27.293 ( 0.773 1.023 0.391) 1.340 27.321 ( 0.859 0.639 -0.468) 1.168 35.269 ( -8.174 3.231 -0.580) 8.809 35.506 ( -1.789 9.627 -0.199) 9.794 35.702 ( -2.465 -2.136 -2.614) 4.180 35.821 ( 3.248 1.585 0.358) 3.632 36.273 ( -3.147 4.195 1.633) 5.493 36.402 ( -1.205 7.321 -1.490) 7.568 37.256 ( -14.241 -11.372 4.001) 18.658 37.410 ( -14.254 -9.736 10.060) 19.979 38.156 ( -8.383 0.181 0.005) 8.385 38.381 ( 3.776 -3.960 1.364) 5.639 38.496 ( 4.241 -5.223 -3.284) 7.487 38.580 ( 1.584 -3.313 2.171) 4.266 38.877 ( 18.474 -1.736 0.255) 18.557 39.006 ( 37.044 -3.926 -10.056) 38.585 39.592 ( -4.190 12.038 -5.338) 13.819 39.849 ( 18.275 16.278 -6.168) 25.239 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 4.369 20.832 11.616) 24.249 1.438 ( 10.700 7.098 6.952) 14.601 1.864 ( 6.680 10.509 -9.663) 15.762 1.947 ( -1.817 0.086 -22.048) 22.123 2.023 ( 7.997 -0.952 7.594) 11.070 2.265 ( 9.659 5.516 2.839) 11.480 2.348 ( -1.863 -4.707 4.203) 6.580 2.413 ( -0.984 -2.863 0.381) 3.051 2.555 ( 10.893 -2.049 -3.273) 11.558 2.622 ( 8.470 -1.690 -3.525) 9.328 2.714 ( -5.489 -6.153 5.447) 9.882 2.826 ( -2.423 0.503 4.226) 4.898 2.983 ( 12.498 1.824 -0.889) 12.661 3.064 ( 13.628 -3.049 -3.129) 14.311 3.149 ( 6.236 2.959 -0.712) 6.939 3.196 ( 6.825 -0.545 -0.611) 6.874 3.275 ( 10.194 -3.270 2.909) 11.094 3.311 ( 4.602 -3.022 -1.718) 5.767 3.432 ( 2.789 -8.854 1.822) 9.460 3.534 ( 5.482 -3.097 2.004) 6.607 3.580 ( 2.581 -1.068 -2.430) 3.702 3.746 ( 3.166 0.847 -0.498) 3.315 3.810 ( -1.750 -0.466 4.168) 4.545 3.873 ( -2.341 6.481 -0.470) 6.907 4.024 ( -4.608 3.356 -1.363) 5.861 4.070 ( -5.058 4.313 -4.626) 8.099 4.139 ( 1.707 -0.156 0.889) 1.931 4.239 ( 4.898 -1.516 -2.386) 5.656 4.255 ( 3.001 1.659 1.777) 3.862 4.377 ( -2.486 -0.558 0.153) 2.553 4.418 ( 0.243 -0.878 -2.163) 2.347 4.524 ( 3.355 5.406 0.527) 6.384 4.620 ( 2.480 -0.926 -3.559) 4.436 4.701 ( -1.946 1.192 1.012) 2.496 4.777 ( 3.294 -0.273 -5.555) 6.464 4.894 ( -3.330 -6.194 2.675) 7.524 4.911 ( 0.254 2.792 -1.496) 3.177 5.019 ( 2.389 -0.991 -1.752) 3.123 5.036 ( 1.477 0.941 -5.755) 6.016 5.184 ( -0.687 2.125 1.166) 2.519 5.226 ( -2.715 5.050 -1.057) 5.830 5.317 ( 2.148 4.495 0.611) 5.020 5.323 ( 6.330 -0.418 -0.526) 6.365 5.377 ( -1.103 -0.462 0.465) 1.283 5.483 ( -1.578 1.943 2.388) 3.460 5.500 ( 3.851 2.044 0.412) 4.379 5.603 ( -0.581 5.071 -0.809) 5.168 5.749 ( 8.834 -0.453 3.538) 9.527 5.848 ( 0.690 -0.273 4.334) 4.397 5.941 ( -5.564 -2.608 0.834) 6.201 5.975 ( 1.549 2.135 -0.938) 2.799 6.115 ( 1.251 -0.801 -2.486) 2.896 6.232 ( -5.286 -1.433 -4.184) 6.893 6.299 ( 5.989 0.323 1.441) 6.168 6.347 ( 2.463 -2.590 1.209) 3.772 6.479 ( -0.532 -2.717 0.007) 2.768 6.490 ( -2.127 0.264 -1.193) 2.453 6.531 ( -5.115 -1.698 4.480) 7.009 6.657 ( -2.470 1.165 2.142) 3.471 6.706 ( -0.627 2.184 -0.832) 2.420 6.806 ( 0.791 1.601 -1.217) 2.161 6.855 ( -0.669 -0.091 0.369) 0.770 6.868 ( -0.363 1.332 -6.997) 7.132 6.965 ( -2.477 0.418 0.166) 2.517 6.989 ( 3.431 1.828 -1.784) 4.277 7.172 ( 4.614 0.417 7.581) 8.884 7.229 ( 1.896 -0.355 -0.671) 2.042 7.289 ( 1.360 1.708 1.195) 2.489 7.322 ( -0.024 -0.692 2.560) 2.652 7.442 ( -4.382 -2.404 2.372) 5.532 7.553 ( 2.263 -2.644 4.092) 5.372 7.683 ( -1.160 0.327 -1.838) 2.198 7.740 ( 0.585 -0.408 2.629) 2.724 7.865 ( -0.884 0.925 1.764) 2.180 7.941 ( -0.336 7.173 1.710) 7.382 8.114 ( 3.734 -1.230 -8.810) 9.648 8.178 ( -0.716 0.910 -1.926) 2.247 8.223 ( 1.560 -2.395 4.278) 5.145 8.373 ( 5.666 -2.030 -0.798) 6.071 8.410 ( 5.944 1.155 -5.248) 8.012 8.468 ( -1.928 2.794 -1.849) 3.865 8.509 ( 0.041 -0.459 0.461) 0.652 8.729 ( 0.429 -0.298 0.325) 0.616 8.760 ( -0.842 3.674 3.425) 5.093 8.972 ( 6.022 3.161 6.292) 9.265 9.115 ( 6.347 -4.903 -4.206) 9.056 9.213 ( 4.873 -1.621 0.122) 5.137 9.337 ( 12.210 -1.240 -5.051) 13.272 9.364 ( 0.052 -4.366 6.034) 7.448 9.431 ( 6.750 2.879 -0.396) 7.350 9.612 ( 11.459 4.964 -12.704) 17.814 9.681 ( -1.090 -2.468 2.937) 3.988 9.970 ( 3.501 -2.920 -0.776) 4.625 10.092 ( 7.164 0.261 -8.731) 11.297 10.578 ( -1.183 -11.657 19.489) 22.740 10.844 ( -4.487 -8.362 -4.922) 10.690 16.511 ( 2.096 1.379 0.590) 2.578 16.562 ( 2.397 0.377 -1.012) 2.629 16.805 ( -2.584 1.498 1.227) 3.229 16.894 ( -1.045 -0.509 -1.318) 1.758 17.451 ( -0.521 -2.065 0.318) 2.153 17.480 ( -0.091 -1.955 -0.495) 2.019 17.784 ( -0.287 -5.663 -2.645) 6.257 17.819 ( 0.258 -7.542 1.191) 7.640 18.064 ( -3.414 0.895 2.361) 4.246 18.089 ( -1.487 1.402 1.429) 2.494 18.142 ( -2.758 2.373 -1.078) 3.795 18.203 ( -4.268 1.589 1.190) 4.707 18.456 ( -8.541 4.954 3.526) 10.485 18.565 ( -7.500 4.328 -5.487) 10.251 18.775 ( -11.017 2.074 2.713) 11.534 18.835 ( -9.307 1.452 -2.145) 9.661 21.385 ( 0.678 0.103 0.557) 0.884 21.406 ( 0.548 0.148 -1.418) 1.527 21.485 ( 0.029 -0.185 -0.451) 0.489 21.499 ( 0.386 -0.733 0.068) 0.831 21.814 ( 0.081 -0.005 -0.091) 0.122 21.828 ( 0.283 -0.143 -0.197) 0.373 21.868 ( -0.815 -0.257 0.736) 1.128 21.888 ( -1.180 -0.433 0.274) 1.286 26.776 ( 0.035 0.770 0.582) 0.966 26.803 ( 0.010 0.963 -0.586) 1.127 26.923 ( -0.029 -1.662 0.200) 1.674 26.944 ( -0.190 -1.303 -0.343) 1.361 27.247 ( 2.377 0.635 0.409) 2.494 27.259 ( 2.425 0.444 -0.379) 2.494 27.316 ( 1.266 0.782 0.337) 1.526 27.334 ( 1.299 0.708 -0.519) 1.568 35.122 ( -8.023 4.485 -0.463) 9.203 35.470 ( -5.640 2.048 3.021) 6.718 35.609 ( -1.581 2.229 -5.025) 5.720 35.887 ( 3.321 0.502 -0.070) 3.360 36.254 ( -1.431 3.934 2.202) 4.730 36.370 ( -0.156 7.398 -1.114) 7.483 37.067 ( -8.572 -7.244 -3.249) 11.683 37.273 ( -12.980 -4.229 8.794) 16.239 38.066 ( -4.117 1.430 2.215) 4.889 38.334 ( -3.545 -1.242 -3.636) 5.228 38.594 ( 4.199 -9.168 -1.139) 10.148 38.624 ( 1.169 -5.405 6.747) 8.724 39.207 ( 19.192 -2.191 -2.984) 19.546 39.429 ( 23.976 -3.433 -13.715) 27.834 39.595 ( 13.407 12.760 -4.001) 18.936 40.175 ( 15.923 3.823 9.884) 19.127 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -1.504 8.478 0.484) 8.624 1.632 ( 3.333 15.189 4.459) 16.178 1.702 ( -1.289 -1.024 -10.986) 11.109 1.970 ( 14.784 3.744 -6.966) 16.766 2.156 ( -0.066 -3.512 3.868) 5.225 2.344 ( -0.430 -0.825 0.435) 1.027 2.404 ( -0.955 -0.852 1.811) 2.217 2.443 ( 6.269 5.032 -0.563) 8.059 2.596 ( -2.514 -1.770 3.165) 4.412 2.626 ( 2.958 -3.549 0.594) 4.658 2.742 ( -6.207 0.490 5.223) 8.127 2.831 ( 3.903 1.089 2.200) 4.611 3.053 ( 0.070 0.772 -3.966) 4.041 3.210 ( 4.583 -9.263 3.433) 10.890 3.300 ( 0.847 -0.705 0.100) 1.106 3.319 ( -1.165 -3.117 1.969) 3.867 3.386 ( 2.980 -5.219 -0.924) 6.081 3.423 ( 10.507 -4.509 -3.480) 11.951 3.536 ( 3.417 -6.190 1.379) 7.203 3.607 ( 7.851 0.864 1.590) 8.057 3.673 ( 8.089 2.843 0.003) 8.574 3.773 ( 3.078 0.938 -2.658) 4.174 3.815 ( -3.475 5.145 0.010) 6.209 3.841 ( -0.310 -0.365 3.592) 3.624 3.940 ( -0.503 10.337 -4.412) 11.250 4.036 ( 3.706 4.593 4.834) 7.629 4.194 ( 1.849 0.308 -1.060) 2.153 4.303 ( 5.033 -4.342 1.287) 6.770 4.338 ( 3.606 -0.790 -4.496) 5.817 4.366 ( 2.698 -0.158 2.788) 3.883 4.431 ( 2.427 -3.811 1.273) 4.695 4.600 ( 4.224 2.055 -0.003) 4.697 4.646 ( 2.763 -1.581 -0.368) 3.204 4.714 ( -0.278 2.240 2.327) 3.241 4.788 ( 3.426 0.330 -2.467) 4.234 4.860 ( -2.630 -4.174 0.408) 4.951 4.898 ( -0.383 3.287 -2.122) 3.931 4.965 ( 2.036 4.407 -7.154) 8.646 4.993 ( -1.186 0.266 -2.895) 3.140 5.180 ( 0.892 9.999 -2.727) 10.403 5.230 ( -0.319 1.651 4.134) 4.463 5.280 ( -4.035 2.024 0.411) 4.532 5.380 ( -0.297 -1.361 2.698) 3.036 5.444 ( 0.217 3.768 -1.224) 3.968 5.506 ( 4.878 -1.056 3.754) 6.245 5.558 ( 2.640 0.929 0.694) 2.884 5.661 ( 5.992 1.732 2.434) 6.696 5.816 ( -4.426 -5.688 -0.186) 7.209 5.896 ( 0.813 0.723 1.488) 1.843 5.981 ( -0.837 3.514 -1.864) 4.065 5.984 ( 8.510 -0.025 5.250) 9.999 6.099 ( -1.484 -0.208 -0.674) 1.643 6.147 ( 0.174 -0.782 -0.219) 0.830 6.307 ( -5.181 0.853 -2.022) 5.626 6.337 ( -0.410 -3.037 -2.210) 3.779 6.420 ( -1.418 1.350 -0.283) 1.979 6.457 ( -1.683 0.144 -0.487) 1.758 6.589 ( 0.372 -3.059 -2.506) 3.972 6.624 ( 4.453 -5.723 0.317) 7.258 6.684 ( -0.275 9.740 -2.299) 10.011 6.752 ( -2.987 0.922 -3.855) 4.963 6.841 ( 2.206 -1.686 -0.634) 2.848 6.904 ( 0.687 2.181 2.593) 3.457 6.956 ( 2.042 2.869 0.708) 3.592 7.050 ( 3.629 2.394 1.208) 4.512 7.179 ( -2.713 0.726 -2.734) 3.920 7.243 ( -8.019 1.285 4.352) 9.214 7.289 ( -1.499 -0.042 -1.255) 1.956 7.315 ( 0.149 -3.048 -0.099) 3.053 7.433 ( 1.857 -2.439 -0.996) 3.223 7.568 ( -0.890 0.676 -1.331) 1.738 7.671 ( 1.554 -4.447 1.013) 4.818 7.788 ( 2.190 -2.127 1.944) 3.619 7.923 ( 1.595 4.617 1.930) 5.252 7.975 ( 2.081 6.333 0.291) 6.673 8.103 ( 4.991 -1.273 -5.047) 7.211 8.164 ( 0.390 1.579 -1.641) 2.310 8.274 ( -0.112 -0.652 4.189) 4.241 8.399 ( 0.559 2.274 -1.400) 2.728 8.426 ( 0.226 3.800 1.011) 3.939 8.480 ( 2.084 0.174 1.159) 2.391 8.584 ( 6.846 -3.541 -1.651) 7.882 8.742 ( 0.516 0.130 0.775) 0.940 8.785 ( -0.835 2.981 3.735) 4.851 9.114 ( 2.373 -0.939 1.977) 3.228 9.162 ( 6.819 -4.571 -2.825) 8.682 9.262 ( 3.517 -1.958 -3.731) 5.489 9.405 ( 0.943 -6.009 2.972) 6.770 9.520 ( 2.919 0.182 1.204) 3.162 9.527 ( 12.330 0.915 -1.877) 12.506 9.677 ( 9.699 3.454 -8.665) 13.457 9.697 ( -0.951 -1.287 3.866) 4.184 10.032 ( 3.966 -2.355 -0.256) 4.619 10.140 ( 8.717 -1.149 -7.732) 11.708 10.641 ( -7.272 -8.330 3.579) 11.622 10.741 ( -8.372 -6.562 7.394) 12.955 16.559 ( 2.678 1.703 0.572) 3.225 16.594 ( 2.836 1.086 -1.118) 3.236 16.771 ( -3.143 1.309 1.507) 3.723 16.853 ( -1.798 -0.298 -1.540) 2.386 17.442 ( -0.679 -2.358 0.230) 2.464 17.480 ( 0.293 -1.204 -0.095) 1.243 17.764 ( 0.736 -6.127 -1.575) 6.369 17.833 ( -0.455 -8.206 1.484) 8.352 18.021 ( -3.575 0.002 1.135) 3.751 18.063 ( -2.618 -0.473 -0.945) 2.823 18.094 ( -2.367 2.012 0.919) 3.240 18.143 ( -4.337 0.482 1.783) 4.714 18.357 ( -6.366 5.099 2.028) 8.404 18.410 ( -3.231 5.031 -5.273) 7.972 18.628 ( -9.269 2.511 2.844) 10.015 18.670 ( -7.246 2.112 -1.239) 7.649 21.398 ( 0.528 0.210 -0.635) 0.852 21.407 ( 0.323 0.298 0.605) 0.748 21.484 ( 0.207 -0.581 -0.101) 0.625 21.502 ( 0.010 -0.884 0.066) 0.887 21.817 ( 0.360 0.169 -0.042) 0.400 21.831 ( 0.252 0.046 -0.210) 0.331 21.858 ( -0.726 -0.074 0.029) 0.730 21.871 ( -0.971 -0.197 0.004) 0.991 26.781 ( -0.038 0.797 0.266) 0.841 26.799 ( 0.141 1.018 -0.385) 1.098 26.925 ( 0.147 -1.615 0.100) 1.625 26.939 ( -0.006 -1.526 -0.181) 1.537 27.288 ( 1.901 0.354 0.183) 1.943 27.295 ( 2.163 0.403 -0.214) 2.210 27.337 ( 0.899 0.385 0.180) 0.995 27.356 ( 1.420 0.900 0.017) 1.681 35.006 ( -5.483 4.909 0.555) 7.380 35.377 ( -5.311 -1.539 -1.205) 5.659 35.568 ( 0.046 4.654 -1.059) 4.773 35.924 ( 2.308 0.266 -1.755) 2.912 36.257 ( -0.781 1.904 1.167) 2.366 36.389 ( 2.184 8.321 0.755) 8.636 36.907 ( -4.563 -5.996 -4.905) 8.991 37.161 ( -9.824 -3.264 5.652) 11.795 38.048 ( -2.012 2.546 3.041) 4.448 38.249 ( -1.251 -0.771 -3.811) 4.084 38.585 ( -0.709 -7.909 -1.299) 8.047 38.732 ( 0.588 -8.255 4.679) 9.507 39.390 ( 11.507 2.405 -6.280) 13.328 39.668 ( 14.705 3.684 -0.018) 15.160 39.843 ( 17.951 4.558 -5.406) 19.294 40.501 ( 6.151 -3.320 12.027) 13.911 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.014 4.194 1.761) 4.549 1.650 ( 4.138 1.557 -0.330) 4.433 1.745 ( 1.486 13.315 7.398) 15.305 2.105 ( 4.906 -4.955 -10.092) 12.267 2.156 ( -0.018 3.988 0.517) 4.022 2.338 ( -0.142 -2.178 -0.400) 2.219 2.384 ( 1.630 4.943 -2.214) 5.656 2.445 ( 2.285 0.963 -1.806) 3.067 2.531 ( -8.630 -1.244 0.741) 8.750 2.692 ( -0.727 2.990 -0.714) 3.159 2.792 ( 1.466 -1.724 3.780) 4.405 2.911 ( 3.131 -1.844 3.339) 4.934 3.035 ( 1.156 1.678 1.129) 2.330 3.187 ( -8.707 -6.042 4.627) 11.564 3.263 ( -2.837 -0.472 -1.042) 3.059 3.322 ( 1.035 -3.950 -0.357) 4.099 3.386 ( -0.075 -5.944 5.091) 7.826 3.497 ( 5.125 -7.598 -4.804) 10.348 3.584 ( 0.248 -1.062 1.689) 2.010 3.701 ( -0.927 1.022 -2.160) 2.564 3.736 ( -2.214 3.144 -3.983) 5.536 3.772 ( 5.546 -0.009 2.739) 6.185 3.808 ( 0.788 3.843 2.263) 4.529 3.937 ( 3.819 2.521 4.396) 6.345 3.973 ( 3.298 7.274 -0.194) 7.989 4.131 ( 0.653 3.205 1.279) 3.512 4.219 ( 0.881 0.064 2.011) 2.197 4.277 ( 0.844 -0.667 -6.088) 6.182 4.413 ( 0.878 -2.774 0.489) 2.950 4.438 ( 3.560 -1.531 -0.243) 3.882 4.510 ( 2.773 -5.513 -0.055) 6.171 4.626 ( -3.658 -4.356 0.748) 5.738 4.687 ( 3.078 -2.589 -1.555) 4.312 4.693 ( 2.088 0.463 -0.264) 2.155 4.811 ( -3.506 3.658 1.858) 5.397 4.834 ( 0.324 0.217 -1.279) 1.337 4.901 ( 2.851 1.615 1.771) 3.725 4.918 ( -0.415 0.820 -2.815) 2.961 4.994 ( 3.404 3.981 -3.496) 6.298 5.187 ( 2.572 5.308 -1.111) 6.002 5.234 ( -2.002 2.861 0.646) 3.552 5.284 ( 5.209 8.298 0.277) 9.802 5.399 ( 0.076 -1.038 2.337) 2.558 5.407 ( -8.354 2.957 4.142) 9.782 5.576 ( -0.243 -1.276 2.131) 2.495 5.628 ( 4.533 -1.129 2.101) 5.122 5.751 ( -1.463 -6.025 0.774) 6.248 5.825 ( 6.454 1.545 -2.759) 7.187 5.865 ( -1.258 1.238 0.123) 1.769 5.970 ( -0.170 0.882 1.661) 1.889 6.038 ( -3.485 2.218 0.997) 4.250 6.151 ( -0.126 1.642 3.207) 3.605 6.200 ( 0.506 -4.209 4.686) 6.319 6.229 ( 2.553 1.427 1.963) 3.523 6.325 ( -0.548 1.594 -0.343) 1.720 6.406 ( -1.385 1.074 -0.315) 1.780 6.411 ( -0.350 -0.475 -3.700) 3.746 6.546 ( 0.989 2.592 -7.017) 7.545 6.660 ( 1.839 1.873 -0.939) 2.788 6.671 ( 2.083 -4.654 -0.559) 5.129 6.709 ( -0.819 2.843 -1.457) 3.298 6.858 ( -1.137 -2.922 0.920) 3.267 6.955 ( 3.667 0.730 1.839) 4.166 6.991 ( 1.353 5.815 -3.036) 6.698 7.081 ( -0.594 0.495 -2.222) 2.353 7.113 ( -3.019 0.159 -2.542) 3.950 7.160 ( -2.960 0.287 3.879) 4.888 7.219 ( -2.713 -2.320 -1.618) 3.920 7.315 ( 1.094 -2.045 -2.400) 3.337 7.452 ( 1.573 2.018 1.134) 2.799 7.562 ( -0.735 2.188 1.132) 2.571 7.679 ( 1.145 -5.773 -4.603) 7.472 7.826 ( -0.558 3.906 1.334) 4.165 7.907 ( -0.851 2.839 -4.356) 5.269 7.997 ( 1.352 4.313 -2.306) 5.074 8.134 ( -0.238 3.972 -4.385) 5.921 8.189 ( 4.129 -2.213 4.228) 6.310 8.321 ( -0.608 -2.098 5.378) 5.804 8.408 ( -0.200 4.189 2.220) 4.745 8.452 ( -0.264 3.615 3.694) 5.175 8.514 ( 1.351 -2.555 -0.289) 2.905 8.640 ( 2.574 -2.431 -3.560) 5.020 8.767 ( 0.549 1.343 1.881) 2.375 8.808 ( -1.268 1.623 3.539) 4.095 9.102 ( -0.801 -0.455 -3.119) 3.252 9.238 ( 4.655 -4.736 -7.270) 9.847 9.296 ( 2.365 -2.462 3.800) 5.109 9.427 ( -1.279 -7.521 0.390) 7.639 9.559 ( 0.632 -1.657 1.302) 2.200 9.675 ( 5.181 -0.638 -3.883) 6.506 9.716 ( 0.398 -1.436 5.960) 6.143 9.793 ( 9.520 1.002 -1.847) 9.749 10.080 ( 2.689 -0.941 -1.696) 3.315 10.201 ( 7.872 -1.086 -8.273) 11.471 10.533 ( -5.408 -4.363 0.953) 7.013 10.639 ( -12.792 -5.205 6.525) 15.275 16.601 ( 1.216 2.010 0.350) 2.375 16.631 ( 2.823 1.625 -1.177) 3.464 16.733 ( -3.200 1.161 1.519) 3.728 16.814 ( -0.409 -0.355 -1.409) 1.510 17.438 ( -0.266 -2.268 0.605) 2.362 17.482 ( 0.141 -0.962 -0.264) 1.007 17.776 ( 1.621 -6.268 0.024) 6.474 17.831 ( -1.257 -8.490 0.729) 8.614 17.978 ( -2.050 -0.755 0.246) 2.199 18.010 ( -1.553 -1.010 -1.293) 2.259 18.065 ( -1.737 0.116 0.544) 1.824 18.102 ( -2.255 0.284 0.837) 2.422 18.296 ( -2.728 5.625 1.158) 6.358 18.354 ( 2.050 5.347 -3.596) 6.762 18.539 ( -5.165 3.092 3.293) 6.862 18.585 ( -1.697 2.395 -0.026) 2.935 21.402 ( 0.643 0.464 -0.255) 0.833 21.413 ( -0.414 0.425 0.270) 0.651 21.490 ( 0.178 -1.004 0.535) 1.152 21.504 ( 0.056 -1.130 0.315) 1.175 21.823 ( 0.341 0.295 -0.080) 0.458 21.833 ( 0.287 0.230 -0.232) 0.435 21.847 ( -0.344 -0.057 -0.254) 0.431 21.856 ( -0.656 -0.069 -0.249) 0.705 26.781 ( -0.109 0.767 0.030) 0.775 26.798 ( 0.163 1.046 -0.381) 1.126 26.930 ( 0.180 -1.758 0.336) 1.799 26.940 ( 0.096 -1.627 0.123) 1.635 27.313 ( 0.738 0.262 0.282) 0.832 27.322 ( 1.167 0.301 -0.090) 1.209 27.349 ( 0.079 0.229 0.501) 0.557 27.373 ( 0.539 0.830 0.031) 0.990 34.957 ( -1.874 4.607 1.993) 5.358 35.290 ( -1.666 -0.610 -3.712) 4.114 35.577 ( 0.547 3.795 1.830) 4.249 35.930 ( 1.572 0.145 -3.260) 3.622 36.255 ( -0.255 1.254 0.518) 1.380 36.414 ( -0.491 7.845 -0.770) 7.898 36.846 ( 1.325 -6.229 -0.309) 6.376 37.060 ( -6.335 -2.309 1.018) 6.819 38.045 ( -2.133 3.053 2.469) 4.468 38.218 ( 1.798 -0.453 -2.760) 3.325 38.568 ( 0.128 -8.129 -0.492) 8.145 38.723 ( -2.746 -7.292 -1.839) 8.006 39.531 ( 7.660 4.881 1.971) 9.294 39.841 ( 4.146 4.699 -0.089) 6.267 40.076 ( 12.578 0.539 2.164) 12.774 40.591 ( -5.888 -4.831 4.171) 8.684 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -3.110 8.892 3.346) 9.997 1.700 ( -4.712 5.809 3.893) 8.432 1.886 ( 1.656 8.089 6.006) 10.211 1.962 ( -4.449 4.234 -5.161) 8.022 2.124 ( 6.612 -3.893 -6.721) 10.200 2.362 ( -0.493 -3.729 2.710) 4.636 2.402 ( -1.153 2.954 -6.042) 6.823 2.466 ( 4.049 -0.851 -0.991) 4.255 2.534 ( -0.756 2.090 -1.888) 2.916 2.544 ( 1.709 2.144 0.273) 2.755 2.816 ( -2.551 -1.863 3.710) 4.873 2.943 ( -5.648 0.988 2.966) 6.456 3.079 ( -0.761 -0.960 3.611) 3.813 3.154 ( 1.392 -8.647 3.159) 9.311 3.219 ( -0.061 -0.623 -0.638) 0.893 3.392 ( 1.688 -3.471 1.517) 4.147 3.417 ( -0.706 -3.065 3.388) 4.623 3.557 ( 4.886 -3.952 -3.831) 7.360 3.616 ( -0.368 2.150 0.148) 2.186 3.638 ( 0.849 -4.131 -0.329) 4.230 3.671 ( -3.239 2.014 0.063) 3.814 3.801 ( -4.720 4.998 1.368) 7.010 3.850 ( -1.338 4.410 1.978) 5.015 3.949 ( -4.739 4.836 -0.464) 6.787 4.019 ( -0.984 -0.186 6.868) 6.940 4.107 ( -4.237 -0.677 0.179) 4.294 4.156 ( -2.826 2.135 -6.909) 7.764 4.256 ( 0.090 -0.080 -2.893) 2.895 4.389 ( 0.240 -0.934 -6.665) 6.734 4.419 ( -5.583 -4.026 1.490) 7.043 4.508 ( 2.003 0.503 3.124) 3.745 4.639 ( 1.543 -6.469 -2.793) 7.213 4.726 ( -2.361 2.970 -0.272) 3.804 4.739 ( -0.020 0.197 4.976) 4.980 4.756 ( 2.428 -1.599 -0.481) 2.947 4.832 ( -0.746 1.089 1.630) 2.097 4.908 ( 1.339 -2.044 0.171) 2.450 4.962 ( 0.587 2.367 -4.099) 4.769 5.007 ( 2.594 2.073 3.321) 4.696 5.214 ( 0.655 5.235 -2.570) 5.868 5.225 ( -2.881 1.808 1.169) 3.597 5.257 ( -5.290 2.148 -0.157) 5.711 5.361 ( 3.112 1.227 -4.163) 5.341 5.447 ( 0.444 -0.735 5.031) 5.104 5.595 ( -1.386 3.162 6.458) 7.323 5.723 ( -4.150 -1.266 1.884) 4.730 5.729 ( 1.745 1.061 3.494) 4.047 5.837 ( -3.069 -5.051 2.618) 6.465 5.867 ( 5.824 1.478 -3.549) 6.979 5.954 ( -5.159 2.451 3.332) 6.612 6.057 ( -2.434 -2.327 3.529) 4.878 6.145 ( 1.548 1.509 -2.182) 3.072 6.219 ( -1.675 -2.375 1.497) 3.269 6.301 ( 0.934 1.209 0.225) 1.545 6.327 ( 1.155 2.187 2.273) 3.359 6.357 ( -0.653 1.344 -1.974) 2.476 6.434 ( 2.127 2.221 2.212) 3.788 6.505 ( 0.658 4.724 -2.406) 5.342 6.633 ( -2.263 -1.663 -6.105) 6.720 6.655 ( -0.064 -4.138 -4.473) 6.093 6.729 ( 3.768 1.362 -0.145) 4.009 6.886 ( 0.234 2.496 0.250) 2.519 6.918 ( 0.845 -0.865 -5.060) 5.202 7.009 ( 1.714 -1.643 -2.772) 3.650 7.078 ( -0.175 0.548 -1.049) 1.197 7.085 ( 3.496 -0.023 0.647) 3.555 7.144 ( -2.891 -2.302 1.143) 3.869 7.176 ( -2.353 0.387 2.061) 3.152 7.302 ( 0.142 0.957 -1.013) 1.401 7.508 ( 0.484 5.974 -0.364) 6.004 7.530 ( -2.477 -3.834 0.079) 4.566 7.637 ( -0.962 2.511 -1.353) 3.011 7.811 ( -1.265 6.899 -0.141) 7.015 7.844 ( -1.509 -1.411 -2.049) 2.910 7.961 ( -1.236 5.483 -4.789) 7.384 8.073 ( 0.721 4.149 -5.758) 7.133 8.279 ( 0.646 -1.606 4.324) 4.658 8.363 ( -1.575 -3.253 5.303) 6.417 8.427 ( -0.961 3.936 2.546) 4.785 8.465 ( -1.488 1.401 -0.111) 2.047 8.537 ( 0.100 -2.832 1.666) 3.287 8.623 ( -0.679 -2.326 0.331) 2.446 8.783 ( -0.787 2.616 1.168) 2.971 8.810 ( -2.243 0.573 1.988) 3.052 9.033 ( -3.649 2.528 -2.951) 5.330 9.207 ( 0.692 -6.055 -6.297) 8.763 9.363 ( -0.906 -4.716 0.347) 4.815 9.369 ( -2.926 -4.610 1.774) 5.741 9.576 ( -0.872 -2.744 1.835) 3.414 9.672 ( -0.731 -1.698 -0.824) 2.024 9.753 ( -3.360 -2.076 3.568) 5.323 9.920 ( 4.014 -3.223 1.313) 5.313 10.075 ( -0.087 0.977 -3.988) 4.107 10.193 ( 2.450 -1.739 -10.009) 10.451 10.497 ( -8.843 -2.613 3.735) 9.948 10.555 ( 5.632 -3.142 3.637) 7.404 16.592 ( -2.243 2.074 -0.033) 3.055 16.649 ( -0.281 1.082 -0.920) 1.448 16.713 ( 0.122 1.844 1.198) 2.202 16.823 ( 2.714 -0.374 -0.991) 2.913 17.445 ( 0.143 -1.828 0.805) 2.002 17.480 ( 0.022 -1.170 -0.378) 1.230 17.808 ( -0.808 -7.467 0.027) 7.511 17.815 ( 1.196 -6.332 1.045) 6.528 17.964 ( 0.317 -1.170 -0.135) 1.220 17.996 ( 1.642 -1.361 -1.294) 2.495 18.067 ( 1.339 -0.377 0.831) 1.621 18.079 ( -0.805 0.647 -0.154) 1.044 18.290 ( 0.803 5.861 0.484) 5.935 18.393 ( 6.401 4.612 -2.714) 8.343 18.525 ( -0.594 3.368 3.207) 4.689 18.612 ( 4.114 2.053 0.916) 4.688 21.401 ( -0.826 0.461 -0.170) 0.961 21.415 ( 0.879 0.538 0.211) 1.052 21.497 ( -0.133 -0.918 0.655) 1.136 21.511 ( 0.212 -1.574 0.568) 1.686 21.824 ( -0.079 0.298 -0.045) 0.311 21.835 ( 0.199 0.279 -0.190) 0.392 21.842 ( -0.001 -0.119 -0.170) 0.207 21.845 ( 0.008 0.086 -0.715) 0.720 26.778 ( -0.279 0.781 -0.060) 0.832 26.798 ( 0.332 0.950 -0.358) 1.068 26.936 ( -0.179 -1.921 0.451) 1.982 26.944 ( 0.160 -1.665 0.196) 1.684 27.314 ( -1.078 0.562 0.247) 1.240 27.329 ( -0.486 0.306 -0.002) 0.574 27.351 ( -0.567 0.214 0.702) 0.927 27.374 ( -0.392 0.443 -0.005) 0.592 34.985 ( 1.767 3.973 3.366) 5.499 35.243 ( 1.811 1.370 -5.268) 5.736 35.624 ( 1.403 2.428 3.635) 4.591 35.905 ( 0.651 -0.245 -5.128) 5.175 36.259 ( -0.851 1.827 1.349) 2.426 36.369 ( -1.093 6.861 -2.275) 7.310 36.881 ( -2.627 -6.100 0.927) 6.706 37.020 ( 4.923 -1.267 -0.205) 5.088 38.029 ( -2.120 2.689 1.729) 3.835 38.250 ( 4.665 -0.528 -1.658) 4.978 38.566 ( -1.574 -7.898 -0.647) 8.080 38.645 ( -1.159 -6.137 -2.754) 6.826 39.656 ( 0.985 4.978 5.594) 7.553 39.794 ( -6.855 5.358 -2.936) 9.183 40.293 ( -1.015 -4.787 9.519) 10.703 40.431 ( -7.503 -1.719 -1.724) 7.888 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -12.059 20.984 -1.148) 24.229 1.450 ( -19.814 7.579 -6.704) 22.248 1.884 ( -0.077 -1.062 -2.691) 2.894 1.967 ( -0.553 3.219 3.308) 4.649 2.222 ( 2.027 5.965 -4.422) 7.697 2.300 ( -0.787 1.239 -0.575) 1.576 2.441 ( 3.199 0.724 0.945) 3.413 2.476 ( 10.177 -1.222 3.940) 10.981 2.594 ( 5.177 -7.646 -1.516) 9.358 2.635 ( -2.920 -0.138 5.083) 5.864 2.846 ( 1.092 -3.700 5.431) 6.662 2.890 ( -2.192 -0.216 3.773) 4.369 3.053 ( -6.727 -1.619 2.662) 7.413 3.209 ( -2.307 -5.628 -0.390) 6.095 3.228 ( -0.985 -4.108 -0.971) 4.335 3.328 ( -4.813 0.662 -2.349) 5.396 3.403 ( -5.480 0.651 1.313) 5.672 3.499 ( -8.979 0.730 1.106) 9.076 3.541 ( -4.223 -0.577 -3.295) 5.387 3.607 ( -8.520 -3.077 1.719) 9.220 3.666 ( -7.693 5.258 1.030) 9.375 3.733 ( 2.602 -0.364 1.778) 3.173 3.816 ( -5.284 6.307 -2.476) 8.592 3.828 ( -2.681 2.032 3.634) 4.952 4.043 ( -0.246 -2.727 -5.065) 5.758 4.058 ( -0.269 4.361 1.746) 4.706 4.119 ( 2.852 -0.642 3.223) 4.351 4.228 ( -0.817 -0.706 0.006) 1.079 4.310 ( -1.526 -1.301 -3.591) 4.113 4.355 ( -1.986 0.441 -1.817) 2.728 4.572 ( 0.973 2.376 -1.444) 2.946 4.592 ( -0.950 -1.773 -2.550) 3.248 4.659 ( -5.323 1.238 3.750) 6.628 4.794 ( 2.365 -3.390 -2.157) 4.662 4.807 ( 0.766 -0.285 2.837) 2.952 4.843 ( -0.851 -1.814 2.748) 3.401 4.948 ( 1.527 -2.575 2.069) 3.639 4.960 ( 4.304 0.311 0.816) 4.392 5.056 ( -2.828 0.683 -1.052) 3.094 5.141 ( 1.325 3.825 3.682) 5.472 5.208 ( 1.566 5.098 -4.612) 7.051 5.264 ( 1.757 1.425 -3.071) 3.814 5.324 ( 1.357 -1.394 -6.649) 6.928 5.494 ( -2.257 -2.161 6.435) 7.153 5.618 ( -5.741 -0.727 3.995) 7.032 5.658 ( -6.164 3.822 5.357) 9.016 5.755 ( -3.853 -0.465 1.514) 4.166 5.809 ( -4.044 -3.356 6.342) 8.236 5.851 ( -5.834 1.991 2.234) 6.557 5.932 ( -1.763 -0.989 -1.690) 2.635 6.055 ( -1.142 -4.309 0.287) 4.467 6.123 ( -0.773 1.515 -5.700) 5.948 6.187 ( 5.291 0.729 -0.923) 5.420 6.302 ( -2.676 0.120 3.235) 4.200 6.349 ( -1.620 1.794 -0.304) 2.436 6.404 ( 2.451 0.176 2.909) 3.808 6.470 ( -0.571 3.750 -0.685) 3.855 6.487 ( 1.019 3.102 -2.040) 3.850 6.519 ( -2.509 1.284 -11.415) 11.758 6.615 ( 1.103 0.463 5.070) 5.209 6.790 ( 1.083 1.102 -2.915) 3.299 6.811 ( 2.262 -3.980 -6.069) 7.602 6.934 ( -2.155 -0.286 -3.873) 4.442 6.971 ( 1.519 -2.584 -5.533) 6.292 7.067 ( -2.620 -0.401 -1.359) 2.979 7.100 ( 2.194 -0.364 2.131) 3.080 7.163 ( 1.632 -3.235 1.203) 3.818 7.191 ( -1.188 3.016 4.960) 5.926 7.325 ( 1.966 2.488 2.219) 3.871 7.446 ( -2.420 9.251 -2.949) 10.006 7.468 ( -1.262 -4.976 -5.539) 7.552 7.646 ( -2.384 5.993 5.774) 8.657 7.760 ( -4.656 1.152 -0.620) 4.836 7.849 ( 1.662 1.311 1.761) 2.753 7.894 ( 0.529 4.899 -2.951) 5.743 8.059 ( 2.735 3.798 -3.562) 5.881 8.315 ( -1.241 -0.106 4.098) 4.283 8.367 ( -3.991 -1.415 1.301) 4.430 8.383 ( -4.457 -2.103 -0.072) 4.929 8.459 ( 0.755 0.592 1.502) 1.782 8.521 ( -2.420 -1.980 1.255) 3.369 8.644 ( -0.409 1.422 1.994) 2.483 8.763 ( -0.520 0.925 -3.346) 3.510 8.779 ( -3.659 2.117 2.145) 4.740 8.921 ( -6.420 1.122 -0.695) 6.554 9.121 ( -3.570 -3.643 -4.927) 7.092 9.283 ( -3.959 -2.941 -0.080) 4.932 9.386 ( -2.877 -3.926 2.791) 5.611 9.561 ( -1.661 -4.639 -0.493) 4.952 9.647 ( -3.218 -1.448 2.481) 4.314 9.688 ( -5.610 -4.025 -1.106) 6.992 9.948 ( -1.382 -5.723 0.856) 5.950 9.991 ( -3.352 1.511 -5.303) 6.453 10.097 ( -2.095 -3.133 -6.565) 7.569 10.417 ( -5.355 0.989 2.446) 5.970 10.770 ( 11.362 -4.704 6.631) 13.971 16.545 ( -2.872 1.693 -0.017) 3.334 16.613 ( -2.264 0.689 -0.432) 2.405 16.754 ( 2.533 2.572 0.918) 3.725 16.863 ( 2.948 -0.294 -1.137) 3.173 17.456 ( 0.086 -1.342 0.402) 1.404 17.481 ( 0.670 -1.147 0.078) 1.331 17.779 ( -0.985 -7.320 -1.555) 7.548 17.860 ( 1.224 -4.809 2.349) 5.490 17.983 ( 1.681 -1.332 0.315) 2.167 18.025 ( 1.738 -1.607 -0.538) 2.427 18.086 ( 3.133 1.569 -0.468) 3.535 18.123 ( 3.546 0.697 1.064) 3.768 18.326 ( 3.120 5.449 -0.270) 6.285 18.504 ( 9.958 2.894 -2.764) 10.732 18.589 ( 4.401 3.630 2.809) 6.358 18.731 ( 8.467 1.341 0.750) 8.605 21.384 ( -0.780 0.487 -0.253) 0.954 21.436 ( 1.030 0.461 0.442) 1.212 21.500 ( -0.208 -0.712 0.425) 0.855 21.520 ( -0.043 -2.364 0.513) 2.419 21.822 ( -0.260 0.164 0.191) 0.362 21.830 ( -0.166 0.131 -0.762) 0.791 21.840 ( 0.174 -0.036 -0.527) 0.556 21.845 ( 0.501 0.378 -0.124) 0.640 26.771 ( -0.395 0.704 -0.031) 0.807 26.802 ( 0.548 1.013 -0.240) 1.177 26.933 ( -0.529 -2.304 0.199) 2.373 26.948 ( 0.089 -1.485 0.084) 1.490 27.285 ( -2.374 0.735 0.086) 2.487 27.305 ( -2.170 0.455 -0.090) 2.219 27.343 ( -1.266 0.357 0.540) 1.422 27.363 ( -0.918 0.190 0.098) 0.942 35.082 ( 4.609 3.114 4.186) 6.961 35.242 ( 5.302 4.366 -5.689) 8.918 35.695 ( 1.906 0.981 3.817) 4.377 35.840 ( -0.631 0.034 -6.901) 6.930 36.243 ( -1.847 2.803 0.813) 3.454 36.374 ( 2.034 7.009 1.352) 7.422 36.786 ( -3.757 -3.031 -5.529) 7.340 37.177 ( 8.690 -3.812 3.816) 10.228 38.028 ( 0.053 1.855 2.052) 2.767 38.330 ( 6.783 -0.907 -2.233) 7.198 38.479 ( -4.652 -4.892 -1.880) 7.008 38.657 ( 1.259 -8.722 1.556) 8.949 39.522 ( -16.685 2.058 -2.905) 17.060 39.723 ( -3.132 8.251 3.572) 9.521 39.972 ( -23.376 -3.511 -7.706) 24.863 40.597 ( 3.330 -5.185 17.316) 18.380 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -21.062 14.443 -6.155) 26.270 1.124 ( -13.239 26.805 2.406) 29.993 1.772 ( -3.138 -3.137 -6.247) 7.662 1.942 ( -19.520 6.622 11.269) 23.492 2.133 ( -0.543 8.462 -10.078) 13.171 2.361 ( 3.532 1.688 0.157) 3.918 2.479 ( -9.846 -4.734 -0.013) 10.925 2.520 ( 2.998 0.240 3.145) 4.352 2.610 ( -1.451 -4.132 -4.903) 6.575 2.737 ( -5.277 -3.024 5.652) 8.302 2.777 ( -8.264 -5.527 -1.811) 10.106 2.916 ( -5.847 -2.636 -1.022) 6.494 2.955 ( 0.115 -2.288 8.447) 8.753 3.069 ( -6.438 -2.224 -1.069) 6.894 3.156 ( -1.689 2.450 -2.985) 4.215 3.206 ( -9.018 1.935 1.913) 9.420 3.293 ( -4.535 3.724 0.755) 5.916 3.342 ( -10.395 -0.018 2.179) 10.621 3.493 ( -1.146 -6.788 0.018) 6.884 3.542 ( -0.793 -3.602 3.733) 5.247 3.599 ( -3.933 0.745 1.926) 4.442 3.705 ( -0.958 -0.455 -1.303) 1.680 3.810 ( 2.314 2.921 -2.549) 4.515 3.839 ( -1.410 3.109 3.450) 4.854 4.015 ( -1.815 4.761 -2.988) 5.906 4.054 ( 3.773 -4.190 -4.805) 7.408 4.185 ( 2.371 -0.685 -2.851) 3.770 4.225 ( 2.041 -1.269 2.485) 3.457 4.317 ( 0.480 0.777 1.151) 1.469 4.344 ( 2.185 3.501 1.549) 4.408 4.481 ( -3.459 0.648 -2.919) 4.572 4.582 ( -5.859 0.340 3.342) 6.754 4.626 ( 1.607 5.115 -1.767) 5.645 4.789 ( 0.775 -6.255 -2.307) 6.712 4.846 ( 2.655 0.925 -0.269) 2.824 4.891 ( 1.347 -3.148 3.753) 5.080 4.980 ( -2.629 0.874 -3.479) 4.447 4.985 ( 4.237 -4.147 -4.255) 7.298 5.088 ( 3.564 -0.454 6.988) 7.857 5.147 ( -1.923 1.004 -2.206) 3.094 5.208 ( 1.406 4.771 -3.404) 6.028 5.222 ( -0.818 2.634 -7.038) 7.559 5.346 ( 6.184 -0.422 1.296) 6.332 5.460 ( -10.524 -8.963 1.813) 13.941 5.545 ( -2.293 2.927 3.636) 5.200 5.593 ( -7.300 0.882 3.192) 8.016 5.706 ( -1.782 0.456 1.529) 2.392 5.746 ( -5.094 0.757 1.147) 5.277 5.854 ( -3.459 -0.872 6.040) 7.014 5.874 ( -3.429 -0.658 -2.271) 4.165 5.973 ( -3.071 1.247 4.891) 5.908 6.124 ( 0.132 -0.389 -3.885) 3.907 6.196 ( -7.289 -1.009 -1.515) 7.513 6.265 ( 1.379 -1.107 -6.294) 6.538 6.329 ( -1.100 7.545 0.151) 7.626 6.382 ( -1.226 -2.841 2.057) 3.715 6.436 ( 1.898 -0.623 0.187) 2.006 6.462 ( 1.685 1.688 -1.238) 2.687 6.546 ( 3.578 4.568 0.041) 5.803 6.690 ( 0.487 1.089 0.056) 1.194 6.755 ( 0.118 1.418 -0.869) 1.668 6.791 ( 2.279 -0.161 -4.845) 5.356 6.815 ( -2.733 -3.226 -2.368) 4.846 6.954 ( 1.469 -0.004 -4.595) 4.824 7.038 ( -0.126 0.296 -0.805) 0.867 7.137 ( -2.434 1.864 3.412) 4.587 7.169 ( -0.525 -0.621 -1.357) 1.583 7.208 ( -2.964 -0.658 2.726) 4.081 7.319 ( -1.715 3.210 -1.052) 3.789 7.448 ( 9.061 -2.035 -7.722) 12.078 7.501 ( 5.448 5.902 7.095) 10.717 7.643 ( -5.053 3.834 4.756) 7.928 7.666 ( -7.354 -0.287 2.310) 7.714 7.892 ( 2.379 2.272 -1.505) 3.618 7.928 ( 1.328 3.993 3.971) 5.786 8.052 ( 0.368 0.590 -3.416) 3.486 8.232 ( -5.138 -3.907 -5.465) 8.458 8.328 ( -5.728 -4.755 3.300) 8.143 8.352 ( -0.765 3.110 4.528) 5.546 8.500 ( 1.406 1.857 -0.706) 2.433 8.519 ( 0.009 0.513 4.649) 4.677 8.593 ( -5.741 2.771 -2.844) 6.981 8.687 ( -2.056 1.593 -5.317) 5.919 8.749 ( 0.865 2.399 -2.527) 3.590 8.848 ( -4.648 -1.156 4.655) 6.679 9.004 ( -4.320 0.556 -3.324) 5.479 9.229 ( -3.634 -2.780 1.577) 4.840 9.311 ( -9.514 -3.758 2.669) 10.572 9.485 ( -2.106 -7.394 -11.084) 13.489 9.570 ( -6.332 -3.721 0.545) 7.364 9.628 ( -1.807 -3.598 2.608) 4.797 9.871 ( -1.086 2.788 -9.855) 10.299 9.918 ( -4.774 -7.940 4.790) 10.429 10.015 ( -3.107 -2.911 0.008) 4.258 10.349 ( -4.812 3.905 0.639) 6.230 11.030 ( 7.841 -10.120 9.871) 16.166 16.503 ( -2.209 1.381 0.198) 2.612 16.578 ( -1.219 0.965 -0.353) 1.594 16.803 ( 1.821 2.361 0.883) 3.110 16.892 ( 2.134 -0.401 -1.283) 2.523 17.455 ( -0.239 -2.143 -0.094) 2.158 17.515 ( 3.276 1.874 0.406) 3.796 17.743 ( -0.869 -7.026 -2.262) 7.432 17.902 ( 0.913 -4.534 1.800) 4.963 18.005 ( 0.581 -0.778 -0.807) 1.262 18.052 ( 0.730 -0.094 3.855) 3.925 18.163 ( 5.159 2.000 -0.471) 5.553 18.193 ( 3.349 2.390 0.345) 4.129 18.389 ( 4.873 4.244 -0.448) 6.478 18.652 ( 10.320 1.045 -2.152) 10.594 18.728 ( 8.634 3.833 1.602) 9.581 18.893 ( 9.601 0.791 -0.174) 9.635 21.371 ( -0.488 0.463 -0.141) 0.688 21.456 ( 0.916 0.401 0.118) 1.007 21.499 ( -0.394 -1.364 -0.091) 1.423 21.514 ( -0.929 -2.935 -0.270) 3.090 21.815 ( -0.509 0.359 -0.298) 0.690 21.823 ( 0.055 0.041 -0.031) 0.075 21.838 ( 0.106 0.082 -0.359) 0.383 21.855 ( 0.568 0.408 0.325) 0.771 26.765 ( -0.369 0.637 0.144) 0.750 26.810 ( 0.633 1.197 -0.188) 1.367 26.924 ( -0.555 -2.594 -0.025) 2.653 26.949 ( 0.070 -1.231 -0.130) 1.240 27.243 ( -2.487 0.930 0.143) 2.659 27.263 ( -2.512 0.367 -0.015) 2.539 27.319 ( -1.879 0.601 0.051) 1.973 27.345 ( -1.264 0.274 -0.055) 1.295 35.221 ( 6.485 2.883 4.543) 8.427 35.315 ( 10.299 8.524 -4.403) 14.076 35.713 ( -2.019 0.288 -6.359) 6.678 35.785 ( 1.602 1.157 1.100) 2.262 36.239 ( 0.248 3.235 1.254) 3.478 36.442 ( 2.266 9.111 3.562) 10.041 36.658 ( -2.875 -1.781 -6.888) 7.674 37.358 ( 6.735 -5.406 4.727) 9.845 38.089 ( 4.306 0.917 3.077) 5.371 38.359 ( 1.004 -1.080 -5.945) 6.125 38.461 ( 2.851 -3.680 2.682) 5.372 38.685 ( -1.568 -11.190 3.032) 11.699 39.171 ( -20.100 0.540 -2.808) 20.303 39.434 ( -25.847 -4.005 -9.989) 27.998 39.695 ( -4.787 12.773 0.660) 13.657 40.809 ( -1.493 -14.244 16.194) 21.618 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -14.218 18.934 10.241) 25.798 0.929 ( -20.458 22.221 7.967) 31.237 1.487 ( -38.885 24.854 18.693) 49.791 1.736 ( 3.840 -0.801 -4.413) 5.904 2.010 ( -1.292 7.060 -11.729) 13.751 2.254 ( -10.266 -2.376 -7.866) 13.150 2.340 ( -3.772 -7.002 -0.071) 7.953 2.384 ( -10.369 -1.138 -6.312) 12.192 2.590 ( 0.850 1.692 -0.296) 1.917 2.660 ( -2.303 1.096 3.030) 3.961 2.721 ( -8.243 2.707 -3.220) 9.254 2.747 ( -5.462 2.903 -0.221) 6.190 2.981 ( -1.372 -6.131 1.352) 6.426 3.067 ( 0.688 0.998 3.846) 4.033 3.104 ( 0.747 -4.798 -2.649) 5.531 3.191 ( -1.152 -1.508 -1.042) 2.165 3.258 ( 0.079 0.443 0.248) 0.514 3.285 ( 0.255 -5.635 0.285) 5.648 3.327 ( -13.350 -7.970 -5.061) 16.351 3.564 ( -2.558 -3.748 3.414) 5.678 3.577 ( -3.211 -0.295 0.582) 3.277 3.704 ( 1.767 2.461 -1.549) 3.403 3.826 ( 2.049 0.800 0.184) 2.208 3.843 ( -0.876 3.555 1.542) 3.973 3.939 ( -3.645 4.043 0.553) 5.471 4.056 ( 1.413 -4.759 -4.283) 6.557 4.167 ( 2.493 -0.896 -3.995) 4.794 4.321 ( 4.241 3.465 -3.770) 6.649 4.345 ( 1.630 1.744 0.055) 2.387 4.363 ( 0.300 0.838 1.947) 2.141 4.487 ( -6.107 1.090 0.695) 6.242 4.497 ( 5.778 1.965 3.629) 7.100 4.670 ( 4.383 7.317 -0.414) 8.539 4.760 ( -2.815 -1.846 -2.606) 4.257 4.848 ( 0.668 -3.364 -4.796) 5.896 4.905 ( -0.074 2.096 -2.075) 2.951 4.938 ( 2.556 -3.182 -2.556) 4.816 5.036 ( 2.116 -3.533 1.093) 4.261 5.075 ( -4.533 -2.862 2.051) 5.739 5.083 ( -1.967 -0.591 -8.819) 9.055 5.186 ( 7.132 0.388 -7.905) 10.654 5.244 ( 1.303 1.294 7.212) 7.442 5.304 ( -5.006 -2.903 -2.962) 6.501 5.471 ( 0.718 1.756 -1.084) 2.185 5.511 ( 0.729 1.247 0.337) 1.483 5.553 ( -3.486 5.737 2.612) 7.203 5.688 ( -3.587 1.415 5.883) 7.034 5.725 ( 0.145 -0.777 0.875) 1.179 5.778 ( -3.954 1.541 -1.962) 4.675 5.894 ( -5.462 -3.853 9.744) 11.817 5.972 ( -1.971 -0.793 5.757) 6.136 6.014 ( -7.097 0.199 0.179) 7.102 6.135 ( 2.099 -2.992 1.589) 3.985 6.210 ( -0.236 -1.679 -5.037) 5.315 6.306 ( 0.426 6.231 -4.005) 7.420 6.411 ( -0.504 -1.813 3.356) 3.848 6.490 ( 1.711 2.212 4.582) 5.368 6.531 ( 4.601 1.712 -2.629) 5.569 6.573 ( 3.589 4.804 -3.491) 6.939 6.679 ( 1.753 -0.237 0.456) 1.827 6.730 ( -1.558 0.013 3.093) 3.463 6.795 ( 4.169 -0.474 0.349) 4.210 6.885 ( 0.252 -1.739 3.306) 3.744 6.926 ( 3.016 2.735 -4.520) 6.083 7.023 ( 1.097 5.462 -1.865) 5.875 7.110 ( -2.674 0.465 2.368) 3.602 7.147 ( 0.570 1.382 -0.801) 1.696 7.193 ( 1.278 -0.190 -0.052) 1.293 7.319 ( -3.947 -1.473 5.527) 6.949 7.490 ( -2.765 -1.530 -2.069) 3.777 7.557 ( -8.329 1.523 1.462) 8.592 7.591 ( 2.868 -1.597 1.790) 3.739 7.741 ( 11.073 4.525 5.334) 13.097 7.887 ( -0.875 1.758 -0.497) 2.026 7.927 ( -4.558 -1.317 -3.305) 5.782 8.040 ( 3.500 1.498 -3.180) 4.961 8.113 ( -2.777 -0.628 -2.968) 4.112 8.244 ( -5.955 -3.824 -0.523) 7.096 8.397 ( -5.076 6.481 5.308) 9.795 8.408 ( -6.676 -1.455 -0.310) 6.840 8.511 ( -0.768 3.648 2.479) 4.477 8.557 ( 0.472 1.758 -1.951) 2.668 8.662 ( 5.726 3.003 -3.241) 7.232 8.742 ( 1.071 2.032 -3.730) 4.381 8.832 ( -1.090 -1.955 1.640) 2.775 8.930 ( -2.214 2.450 0.221) 3.309 9.132 ( -13.833 -3.914 1.756) 14.482 9.193 ( -4.726 -3.647 4.548) 7.505 9.283 ( -2.726 -5.913 -15.083) 16.429 9.480 ( -6.867 -3.947 2.922) 8.442 9.633 ( 0.205 -2.958 -0.355) 2.986 9.731 ( 1.245 6.797 -16.031) 17.457 9.918 ( -2.850 -7.420 6.413) 10.213 9.992 ( -3.871 -5.361 7.474) 9.979 10.271 ( -3.325 4.849 -2.089) 6.240 11.189 ( -1.724 -19.957 6.311) 21.002 16.477 ( -1.255 1.110 0.386) 1.719 16.565 ( 0.300 1.003 -1.200) 1.592 16.825 ( -0.131 1.109 0.747) 1.343 16.910 ( 1.436 -0.669 -0.988) 1.867 17.450 ( -0.154 -2.579 -0.056) 2.584 17.587 ( 6.048 4.508 -5.843) 9.541 17.719 ( 0.476 -6.988 1.232) 7.112 17.915 ( -0.005 -5.349 -1.341) 5.515 18.009 ( 0.208 1.108 1.295) 1.717 18.136 ( 1.371 -1.963 7.408) 7.786 18.224 ( 2.458 2.737 -0.672) 3.740 18.234 ( 1.881 3.964 -0.690) 4.442 18.485 ( 6.447 5.254 1.217) 8.405 18.786 ( 7.326 0.728 -1.749) 7.567 18.879 ( 6.680 3.310 1.007) 7.523 19.022 ( 5.840 1.125 -0.989) 6.029 21.366 ( 0.036 0.479 0.043) 0.482 21.439 ( -3.407 -2.506 -2.996) 5.183 21.472 ( -0.167 -0.094 0.197) 0.275 21.504 ( -0.183 -0.194 0.002) 0.266 21.813 ( -0.018 -0.214 0.748) 0.778 21.824 ( 0.054 -0.111 -0.022) 0.125 21.841 ( 0.046 -0.096 1.074) 1.079 21.874 ( 1.044 0.115 0.932) 1.405 26.762 ( -0.266 0.626 0.378) 0.778 26.817 ( 0.432 1.290 -0.342) 1.403 26.918 ( -0.087 -2.439 0.220) 2.451 26.950 ( 0.354 -0.868 -0.163) 0.951 27.209 ( -1.620 1.038 0.041) 1.924 27.229 ( -1.578 0.136 0.384) 1.630 27.290 ( -1.142 1.040 -0.081) 1.547 27.324 ( -0.924 0.395 -0.178) 1.021 35.398 ( 6.453 1.736 5.197) 8.465 35.508 ( 19.671 13.297 -8.739) 25.301 35.578 ( -4.387 1.332 -4.925) 6.729 35.836 ( 1.953 1.106 1.216) 2.553 36.280 ( 3.120 4.203 1.007) 5.331 36.462 ( 0.056 10.460 -6.343) 12.233 36.660 ( 5.524 -0.023 15.277) 16.245 37.481 ( 1.089 -7.003 4.513) 8.403 38.237 ( 8.159 -0.410 3.188) 8.770 38.337 ( 3.281 1.294 -2.192) 4.152 38.524 ( 0.861 -6.227 -0.196) 6.289 38.636 ( -9.771 -14.325 2.755) 17.558 38.814 ( -18.574 0.157 -2.076) 18.691 38.924 ( -20.635 -2.280 -7.101) 21.941 39.625 ( 0.336 16.506 -5.144) 17.292 40.716 ( -21.269 -20.871 -11.085) 31.794 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.545 17.498 12.483) 21.550 1.210 ( 0.684 21.209 13.481) 25.140 1.561 ( -0.697 -9.703 7.870) 12.513 1.980 ( 3.492 -8.113 -3.861) 9.640 2.019 ( -0.573 7.483 4.771) 8.893 2.147 ( 1.721 -2.544 -0.126) 3.074 2.171 ( 9.598 16.140 -4.549) 19.321 2.381 ( 0.174 13.085 -13.630) 18.895 2.593 ( -11.351 9.304 2.964) 14.973 2.655 ( -0.260 3.172 -4.364) 5.401 2.711 ( 4.304 4.004 -2.673) 6.458 2.808 ( 2.614 -4.854 -6.809) 8.762 2.902 ( 1.445 -2.775 -0.067) 3.130 2.927 ( -4.363 -7.196 -0.882) 8.461 3.006 ( -6.418 -3.575 -2.990) 7.932 3.050 ( 1.670 -4.398 -1.230) 4.862 3.104 ( -3.504 -1.216 0.338) 3.724 3.217 ( -0.410 -2.781 1.561) 3.216 3.273 ( 0.250 0.386 -1.241) 1.323 3.481 ( -4.351 7.763 -2.146) 9.154 3.596 ( 4.449 -1.875 -1.877) 5.180 3.632 ( -2.419 -4.656 -1.116) 5.364 3.809 ( -3.537 -2.817 0.563) 4.556 3.905 ( 1.603 -1.306 -0.397) 2.105 3.941 ( 5.975 -1.724 2.400) 6.666 4.067 ( 1.449 0.151 3.032) 3.364 4.202 ( 3.029 3.732 -3.943) 6.217 4.337 ( -1.228 -0.949 -3.345) 3.688 4.398 ( -2.072 2.888 1.811) 3.989 4.406 ( -0.376 0.916 1.062) 1.452 4.493 ( 1.809 -0.421 -3.450) 3.918 4.578 ( 0.089 -3.647 2.623) 4.493 4.664 ( -4.098 -2.248 -0.430) 4.694 4.717 ( 2.577 -0.193 -5.971) 6.507 4.810 ( 1.416 1.556 -2.311) 3.125 4.827 ( -0.495 -2.425 -4.995) 5.575 4.898 ( -2.182 -1.429 1.395) 2.958 4.983 ( 0.670 3.864 3.255) 5.097 5.046 ( 5.320 -0.351 -2.974) 6.105 5.089 ( 2.012 2.365 -2.430) 3.943 5.179 ( 1.703 -1.668 0.186) 2.391 5.308 ( 1.062 3.380 -0.315) 3.557 5.364 ( -1.638 -1.020 3.228) 3.761 5.435 ( -2.072 1.517 0.311) 2.587 5.573 ( -2.600 4.815 -4.205) 6.901 5.602 ( -0.443 1.915 -2.687) 3.329 5.699 ( 0.023 -0.846 -0.704) 1.101 5.762 ( -2.641 2.644 1.573) 4.054 5.799 ( -1.448 4.629 5.230) 7.133 5.840 ( 0.254 -2.065 7.913) 8.182 5.906 ( -2.520 0.066 0.463) 2.563 6.040 ( 1.607 -3.071 5.410) 6.425 6.078 ( 1.558 -3.460 2.547) 4.570 6.182 ( 2.080 -1.609 1.719) 3.142 6.377 ( -0.497 0.801 7.789) 7.846 6.441 ( 2.520 3.375 -3.661) 5.580 6.517 ( -0.372 -1.682 -2.477) 3.017 6.584 ( 2.892 -1.528 -0.699) 3.345 6.610 ( -3.863 0.919 -0.033) 3.971 6.710 ( 0.175 -1.819 0.013) 1.828 6.778 ( -0.546 -0.304 3.931) 3.980 6.835 ( 3.832 -2.403 0.554) 4.557 6.867 ( 2.415 1.955 -0.909) 3.237 6.996 ( 2.109 -2.298 -1.414) 3.424 7.100 ( -3.948 5.101 2.406) 6.884 7.143 ( -2.654 3.298 -2.573) 4.954 7.197 ( 3.696 -0.138 0.861) 3.798 7.220 ( 2.793 0.721 0.064) 2.885 7.269 ( -9.957 0.220 -1.959) 10.150 7.293 ( 0.741 -1.221 0.415) 1.488 7.566 ( 2.159 2.511 7.333) 8.046 7.674 ( 6.085 -4.133 5.084) 8.942 7.726 ( -3.390 3.538 -6.478) 8.122 7.925 ( 3.298 -2.914 -0.307) 4.412 8.005 ( -0.255 0.453 -3.783) 3.819 8.064 ( -2.120 0.420 0.960) 2.365 8.115 ( 4.029 -1.699 -1.325) 4.569 8.187 ( 1.619 3.310 0.672) 3.746 8.210 ( -8.391 -2.626 1.221) 8.877 8.364 ( -2.889 -3.750 -8.142) 9.418 8.600 ( 2.159 3.112 3.312) 5.031 8.647 ( 1.746 2.819 1.434) 3.613 8.728 ( -1.557 3.566 -1.951) 4.353 8.847 ( 7.199 3.134 -1.482) 7.990 8.862 ( 3.926 2.649 0.332) 4.747 8.912 ( -2.300 0.136 -1.326) 2.658 9.029 ( -6.230 6.900 10.307) 13.880 9.040 ( -2.711 -4.930 2.073) 5.996 9.199 ( 3.127 -0.273 1.541) 3.497 9.295 ( -5.157 -7.364 2.869) 9.437 9.574 ( -0.075 -3.884 2.515) 4.628 9.735 ( 2.999 -1.850 -4.631) 5.819 9.780 ( -1.892 -5.780 7.191) 9.418 9.918 ( 2.133 -4.008 -3.088) 5.491 10.335 ( 0.549 9.277 -7.756) 12.105 10.803 ( -1.462 -14.485 -6.433) 15.916 16.492 ( -0.097 1.443 -0.007) 1.446 16.542 ( -0.151 -0.858 -1.415) 1.661 16.850 ( -0.053 1.245 0.752) 1.455 16.900 ( 0.540 -1.167 -0.525) 1.389 17.418 ( 0.125 -0.045 0.651) 0.665 17.534 ( -0.650 -3.055 -2.878) 4.247 17.678 ( 1.471 -2.172 -2.768) 3.814 17.775 ( -0.424 -5.198 -3.803) 6.455 18.059 ( -0.267 0.947 3.469) 3.606 18.119 ( -2.108 -2.651 4.496) 5.629 18.284 ( 0.108 2.206 -1.364) 2.596 18.306 ( 0.389 1.417 -0.587) 1.583 18.718 ( 0.316 6.682 2.342) 7.088 18.858 ( 0.735 -0.119 0.071) 0.748 19.017 ( -0.195 3.848 0.075) 3.854 19.091 ( -0.252 0.727 -0.926) 1.204 21.378 ( -0.291 0.265 -0.142) 0.419 21.384 ( 0.831 -0.073 -0.064) 0.837 21.482 ( -0.034 0.435 0.085) 0.444 21.497 ( -0.193 -0.254 -0.203) 0.378 21.814 ( 0.044 0.010 -0.092) 0.102 21.819 ( 0.071 -0.220 -0.293) 0.373 21.852 ( -0.153 0.073 1.427) 1.437 21.878 ( 0.084 -1.122 0.848) 1.409 26.784 ( -0.174 1.462 0.641) 1.605 26.842 ( 0.069 1.064 -0.822) 1.347 26.878 ( -0.155 -1.850 1.054) 2.134 26.928 ( 0.110 -1.727 -0.333) 1.762 27.211 ( -0.138 0.785 0.089) 0.802 27.220 ( -0.090 0.249 0.168) 0.314 27.305 ( 0.002 1.083 0.116) 1.089 27.323 ( 0.143 0.195 -0.090) 0.259 35.475 ( -4.968 4.061 0.203) 6.419 35.596 ( 1.820 -1.014 3.772) 4.310 35.717 ( 5.682 3.503 -7.460) 10.010 35.836 ( 0.010 -1.655 -2.510) 3.006 36.412 ( -1.194 6.403 1.668) 6.724 36.578 ( 0.458 4.808 0.103) 4.831 36.950 ( 3.961 -4.973 11.632) 13.256 37.274 ( -3.465 -11.887 -0.229) 12.384 38.286 ( -3.833 -0.130 0.059) 3.836 38.298 ( -6.161 -0.911 0.332) 6.237 38.489 ( 4.094 2.411 1.340) 4.937 38.561 ( 11.542 -1.644 0.326) 11.663 38.598 ( -1.814 0.792 -1.269) 2.352 38.669 ( -1.671 -2.700 -1.940) 3.721 39.868 ( 1.113 10.356 -4.429) 11.318 40.116 ( -6.608 -0.281 -13.263) 14.821 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 17.253 15.128 8.850) 24.594 1.484 ( 8.596 14.867 18.239) 25.052 1.762 ( 11.483 -6.526 7.666) 15.272 2.060 ( 7.772 -4.201 -5.208) 10.256 2.150 ( 12.090 0.612 -2.729) 12.409 2.201 ( 3.164 8.000 3.183) 9.173 2.251 ( 6.109 11.825 -17.677) 22.128 2.341 ( 7.085 3.920 0.290) 8.102 2.466 ( -4.840 4.405 0.499) 6.563 2.527 ( -1.302 0.304 -12.268) 12.341 2.717 ( -4.022 -0.705 -0.757) 4.153 2.787 ( -3.459 -2.463 -5.285) 6.779 2.855 ( 10.526 -3.950 -3.183) 11.685 2.893 ( 5.289 -5.235 2.262) 7.778 2.991 ( 2.327 0.196 5.374) 5.859 3.077 ( 2.887 -5.558 1.463) 6.432 3.156 ( 2.685 0.469 -4.178) 4.989 3.225 ( 2.786 -5.878 2.520) 6.976 3.311 ( 0.242 -3.372 -0.164) 3.385 3.386 ( 1.938 10.901 -2.872) 11.438 3.578 ( -0.989 -3.767 -1.966) 4.362 3.693 ( 5.638 2.228 -0.341) 6.071 3.785 ( -1.269 -2.007 2.122) 3.185 3.933 ( 2.256 -0.750 0.355) 2.403 4.063 ( 4.671 -1.511 0.420) 4.927 4.127 ( 1.395 -1.871 2.289) 3.269 4.194 ( 1.533 4.149 -4.726) 6.473 4.246 ( -6.153 -0.875 -1.186) 6.327 4.366 ( -4.409 2.730 0.603) 5.221 4.379 ( -0.554 -1.311 -4.712) 4.922 4.442 ( -1.637 2.707 1.457) 3.483 4.583 ( -2.098 -0.086 2.599) 3.341 4.667 ( 0.410 -0.938 -6.063) 6.149 4.710 ( 4.972 -7.315 -0.427) 8.855 4.765 ( -1.433 0.905 -2.447) 2.976 4.794 ( 0.627 0.551 -4.279) 4.359 4.877 ( 0.930 1.268 2.279) 2.769 5.039 ( 0.085 5.852 1.739) 6.106 5.054 ( 1.987 4.081 -1.484) 4.775 5.171 ( 7.374 -3.584 -1.930) 8.423 5.236 ( 3.021 0.654 0.948) 3.233 5.319 ( -1.492 0.359 2.395) 2.845 5.353 ( -0.902 -1.289 -0.369) 1.616 5.420 ( 0.686 1.853 0.010) 1.976 5.504 ( 0.188 5.431 -1.744) 5.707 5.589 ( 0.368 1.536 -1.465) 2.154 5.662 ( -4.125 -0.790 0.638) 4.248 5.721 ( -3.918 4.870 3.156) 7.002 5.834 ( 3.022 -0.672 -1.464) 3.425 5.890 ( -0.620 1.529 2.341) 2.865 5.938 ( 3.649 1.547 3.095) 5.029 6.093 ( 0.825 -3.065 1.286) 3.425 6.181 ( 2.969 0.728 5.447) 6.246 6.250 ( 2.500 -0.696 3.015) 3.978 6.409 ( -3.025 3.059 -0.170) 4.305 6.424 ( -3.322 -1.885 -2.731) 4.696 6.463 ( -3.053 -6.914 3.316) 8.254 6.547 ( -2.423 -0.128 -0.414) 2.461 6.633 ( 3.318 -0.285 0.571) 3.379 6.741 ( 2.262 1.483 2.068) 3.404 6.835 ( 3.290 -3.445 2.296) 5.288 6.873 ( -0.674 0.738 1.434) 1.748 6.901 ( -1.552 0.552 -0.022) 1.647 6.963 ( -0.607 0.640 -4.567) 4.651 7.023 ( -3.957 1.294 -0.047) 4.164 7.098 ( -0.864 -0.553 0.447) 1.119 7.129 ( -0.329 -0.178 1.481) 1.527 7.249 ( 2.957 -2.501 3.018) 4.910 7.360 ( 6.220 4.985 -1.651) 8.140 7.393 ( 6.237 2.396 1.815) 6.923 7.533 ( -3.395 3.050 -5.971) 7.516 7.696 ( 0.701 2.253 4.209) 4.825 7.765 ( -2.920 -0.582 3.251) 4.409 7.866 ( -3.976 -7.952 -5.934) 10.690 8.018 ( 0.616 1.104 2.358) 2.675 8.073 ( 3.493 -0.859 6.204) 7.171 8.132 ( -1.593 -0.768 -1.119) 2.092 8.202 ( 5.445 -3.696 -0.799) 6.629 8.247 ( 3.315 0.997 -3.088) 4.639 8.297 ( 4.905 -0.955 -5.763) 7.627 8.601 ( -5.221 3.569 -0.862) 6.383 8.644 ( -0.431 3.850 -1.010) 4.003 8.689 ( 0.940 -0.503 -2.495) 2.713 8.846 ( -1.582 3.900 0.474) 4.235 8.929 ( 3.822 4.712 2.634) 6.615 8.975 ( 4.442 -0.074 0.293) 4.452 9.063 ( 2.373 -5.650 2.460) 6.603 9.172 ( 9.258 6.114 6.067) 12.645 9.251 ( -3.395 -5.638 3.822) 7.610 9.324 ( 7.666 -0.260 2.074) 7.946 9.603 ( -0.389 -2.192 3.888) 4.481 9.710 ( 8.075 6.114 -13.834) 17.146 9.859 ( 0.394 -6.406 3.711) 7.414 9.974 ( 2.530 -11.229 6.683) 13.310 10.292 ( 3.618 5.720 -4.667) 8.221 10.712 ( 0.290 -13.945 -8.255) 16.207 16.503 ( 1.319 1.301 0.171) 1.860 16.538 ( 1.445 -0.377 -1.002) 1.798 16.852 ( -0.651 1.203 0.398) 1.425 16.898 ( -0.147 -1.105 -0.648) 1.289 17.433 ( 0.455 0.515 0.984) 1.200 17.490 ( -0.695 0.246 -2.750) 2.847 17.670 ( -0.068 -5.468 -0.370) 5.481 17.721 ( -0.811 -5.539 -4.026) 6.896 18.084 ( -1.473 0.567 3.571) 3.904 18.113 ( -3.386 -1.258 3.436) 4.985 18.247 ( -2.331 2.197 -1.521) 3.546 18.283 ( -2.517 0.609 -0.465) 2.631 18.682 ( -7.126 6.884 3.102) 10.383 18.802 ( -5.975 1.697 -1.718) 6.444 18.956 ( -7.408 2.649 1.164) 7.953 19.015 ( -6.720 0.451 -1.601) 6.922 21.379 ( 0.357 0.479 0.095) 0.605 21.400 ( 1.215 -0.521 -0.818) 1.555 21.483 ( -0.082 0.033 0.371) 0.381 21.489 ( -0.283 -0.162 -0.295) 0.440 21.813 ( 0.058 -0.004 -0.123) 0.136 21.820 ( 0.329 -0.275 -0.219) 0.481 21.862 ( -0.352 -0.019 1.193) 1.244 21.883 ( -0.415 -0.980 0.592) 1.218 26.790 ( -0.071 1.441 0.749) 1.625 26.834 ( 0.000 1.107 -0.765) 1.345 26.883 ( -0.413 -1.757 0.899) 2.016 26.922 ( -0.263 -1.762 -0.345) 1.815 27.225 ( 1.508 0.822 0.201) 1.729 27.235 ( 1.591 0.331 -0.006) 1.625 27.314 ( 0.791 1.018 0.137) 1.296 27.330 ( 0.837 0.200 -0.253) 0.897 35.364 ( -7.931 6.218 0.553) 10.093 35.584 ( -7.058 -2.905 1.766) 7.834 35.715 ( 2.495 4.559 -5.197) 7.350 35.834 ( 2.810 -0.554 -1.183) 3.098 36.397 ( -3.399 8.356 3.436) 9.653 36.561 ( -1.236 7.323 -1.163) 7.517 37.020 ( -8.584 -9.715 8.541) 15.525 37.215 ( -3.316 -10.977 0.085) 11.467 38.169 ( -6.395 1.351 0.180) 6.539 38.285 ( 2.053 -4.705 1.330) 5.303 38.459 ( -3.534 -0.001 -1.638) 3.895 38.525 ( -3.039 -2.979 0.930) 4.356 38.862 ( 21.146 0.700 -1.040) 21.183 38.944 ( 26.908 -2.686 -2.588) 27.165 39.824 ( 0.163 11.120 -3.827) 11.761 40.031 ( 10.010 2.866 -8.583) 13.493 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 8.041 10.637 6.027) 14.633 1.743 ( 1.609 13.163 10.972) 17.211 1.949 ( 5.909 -1.947 -4.484) 7.669 1.984 ( -6.341 4.030 -16.936) 18.528 2.111 ( 2.383 0.712 -3.117) 3.988 2.271 ( 8.182 3.037 -3.219) 9.302 2.325 ( 1.561 2.128 5.969) 6.526 2.400 ( 0.508 -4.000 -3.097) 5.084 2.460 ( 3.691 -0.883 1.652) 4.140 2.581 ( 12.552 -1.258 -3.886) 13.200 2.660 ( 1.400 -0.751 3.343) 3.702 2.797 ( 4.111 -5.484 1.397) 6.995 2.998 ( 2.697 1.810 2.185) 3.915 3.082 ( 6.656 -0.516 -2.799) 7.239 3.112 ( 5.492 -2.842 -0.649) 6.218 3.163 ( 4.730 -6.746 1.521) 8.378 3.227 ( 14.199 0.460 3.950) 14.745 3.258 ( 3.279 -2.306 -1.361) 4.233 3.334 ( 4.421 1.399 1.744) 4.954 3.512 ( 10.096 3.101 1.721) 10.701 3.566 ( 1.673 0.382 -1.814) 2.497 3.748 ( 2.246 -0.458 -2.100) 3.108 3.788 ( -0.966 -1.187 1.785) 2.351 3.982 ( -0.185 0.076 0.600) 0.633 4.083 ( 2.897 -2.080 -2.096) 4.137 4.109 ( -3.413 6.224 0.709) 7.133 4.140 ( -4.057 0.616 2.448) 4.778 4.198 ( 3.219 -0.278 -6.646) 7.390 4.323 ( 1.821 -3.702 -3.584) 5.465 4.365 ( 0.954 4.620 3.152) 5.673 4.435 ( -0.382 3.675 -1.794) 4.107 4.581 ( -1.851 0.108 2.456) 3.077 4.624 ( 0.463 -0.360 -1.741) 1.837 4.726 ( 0.073 -6.587 -2.036) 6.895 4.753 ( 0.952 3.148 1.479) 3.606 4.799 ( 2.109 -1.239 -0.817) 2.579 4.952 ( 3.590 1.644 -0.084) 3.950 5.033 ( -0.172 3.350 -0.839) 3.458 5.072 ( 2.002 3.026 -2.305) 4.298 5.223 ( 1.026 1.036 -0.371) 1.505 5.289 ( 4.767 -0.416 -2.844) 5.566 5.321 ( -0.447 2.801 3.761) 4.711 5.362 ( 0.879 -0.776 -0.192) 1.188 5.438 ( -1.692 5.748 2.052) 6.333 5.522 ( 1.523 0.469 -0.525) 1.678 5.568 ( 3.253 5.784 -3.051) 7.304 5.632 ( -0.641 -2.874 1.237) 3.194 5.769 ( 2.665 0.059 6.060) 6.620 5.810 ( -2.775 0.797 -1.428) 3.221 5.957 ( 3.306 -3.422 2.309) 5.289 5.982 ( 0.046 6.410 0.631) 6.441 6.109 ( 1.700 0.851 -1.021) 2.158 6.255 ( -4.119 1.151 -4.863) 6.476 6.287 ( 3.503 -2.957 2.711) 5.325 6.339 ( 2.034 3.701 1.366) 4.439 6.397 ( 1.050 -6.721 -0.864) 6.857 6.433 ( -4.178 -5.328 -0.599) 6.798 6.483 ( -4.489 -2.682 2.622) 5.850 6.646 ( -1.681 2.281 -4.988) 5.737 6.796 ( 0.283 1.270 0.456) 1.378 6.843 ( -0.143 -0.464 -2.399) 2.447 6.867 ( 1.522 0.521 -4.748) 5.014 6.877 ( 2.360 3.599 3.386) 5.476 6.973 ( -0.703 0.137 2.439) 2.542 6.999 ( 3.520 0.118 -0.771) 3.606 7.135 ( 0.968 -5.266 3.210) 6.243 7.224 ( 2.591 2.692 7.961) 8.794 7.305 ( -2.837 1.727 -0.159) 3.325 7.359 ( 1.887 0.467 -1.145) 2.256 7.428 ( -4.666 2.361 1.092) 5.342 7.516 ( 2.565 -2.115 1.779) 3.770 7.657 ( -0.663 -4.738 -8.189) 9.484 7.734 ( -0.665 2.263 -0.686) 2.456 7.875 ( 4.990 -0.969 3.270) 6.044 8.061 ( 1.406 5.057 1.806) 5.551 8.117 ( 1.536 1.544 -0.781) 2.314 8.190 ( 2.859 -1.591 3.512) 4.800 8.214 ( 2.379 2.985 -6.063) 7.164 8.304 ( 4.239 -4.319 1.345) 6.200 8.369 ( 6.514 -4.013 -1.133) 7.734 8.519 ( -2.303 5.107 -0.550) 5.629 8.608 ( -2.624 6.639 -0.138) 7.140 8.699 ( 1.820 -2.748 -0.497) 3.334 8.838 ( 0.149 2.540 -0.085) 2.546 9.015 ( 2.448 -0.322 2.004) 3.180 9.044 ( 4.558 0.546 -0.203) 4.595 9.143 ( 4.741 -4.526 -0.540) 6.577 9.242 ( -2.174 -7.501 3.999) 8.774 9.386 ( 10.105 3.934 1.145) 10.903 9.472 ( 6.094 0.920 1.455) 6.333 9.649 ( -1.336 1.337 7.146) 7.392 9.718 ( 9.100 5.361 -11.896) 15.908 9.901 ( 3.495 -3.877 -0.070) 5.220 10.055 ( 4.632 -5.987 -3.626) 8.393 10.389 ( 3.534 -4.555 8.675) 10.416 10.637 ( -0.070 -12.003 -6.232) 13.525 16.539 ( 2.585 1.412 0.355) 2.967 16.567 ( 2.674 0.048 -0.383) 2.701 16.834 ( -1.819 1.385 0.199) 2.295 16.879 ( -1.095 -1.010 -0.883) 1.731 17.445 ( -0.301 1.493 -0.344) 1.562 17.464 ( 0.217 0.779 -0.130) 0.819 17.661 ( -0.595 -6.392 -2.172) 6.777 17.677 ( -0.569 -6.820 0.023) 6.844 18.072 ( -4.036 0.050 2.553) 4.776 18.090 ( -2.912 -0.811 2.222) 3.752 18.181 ( -3.938 1.614 -0.483) 4.284 18.216 ( -4.914 -0.163 0.158) 4.920 18.575 ( -8.243 6.436 2.195) 10.686 18.651 ( -7.288 3.524 -3.949) 9.007 18.816 ( -10.454 1.931 2.053) 10.828 18.856 ( -9.239 0.472 -1.481) 9.369 21.390 ( 0.749 0.390 0.146) 0.857 21.406 ( 0.787 -0.184 -0.966) 1.260 21.481 ( -0.308 -0.198 -0.279) 0.460 21.485 ( -0.272 -0.551 0.419) 0.744 21.815 ( 0.294 0.163 -0.081) 0.345 21.825 ( 0.413 -0.250 -0.149) 0.505 21.864 ( -0.574 -0.009 0.629) 0.851 21.878 ( -0.689 -0.581 0.187) 0.921 26.797 ( 0.047 1.446 0.700) 1.608 26.827 ( 0.050 1.316 -0.585) 1.441 26.886 ( -0.206 -1.888 0.558) 1.979 26.913 ( -0.354 -1.887 -0.468) 1.976 27.261 ( 2.265 0.717 0.206) 2.384 27.268 ( 2.256 0.381 -0.141) 2.293 27.332 ( 1.097 0.814 0.029) 1.366 27.345 ( 1.240 0.305 -0.193) 1.292 35.233 ( -8.156 6.711 0.806) 10.593 35.453 ( -8.496 -3.435 0.310) 9.169 35.698 ( 1.241 6.006 -3.728) 7.177 35.874 ( 2.892 -2.195 -1.262) 3.844 36.376 ( -3.497 8.424 3.318) 9.706 36.537 ( -0.147 7.973 -0.075) 7.974 36.917 ( -8.343 -6.363 0.741) 10.519 37.144 ( -6.841 -9.209 2.790) 11.807 38.111 ( -2.056 3.536 1.988) 4.548 38.301 ( -2.112 -2.898 -1.285) 3.809 38.431 ( 2.379 -6.101 -0.548) 6.571 38.499 ( -1.750 -6.564 2.122) 7.117 39.210 ( 21.173 2.284 -3.606) 21.599 39.352 ( 25.557 -4.059 -6.182) 26.606 39.859 ( 7.061 13.290 -0.620) 15.062 40.190 ( 11.034 -2.697 2.800) 11.699 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -4.867 7.140 -3.038) 9.160 1.691 ( -4.575 0.589 -9.315) 10.395 1.884 ( 3.254 7.971 1.378) 8.719 1.994 ( 4.518 -1.235 -3.397) 5.786 2.149 ( 2.324 1.153 6.196) 6.717 2.351 ( -1.817 1.109 1.565) 2.642 2.382 ( 4.789 -0.493 -0.434) 4.834 2.486 ( 5.399 2.031 2.350) 6.229 2.524 ( 2.969 -3.285 3.432) 5.602 2.684 ( 4.162 3.659 3.122) 6.361 2.776 ( 1.245 4.758 1.547) 5.156 2.848 ( -0.459 1.391 -0.229) 1.483 2.992 ( 3.506 -7.247 -7.983) 11.337 3.093 ( 3.205 -2.308 3.570) 5.324 3.219 ( 3.089 -8.814 -1.413) 9.446 3.237 ( -1.886 -5.531 4.898) 7.625 3.297 ( -2.448 0.501 0.673) 2.587 3.374 ( 2.387 -1.146 0.855) 2.783 3.502 ( 9.356 0.868 -1.111) 9.462 3.606 ( 3.503 -0.121 3.098) 4.678 3.718 ( -0.497 -2.977 -3.185) 4.388 3.761 ( 14.314 2.273 3.441) 14.896 3.811 ( 1.996 0.244 1.003) 2.248 3.908 ( -5.272 4.463 -1.527) 7.075 4.121 ( 3.247 0.141 -0.970) 3.392 4.133 ( 0.418 1.799 4.363) 4.738 4.162 ( 1.661 -0.117 -4.440) 4.742 4.214 ( 8.083 1.328 0.534) 8.208 4.341 ( 1.855 0.901 -1.799) 2.737 4.373 ( -1.574 0.440 -0.788) 1.814 4.445 ( 4.045 5.497 -1.165) 6.923 4.583 ( -0.489 -2.605 3.156) 4.121 4.628 ( 0.165 -2.957 1.060) 3.145 4.715 ( -1.830 -5.162 0.004) 5.476 4.795 ( 0.753 2.093 -0.941) 2.415 4.821 ( 3.073 3.150 2.262) 4.948 4.965 ( 0.380 1.133 -3.106) 3.328 5.000 ( -0.159 2.918 -4.230) 5.141 5.084 ( 2.511 5.277 -3.315) 6.719 5.261 ( 1.596 0.541 2.585) 3.085 5.317 ( -0.057 2.514 -0.468) 2.558 5.367 ( -1.402 1.099 4.715) 5.040 5.387 ( 3.207 9.387 -4.092) 10.730 5.427 ( 2.291 -2.593 3.760) 5.110 5.553 ( 0.340 0.822 0.623) 1.086 5.602 ( 1.824 2.453 -1.464) 3.390 5.658 ( 3.260 -0.698 0.928) 3.460 5.710 ( -2.309 -2.984 -1.453) 4.043 5.914 ( 4.197 0.776 1.235) 4.443 5.985 ( -0.869 0.950 1.216) 1.772 6.047 ( 3.990 1.798 4.539) 6.305 6.102 ( -0.100 2.583 -2.075) 3.315 6.183 ( 0.232 2.967 -0.999) 3.139 6.303 ( -4.179 -0.632 -3.383) 5.414 6.328 ( -0.062 -0.524 2.328) 2.387 6.392 ( 0.230 -6.101 -0.635) 6.138 6.437 ( 1.936 -0.928 -2.702) 3.451 6.488 ( 2.275 -6.712 2.834) 7.632 6.559 ( -0.790 1.930 -4.325) 4.802 6.735 ( -2.735 -3.190 -4.314) 6.022 6.827 ( 1.506 2.802 -6.452) 7.194 6.851 ( 1.624 2.634 -1.147) 3.300 6.950 ( -1.638 2.951 5.267) 6.255 7.019 ( 2.397 -0.220 2.308) 3.335 7.048 ( 3.909 2.304 -1.477) 4.772 7.180 ( 0.961 -2.476 0.699) 2.746 7.210 ( -3.406 -1.566 -3.007) 4.806 7.292 ( -5.249 3.596 4.363) 7.715 7.331 ( -6.316 0.680 2.002) 6.661 7.402 ( 2.735 -2.013 0.278) 3.407 7.561 ( 1.180 -2.366 -4.104) 4.882 7.617 ( 2.738 -1.957 3.571) 4.907 7.742 ( 1.469 2.501 0.930) 3.046 8.010 ( 6.777 -3.331 1.356) 7.673 8.092 ( 1.435 5.652 -1.084) 5.931 8.133 ( 2.693 7.972 -4.578) 9.579 8.197 ( 1.478 2.685 -1.904) 3.608 8.259 ( 1.038 -1.458 3.524) 3.952 8.386 ( 3.583 -3.066 1.766) 5.035 8.460 ( 1.287 -2.497 1.485) 3.178 8.525 ( 3.862 2.326 0.366) 4.524 8.569 ( -1.419 6.777 0.051) 6.924 8.727 ( 1.032 -2.192 1.104) 2.662 8.846 ( 0.863 1.468 -0.080) 1.705 9.057 ( 2.064 -3.574 -0.542) 4.162 9.115 ( 3.410 -0.609 -0.686) 3.531 9.197 ( 3.300 -3.702 -1.411) 5.156 9.255 ( -1.298 -8.190 3.399) 8.961 9.515 ( 3.401 0.100 0.009) 3.403 9.569 ( 6.780 -0.306 -0.776) 6.831 9.692 ( -1.780 3.701 5.303) 6.707 9.752 ( 6.964 3.168 -6.880) 10.289 9.983 ( 6.118 -1.989 -0.878) 6.493 10.095 ( 7.432 -3.900 -6.527) 10.633 10.490 ( -2.682 -5.926 5.575) 8.567 10.581 ( -3.265 -8.802 1.381) 9.489 16.593 ( 3.139 1.583 0.270) 3.526 16.614 ( 3.082 0.670 -0.140) 3.157 16.799 ( -2.573 1.477 0.440) 2.999 16.843 ( -1.937 -0.784 -0.937) 2.290 17.429 ( -0.380 1.419 -0.460) 1.540 17.477 ( 0.141 1.465 0.753) 1.653 17.629 ( 0.271 -7.261 -2.040) 7.547 17.677 ( -1.117 -7.664 1.622) 7.913 18.020 ( -4.047 0.078 1.175) 4.215 18.047 ( -3.804 -1.053 0.468) 3.975 18.114 ( -4.183 0.376 0.599) 4.242 18.136 ( -4.528 -0.996 0.437) 4.657 18.471 ( -5.549 5.794 0.694) 8.052 18.510 ( -3.442 4.383 -4.113) 6.926 18.675 ( -8.203 2.063 2.067) 8.707 18.704 ( -7.191 1.008 -0.158) 7.263 21.404 ( 0.855 0.462 -0.330) 1.026 21.413 ( 0.712 0.212 0.173) 0.762 21.472 ( -0.402 -0.521 -0.229) 0.697 21.483 ( -0.516 -1.010 0.344) 1.185 21.821 ( 0.498 0.275 -0.044) 0.570 21.830 ( 0.448 -0.108 -0.162) 0.488 21.858 ( -0.641 0.069 0.100) 0.653 21.866 ( -0.702 -0.302 -0.069) 0.767 26.803 ( -0.020 1.547 0.294) 1.575 26.825 ( 0.189 1.554 -0.215) 1.580 26.887 ( -0.075 -2.182 0.088) 2.185 26.904 ( -0.138 -2.047 -0.271) 2.069 27.296 ( 1.707 0.475 0.018) 1.772 27.303 ( 1.828 0.271 -0.019) 1.848 27.349 ( 0.932 0.830 0.052) 1.249 27.368 ( 1.332 0.239 0.092) 1.356 35.122 ( -5.960 6.673 1.134) 9.019 35.330 ( -5.643 -3.527 -0.504) 6.674 35.681 ( 0.925 6.759 -2.489) 7.261 35.899 ( 2.478 -3.222 -2.571) 4.810 36.351 ( -2.787 7.594 2.151) 8.370 36.567 ( 2.119 8.065 2.175) 8.617 36.775 ( -6.853 -5.531 -2.499) 9.154 37.055 ( -6.520 -7.983 2.004) 10.501 38.123 ( -0.063 5.471 2.483) 6.009 38.242 ( -1.126 0.356 -2.631) 2.884 38.429 ( -1.209 -7.399 -1.133) 7.582 38.530 ( 0.784 -11.545 2.238) 11.786 39.468 ( 14.968 5.488 -3.885) 16.409 39.669 ( 18.553 -3.070 -3.250) 19.084 40.009 ( 8.586 11.296 1.073) 14.229 40.398 ( 5.214 -7.420 7.063) 11.495 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.149 4.351 -1.310) 4.546 1.641 ( 2.482 -0.870 2.218) 3.441 1.936 ( 0.560 2.164 3.109) 3.829 2.041 ( 3.230 -1.740 0.722) 3.740 2.253 ( 1.995 4.766 1.083) 5.279 2.298 ( -4.632 0.865 0.659) 4.758 2.449 ( 3.321 3.047 -0.235) 4.513 2.531 ( -4.681 3.584 -0.850) 5.956 2.558 ( 2.893 5.374 -0.843) 6.162 2.725 ( -4.558 -0.361 -3.473) 5.742 2.784 ( 4.922 1.404 -2.788) 5.828 2.878 ( 4.317 -1.504 5.149) 6.886 3.016 ( -0.780 -0.656 5.991) 6.077 3.137 ( -4.474 -3.927 -0.890) 6.019 3.219 ( -1.423 -3.785 4.485) 6.038 3.251 ( -1.359 -2.667 -0.273) 3.005 3.277 ( 3.641 -1.987 0.694) 4.205 3.357 ( 0.066 -5.509 -2.206) 5.935 3.585 ( 1.052 0.048 0.154) 1.065 3.677 ( 0.245 -1.150 0.921) 1.494 3.703 ( 0.173 -4.858 0.382) 4.876 3.835 ( -1.220 5.612 1.383) 5.907 3.848 ( 0.646 -2.331 2.068) 3.182 4.022 ( 10.696 5.653 1.767) 12.226 4.088 ( -2.002 -3.557 -1.822) 4.470 4.135 ( -1.186 7.246 0.214) 7.346 4.259 ( 2.981 0.637 3.048) 4.311 4.279 ( -2.821 -0.338 -3.390) 4.423 4.331 ( 7.256 -4.133 -5.390) 9.939 4.385 ( 1.712 -1.676 2.400) 3.391 4.507 ( 2.191 5.842 1.584) 6.438 4.546 ( -7.484 -3.438 -2.152) 8.512 4.649 ( 1.945 -4.031 2.105) 4.946 4.723 ( 2.745 0.753 0.397) 2.874 4.787 ( -1.537 -0.424 1.217) 2.006 4.885 ( -1.731 -2.142 0.202) 2.762 4.921 ( 3.312 5.404 -3.515) 7.248 4.972 ( 1.682 4.102 -3.613) 5.720 5.075 ( -0.183 3.693 -1.815) 4.118 5.270 ( -1.618 3.686 -1.226) 4.208 5.299 ( 1.536 1.858 -1.240) 2.711 5.369 ( 1.606 -0.265 -3.743) 4.081 5.436 ( -3.611 4.163 6.644) 8.632 5.495 ( -1.002 1.292 2.648) 3.112 5.572 ( 1.551 -4.364 4.307) 6.325 5.619 ( -0.810 6.016 2.814) 6.691 5.657 ( 3.250 2.086 -0.285) 3.873 5.819 ( 9.625 -1.742 -2.581) 10.116 5.901 ( -3.714 2.432 -2.843) 5.272 5.968 ( -0.549 -1.591 0.140) 1.689 6.080 ( -1.402 1.885 2.502) 3.432 6.170 ( -1.985 1.819 1.606) 3.135 6.196 ( 2.777 1.236 2.052) 3.667 6.251 ( 0.916 0.123 0.473) 1.038 6.345 ( 0.115 -0.141 2.313) 2.321 6.380 ( -1.523 -3.485 -0.412) 3.825 6.440 ( 2.657 2.870 -2.178) 4.476 6.525 ( 1.386 -4.183 -2.302) 4.972 6.540 ( 1.680 -5.100 -2.360) 5.866 6.680 ( 1.276 -2.007 -0.850) 2.525 6.778 ( 0.938 3.209 -6.474) 7.286 6.834 ( -0.849 -0.066 -2.863) 2.987 6.986 ( 0.408 2.434 2.746) 3.692 7.022 ( 0.731 -1.964 -2.533) 3.287 7.108 ( 2.477 4.531 -1.895) 5.501 7.123 ( -1.718 -1.189 -4.065) 4.570 7.165 ( -2.181 0.421 -2.879) 3.636 7.234 ( -5.061 2.932 2.895) 6.526 7.280 ( -1.778 -0.913 4.452) 4.880 7.437 ( 0.897 -6.148 -1.291) 6.345 7.574 ( 0.729 2.545 2.013) 3.326 7.684 ( 1.228 3.962 3.566) 5.470 7.800 ( 0.323 -0.407 4.979) 5.006 8.061 ( 1.846 3.127 -7.146) 8.016 8.099 ( 0.339 1.765 -0.141) 1.803 8.161 ( 5.972 5.580 -0.825) 8.214 8.203 ( -0.013 3.139 -0.849) 3.252 8.294 ( -1.099 0.152 2.186) 2.451 8.448 ( 1.187 -1.715 1.198) 2.406 8.457 ( -2.266 -0.222 1.985) 3.021 8.550 ( -0.303 3.298 0.207) 3.318 8.593 ( 1.666 1.456 -0.855) 2.372 8.770 ( 1.568 -1.964 2.847) 3.798 8.861 ( 0.330 1.710 0.838) 1.932 9.074 ( 0.714 -6.512 -1.526) 6.726 9.116 ( 0.996 -1.420 -4.825) 5.127 9.242 ( 2.061 -3.095 1.215) 3.912 9.260 ( -1.609 -8.670 1.729) 8.986 9.542 ( 0.897 0.025 -0.269) 0.937 9.629 ( 0.134 -3.455 -0.149) 3.460 9.732 ( 1.221 2.549 2.678) 3.894 9.804 ( 3.952 -0.127 -0.925) 4.061 10.068 ( 6.170 0.109 -3.117) 6.913 10.161 ( 7.579 -3.041 -6.343) 10.340 10.452 ( -3.901 -3.145 1.822) 5.332 10.522 ( -7.851 -6.149 4.133) 10.795 16.642 ( 1.886 1.904 0.250) 2.692 16.660 ( 2.218 1.077 -0.191) 2.473 16.761 ( -2.382 1.548 0.543) 2.892 16.803 ( -0.991 -0.720 -0.908) 1.525 17.427 ( 0.166 1.533 0.404) 1.594 17.478 ( -0.338 1.206 -0.111) 1.257 17.635 ( 1.632 -7.792 0.016) 7.961 17.670 ( -1.475 -7.896 1.105) 8.108 17.973 ( -2.430 0.175 0.401) 2.469 17.991 ( -2.143 -0.844 -0.568) 2.372 18.057 ( -2.491 -0.634 0.128) 2.573 18.083 ( -1.821 -1.775 -0.222) 2.552 18.413 ( -1.860 5.726 0.268) 6.026 18.455 ( 1.175 4.210 -2.916) 5.254 18.596 ( -4.229 2.491 2.732) 5.618 18.625 ( -2.111 1.336 0.524) 2.553 21.415 ( 0.789 0.884 -0.154) 1.195 21.424 ( -0.055 0.748 0.289) 0.803 21.467 ( 0.047 -1.260 0.169) 1.273 21.478 ( -0.452 -1.490 0.352) 1.596 21.829 ( 0.428 0.310 -0.094) 0.537 21.836 ( 0.455 0.027 -0.237) 0.514 21.847 ( -0.514 0.118 -0.100) 0.536 21.854 ( -0.514 -0.141 -0.245) 0.587 26.804 ( -0.091 1.639 0.058) 1.642 26.824 ( 0.055 1.675 -0.350) 1.712 26.888 ( 0.132 -2.461 0.191) 2.472 26.902 ( 0.034 -2.220 -0.026) 2.220 27.320 ( 0.764 0.363 0.403) 0.937 27.326 ( 0.826 0.070 0.246) 0.864 27.361 ( 0.247 0.903 0.104) 0.943 27.383 ( 0.439 0.125 -0.130) 0.475 35.066 ( -2.339 6.367 1.836) 7.027 35.259 ( -1.773 -2.858 -1.006) 3.510 35.679 ( 1.243 6.453 -1.292) 6.697 35.901 ( 1.942 -3.490 -4.049) 5.687 36.337 ( -1.593 7.102 2.350) 7.648 36.591 ( -2.734 9.623 -2.647) 10.348 36.697 ( 0.869 -8.131 3.188) 8.777 36.975 ( -3.494 -6.758 -0.725) 7.642 38.138 ( -1.281 6.769 1.399) 7.030 38.220 ( 1.453 1.111 -1.907) 2.642 38.404 ( -0.247 -8.158 -0.394) 8.171 38.530 ( -1.312 -11.878 -1.374) 12.029 39.656 ( 8.472 7.785 2.315) 11.737 39.896 ( 8.062 -1.153 1.742) 8.328 40.129 ( 4.874 6.327 0.504) 8.002 40.464 ( -3.948 -8.213 2.305) 9.400 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 3.967 4.825 2.817) 6.852 1.732 ( 0.958 -1.623 1.391) 2.342 1.952 ( -1.976 -0.178 -0.648) 2.087 2.103 ( -0.881 0.453 2.388) 2.586 2.199 ( 1.570 9.704 5.635) 11.330 2.304 ( -2.076 3.251 0.669) 3.915 2.426 ( -2.302 0.047 -2.503) 3.401 2.468 ( -1.566 1.065 -2.301) 2.980 2.591 ( 1.502 2.694 0.880) 3.207 2.608 ( -1.294 3.879 -3.844) 5.613 2.821 ( -2.066 3.845 1.079) 4.496 2.968 ( 3.794 -1.323 -1.007) 4.142 3.017 ( -7.102 0.425 5.858) 9.216 3.064 ( -2.736 -2.138 -0.529) 3.513 3.174 ( 0.291 -5.459 -0.463) 5.486 3.291 ( 1.492 -6.688 3.882) 7.876 3.359 ( 1.491 -1.811 4.029) 4.662 3.433 ( 5.809 -5.794 1.127) 8.282 3.564 ( -2.366 -4.274 -2.419) 5.451 3.626 ( -3.514 -6.203 -3.159) 7.797 3.691 ( -0.913 4.496 2.613) 5.280 3.867 ( -1.867 0.566 3.438) 3.953 3.888 ( 1.064 1.806 2.012) 2.905 4.028 ( -5.644 1.000 1.681) 5.974 4.086 ( -4.750 5.073 3.035) 7.583 4.126 ( -0.570 4.863 -1.906) 5.254 4.230 ( 1.267 -2.642 -4.121) 5.057 4.252 ( -1.322 5.898 -3.486) 6.978 4.342 ( 2.391 -2.088 -3.697) 4.873 4.400 ( -5.414 0.109 -1.609) 5.649 4.487 ( 2.256 -3.239 5.506) 6.775 4.544 ( 1.446 1.132 0.133) 1.841 4.646 ( -3.430 -7.472 -0.803) 8.261 4.772 ( 1.899 2.182 1.030) 3.071 4.802 ( 1.057 0.869 2.804) 3.120 4.860 ( 1.906 -1.154 -3.007) 3.743 4.923 ( -0.555 6.097 -1.425) 6.286 4.981 ( 1.962 0.758 -2.343) 3.149 5.037 ( -2.932 1.517 1.569) 3.656 5.266 ( 1.298 1.173 -1.588) 2.363 5.303 ( -1.412 -0.489 -3.414) 3.727 5.329 ( 0.547 3.135 -3.007) 4.379 5.353 ( -6.335 3.277 1.675) 7.327 5.491 ( -3.363 4.137 2.961) 6.099 5.638 ( -0.522 -3.990 3.625) 5.416 5.669 ( 1.186 3.453 3.951) 5.379 5.748 ( 2.051 -0.286 3.850) 4.372 5.785 ( -6.093 -0.417 0.787) 6.158 5.908 ( 6.423 1.771 -3.312) 7.441 5.954 ( -0.194 -2.876 -1.814) 3.406 6.046 ( -7.418 3.872 2.049) 8.615 6.172 ( -1.340 -1.660 -2.719) 3.456 6.209 ( 2.026 1.442 2.544) 3.558 6.284 ( 2.214 -1.847 -0.908) 3.023 6.350 ( -1.964 -0.994 1.397) 2.607 6.369 ( -1.496 0.924 2.611) 3.147 6.475 ( -0.572 -2.629 -0.106) 2.692 6.512 ( 0.575 -1.707 -1.473) 2.326 6.561 ( 4.188 0.091 -0.481) 4.216 6.690 ( 2.002 3.000 -8.876) 9.581 6.744 ( 2.846 0.627 -0.891) 3.047 6.857 ( 4.220 -2.509 2.485) 5.503 6.960 ( -1.811 2.813 -4.087) 5.281 7.020 ( -1.860 1.337 -1.907) 2.980 7.054 ( -1.137 -1.970 -4.381) 4.936 7.091 ( 3.896 3.229 -3.647) 6.238 7.107 ( -1.959 -2.088 -1.525) 3.244 7.217 ( -1.696 2.726 3.759) 4.943 7.314 ( -0.188 -0.901 3.373) 3.497 7.389 ( -2.741 -8.265 -3.449) 9.366 7.616 ( -0.789 5.870 4.630) 7.517 7.750 ( -1.081 5.794 7.555) 9.582 7.831 ( -0.448 2.159 1.616) 2.734 7.999 ( -1.259 8.121 -4.738) 9.486 8.082 ( -2.041 6.015 -2.695) 6.900 8.147 ( -0.698 2.737 -4.692) 5.477 8.261 ( 3.570 -0.363 2.491) 4.368 8.294 ( -1.995 -1.451 4.047) 4.739 8.430 ( -2.637 -3.802 -1.670) 4.919 8.449 ( -2.191 -1.156 3.020) 3.906 8.522 ( -2.329 -0.690 -0.933) 2.602 8.626 ( 1.877 4.901 2.650) 5.879 8.795 ( -0.271 -2.390 -1.457) 2.812 8.873 ( -0.844 3.369 1.612) 3.829 9.006 ( -2.218 -8.093 -6.695) 10.735 9.109 ( -0.259 1.551 1.062) 1.897 9.234 ( -1.731 -7.621 -0.977) 7.876 9.282 ( 0.098 -4.642 2.604) 5.324 9.539 ( -1.421 -0.719 -0.156) 1.601 9.614 ( -2.393 -3.896 1.906) 4.953 9.735 ( -3.477 0.494 0.880) 3.621 9.845 ( -0.197 -4.321 1.124) 4.470 10.095 ( 0.434 1.078 -4.077) 4.240 10.152 ( -0.476 -2.201 -7.388) 7.724 10.448 ( -3.507 -2.013 3.075) 5.080 10.486 ( 5.462 -3.592 3.015) 7.199 16.636 ( -2.599 2.121 0.058) 3.355 16.665 ( -1.860 0.474 -0.010) 1.920 16.755 ( 1.774 2.219 0.271) 2.854 16.811 ( 2.596 -0.848 -0.576) 2.791 17.443 ( 0.720 1.911 0.916) 2.238 17.468 ( -0.245 0.621 -0.475) 0.819 17.655 ( -1.022 -7.485 0.163) 7.556 17.679 ( 2.396 -7.572 1.625) 8.106 17.951 ( -0.058 -0.146 -0.299) 0.338 17.974 ( 0.817 -0.993 -0.690) 1.459 18.050 ( 1.811 -0.931 0.004) 2.036 18.069 ( 0.861 -1.315 -0.653) 1.702 18.410 ( 1.162 5.900 -0.008) 6.013 18.478 ( 4.667 3.230 -2.441) 6.178 18.592 ( 0.344 3.264 2.799) 4.314 18.646 ( 3.372 0.995 1.075) 3.677 21.415 ( -0.840 1.019 -0.048) 1.322 21.430 ( 0.737 0.938 0.271) 1.224 21.474 ( -0.122 -1.625 0.293) 1.655 21.477 ( 0.226 -1.637 0.411) 1.703 21.831 ( -0.187 0.314 -0.045) 0.368 21.839 ( 0.120 -0.097 -0.227) 0.274 21.841 ( -0.171 0.187 -0.080) 0.265 21.846 ( 0.255 0.010 -0.544) 0.601 26.801 ( -0.382 1.619 -0.023) 1.663 26.822 ( 0.309 1.567 -0.372) 1.640 26.891 ( -0.314 -2.534 0.244) 2.565 26.905 ( 0.361 -2.263 0.031) 2.292 27.326 ( -0.857 0.571 0.487) 1.139 27.333 ( -0.628 0.110 0.535) 0.832 27.360 ( -0.325 0.706 0.097) 0.783 27.379 ( -0.515 0.008 -0.330) 0.612 35.083 ( 1.392 5.803 2.600) 6.510 35.248 ( 2.140 -1.406 -1.720) 3.084 35.697 ( 1.805 4.989 -0.190) 5.309 35.877 ( 1.227 -2.910 -5.363) 6.224 36.342 ( -1.679 6.501 2.868) 7.301 36.507 ( -1.519 5.620 -2.757) 6.441 36.765 ( -0.162 -4.201 3.041) 5.189 36.953 ( 3.888 -5.804 -1.574) 7.162 38.112 ( -2.393 6.098 0.400) 6.563 38.248 ( 3.459 0.738 -0.791) 3.625 38.410 ( 0.126 -7.664 -0.023) 7.665 38.476 ( -1.385 -10.547 -2.534) 10.935 39.773 ( -2.581 7.111 5.747) 9.501 39.917 ( -4.728 5.474 -0.244) 7.237 40.200 ( -5.580 -3.490 4.422) 7.929 40.360 ( -2.199 -5.599 -1.128) 6.120 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -7.508 6.280 -5.387) 11.173 1.675 ( -6.821 12.286 1.544) 14.137 1.819 ( -3.687 -3.628 -7.588) 9.183 2.165 ( -0.502 7.600 3.650) 8.446 2.266 ( -1.191 -1.811 2.314) 3.171 2.331 ( 1.041 2.149 0.828) 2.527 2.407 ( -1.426 0.925 -0.244) 1.718 2.474 ( 9.030 1.953 4.317) 10.197 2.572 ( -0.799 5.679 2.173) 6.133 2.680 ( 5.158 3.875 2.339) 6.862 2.737 ( -4.427 -7.637 -2.034) 9.059 2.870 ( -8.250 -0.294 2.326) 8.577 3.054 ( -1.344 -3.817 1.136) 4.203 3.104 ( 0.537 1.072 1.135) 1.651 3.156 ( -0.729 -3.395 0.768) 3.556 3.283 ( -5.206 -6.235 0.341) 8.130 3.408 ( -7.361 -2.791 -0.277) 7.877 3.413 ( -0.447 -3.608 4.752) 5.983 3.506 ( -3.486 -2.654 0.209) 4.386 3.549 ( -7.471 -3.736 0.185) 8.355 3.710 ( -3.731 2.172 2.488) 4.983 3.823 ( -4.919 6.910 2.122) 8.743 3.882 ( -0.710 1.480 -0.229) 1.658 3.936 ( -3.424 0.553 -2.968) 4.565 4.004 ( -7.793 3.566 2.062) 8.815 4.102 ( 0.321 -1.410 -0.942) 1.726 4.189 ( -2.101 6.065 0.432) 6.433 4.240 ( 2.272 3.231 -2.401) 4.622 4.307 ( 1.999 0.609 -1.282) 2.451 4.369 ( -0.247 2.583 0.083) 2.597 4.540 ( -0.899 -2.701 -3.384) 4.422 4.567 ( 1.469 -3.025 -0.787) 3.454 4.602 ( 1.257 -5.308 3.238) 6.344 4.766 ( -4.908 -0.808 1.072) 5.088 4.820 ( 0.293 2.162 -0.811) 2.328 4.885 ( 3.753 1.164 -2.727) 4.783 4.907 ( -1.948 2.604 -0.881) 3.369 4.974 ( 1.585 0.899 3.728) 4.149 5.065 ( -1.027 -1.235 6.070) 6.279 5.199 ( -2.786 3.864 -0.454) 4.786 5.247 ( 1.091 -5.962 -5.602) 8.254 5.303 ( 1.074 1.642 -3.709) 4.196 5.352 ( 1.233 5.602 -3.636) 6.791 5.431 ( -6.665 -1.799 2.717) 7.419 5.605 ( -4.717 1.407 0.622) 4.961 5.709 ( -4.257 -2.444 2.252) 5.400 5.735 ( -0.460 -1.405 4.125) 4.382 5.763 ( -3.118 0.290 2.635) 4.092 5.901 ( -4.706 2.907 -0.638) 5.568 5.937 ( -3.099 1.315 -2.109) 3.973 6.003 ( 1.761 -0.067 1.442) 2.277 6.128 ( 0.195 -0.090 -0.950) 0.974 6.242 ( 1.732 3.628 -2.127) 4.548 6.284 ( -1.347 -3.217 1.699) 3.880 6.340 ( -3.757 -1.346 -0.341) 4.005 6.373 ( 1.276 -1.272 1.237) 2.186 6.427 ( -2.443 -5.022 -1.637) 5.820 6.486 ( -1.153 -5.332 -0.156) 5.458 6.636 ( 3.912 6.253 -4.302) 8.539 6.668 ( 2.423 5.256 -0.031) 5.788 6.761 ( 0.403 1.444 -3.082) 3.427 6.847 ( -0.734 3.896 -4.593) 6.067 6.947 ( 1.655 1.072 -0.719) 2.099 6.956 ( -3.561 0.035 -6.777) 7.656 7.047 ( 1.211 -3.672 6.053) 7.183 7.051 ( -0.880 -2.325 -0.644) 2.568 7.140 ( 4.394 1.189 -3.297) 5.621 7.238 ( -3.017 1.639 4.179) 5.409 7.313 ( 3.346 -4.314 -3.700) 6.595 7.355 ( 0.650 -4.922 0.607) 5.001 7.618 ( -3.204 8.160 2.406) 9.091 7.779 ( -3.547 2.742 4.507) 6.357 7.829 ( -3.424 8.176 0.371) 8.872 7.910 ( -5.207 5.817 0.667) 7.835 8.008 ( 0.316 5.791 -1.608) 6.019 8.128 ( -0.528 1.226 -1.315) 1.874 8.283 ( -3.389 -5.003 -0.562) 6.069 8.318 ( -1.660 0.009 0.627) 1.774 8.354 ( -1.707 0.687 2.458) 3.070 8.466 ( -0.489 -2.208 4.953) 5.445 8.485 ( -0.466 -0.704 -0.591) 1.030 8.691 ( 2.276 3.988 1.446) 4.814 8.740 ( -1.333 -4.398 -5.307) 7.020 8.856 ( -1.216 2.885 -1.519) 3.480 8.897 ( -4.936 -1.178 -1.528) 5.299 9.103 ( -2.449 2.805 1.500) 4.014 9.183 ( -2.839 -7.069 -1.120) 7.700 9.296 ( -2.273 -4.974 2.734) 6.114 9.490 ( -3.042 -1.864 -1.662) 3.936 9.579 ( -4.930 -4.951 1.678) 7.185 9.642 ( -7.940 -0.417 1.128) 8.031 9.806 ( -5.755 -8.161 1.123) 10.049 10.009 ( -3.296 0.396 -4.732) 5.780 10.042 ( -2.431 -2.204 -5.829) 6.689 10.457 ( -0.344 3.355 2.549) 4.227 10.660 ( 8.708 -6.404 4.139) 11.575 16.583 ( -3.232 1.950 -0.010) 3.775 16.621 ( -2.822 0.027 0.131) 2.826 16.802 ( 2.675 2.156 0.395) 3.458 16.853 ( 2.660 -0.746 -0.652) 2.838 17.444 ( -0.704 0.440 -0.477) 0.957 17.489 ( 2.093 2.059 1.414) 3.258 17.638 ( -0.363 -6.304 -1.067) 6.404 17.743 ( 2.506 -6.845 2.165) 7.604 17.964 ( 1.882 -0.492 -0.403) 1.986 17.995 ( 1.623 -1.575 0.172) 2.269 18.100 ( 4.562 0.129 -0.651) 4.610 18.117 ( 4.835 -0.844 0.360) 4.921 18.446 ( 3.364 6.219 -0.642) 7.099 18.552 ( 6.971 1.271 -2.283) 7.444 18.671 ( 5.807 4.428 2.033) 7.580 18.753 ( 7.744 0.507 0.911) 7.814 21.399 ( -0.868 1.049 -0.142) 1.369 21.447 ( 0.567 0.498 0.767) 1.076 21.469 ( -0.418 -2.102 -0.403) 2.181 21.487 ( 0.275 -1.036 0.385) 1.139 21.826 ( -0.345 0.239 0.145) 0.444 21.834 ( -0.290 0.054 -0.320) 0.436 21.838 ( 0.067 0.098 -0.232) 0.261 21.850 ( 0.576 -0.032 -0.403) 0.703 26.792 ( -0.520 1.503 -0.025) 1.591 26.828 ( 0.610 1.551 -0.114) 1.670 26.883 ( -0.657 -2.585 -0.022) 2.667 26.912 ( 0.389 -2.149 -0.013) 2.184 27.300 ( -2.291 0.764 0.104) 2.418 27.312 ( -2.238 0.209 0.111) 2.251 27.353 ( -0.880 0.615 0.257) 1.104 27.366 ( -0.799 0.026 -0.005) 0.800 35.164 ( 4.396 5.064 3.076) 7.378 35.295 ( 6.127 0.330 -2.320) 6.559 35.732 ( 2.112 2.839 0.178) 3.543 35.830 ( 0.679 -1.256 -6.028) 6.195 36.331 ( -1.959 6.122 1.631) 6.631 36.504 ( 1.417 3.565 1.383) 4.078 36.746 ( -0.777 1.610 -2.660) 3.205 37.064 ( 7.526 -7.981 1.726) 11.105 38.088 ( -0.764 4.631 1.032) 4.805 38.313 ( 4.327 -1.148 0.196) 4.481 38.365 ( -1.880 -6.098 -3.212) 7.144 38.475 ( 0.792 -8.917 1.149) 9.026 39.586 ( -18.707 4.632 -1.570) 19.336 39.792 ( -17.545 -3.627 -1.191) 17.955 40.015 ( -7.117 10.212 0.921) 12.481 40.454 ( 1.354 -9.615 9.426) 13.533 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -13.596 17.002 -3.943) 22.124 1.518 ( -10.059 14.365 -1.436) 17.595 1.709 ( -5.166 -4.345 -1.589) 6.935 2.139 ( -4.988 1.155 1.681) 5.388 2.195 ( -8.288 -1.137 -0.824) 8.406 2.318 ( -2.225 2.604 -1.999) 3.966 2.411 ( -3.848 1.115 0.117) 4.008 2.575 ( -4.288 -3.838 -2.351) 6.216 2.600 ( 3.612 7.609 0.961) 8.477 2.689 ( 4.294 1.542 -0.794) 4.631 2.766 ( -0.051 2.158 0.174) 2.166 2.838 ( -8.847 -1.387 -0.636) 8.977 2.930 ( 3.035 -2.882 3.139) 5.232 3.077 ( -4.568 -9.014 -1.168) 10.172 3.113 ( -12.033 2.848 4.153) 13.044 3.199 ( -4.514 1.251 3.401) 5.789 3.300 ( -15.379 -2.876 3.318) 15.994 3.349 ( -4.000 -1.165 4.809) 6.362 3.388 ( -7.447 -4.305 2.526) 8.965 3.496 ( 0.603 2.690 0.440) 2.792 3.641 ( -5.108 3.998 3.448) 7.346 3.725 ( -4.747 0.876 -3.597) 6.020 3.859 ( -1.763 2.319 0.846) 3.033 3.901 ( -3.234 -1.879 -0.803) 3.825 3.956 ( 5.031 -2.251 -5.108) 7.515 4.075 ( -1.244 -2.135 -2.765) 3.708 4.207 ( 1.145 1.902 -0.260) 2.235 4.253 ( 4.964 6.741 -0.796) 8.409 4.352 ( 0.833 3.272 -0.401) 3.400 4.406 ( 2.752 2.634 1.926) 4.269 4.472 ( -0.815 -1.183 -2.732) 3.087 4.577 ( -2.157 -1.294 3.182) 4.056 4.675 ( 3.790 -2.273 -0.354) 4.434 4.688 ( -2.795 -1.758 0.253) 3.312 4.824 ( 1.924 -2.263 -1.004) 3.136 4.878 ( 0.164 2.619 1.518) 3.031 4.920 ( 3.738 -1.682 -4.578) 6.144 5.040 ( -3.375 0.200 0.266) 3.391 5.079 ( -1.036 -0.324 4.132) 4.272 5.137 ( -6.749 -1.437 -1.688) 7.104 5.196 ( 0.229 -5.462 -3.906) 6.719 5.277 ( 0.217 3.651 -1.872) 4.109 5.337 ( -1.889 -3.475 -1.316) 4.168 5.380 ( 4.662 2.698 1.373) 5.559 5.534 ( -3.260 2.062 -0.605) 3.905 5.685 ( -1.819 2.956 5.356) 6.383 5.708 ( -1.213 -1.244 0.178) 1.746 5.770 ( -6.953 2.647 4.498) 8.694 5.833 ( -1.229 -0.137 -1.391) 1.862 5.889 ( -1.197 2.745 1.154) 3.209 5.989 ( -3.536 1.052 1.678) 4.053 6.106 ( -3.109 -2.309 -0.655) 3.928 6.175 ( -7.633 -0.695 -3.484) 8.420 6.215 ( -2.472 -4.940 -5.592) 7.861 6.327 ( -0.301 -1.092 2.100) 2.386 6.399 ( 2.022 -1.452 -0.266) 2.503 6.444 ( 5.564 1.875 3.900) 7.049 6.503 ( 1.275 1.170 -0.783) 1.900 6.634 ( 1.967 4.062 -3.007) 5.423 6.666 ( 0.704 -2.938 -6.330) 7.014 6.726 ( 0.859 -0.902 -0.620) 1.392 6.817 ( -4.755 0.973 -2.575) 5.495 6.853 ( 0.066 6.172 3.032) 6.877 6.974 ( 2.849 2.235 -1.455) 3.902 7.033 ( -0.447 -1.146 -1.195) 1.715 7.107 ( -0.975 -3.345 2.416) 4.240 7.178 ( 2.444 1.090 0.724) 2.772 7.216 ( -1.933 -0.338 3.358) 3.889 7.352 ( -1.107 -0.500 -1.889) 2.246 7.394 ( 7.753 -2.883 -3.725) 9.071 7.598 ( -1.515 6.174 -0.039) 6.358 7.711 ( -3.737 3.770 1.408) 5.492 7.743 ( -7.897 4.973 2.617) 9.693 7.895 ( 0.164 -2.765 0.678) 2.851 8.009 ( -1.675 2.764 0.588) 3.285 8.077 ( -4.933 1.941 2.069) 5.691 8.190 ( -1.810 0.473 -4.057) 4.467 8.259 ( -4.535 -1.100 0.710) 4.720 8.409 ( 0.292 3.130 5.092) 5.984 8.504 ( 2.542 -1.353 1.362) 3.185 8.536 ( 2.212 0.481 3.637) 4.284 8.666 ( 1.659 -4.021 -7.425) 8.606 8.673 ( -3.876 5.041 -5.524) 8.423 8.804 ( -2.005 -2.379 -0.631) 3.175 8.833 ( -3.631 5.508 2.615) 7.096 9.055 ( -3.837 4.803 0.024) 6.148 9.126 ( -4.490 -7.354 2.230) 8.900 9.240 ( -7.940 -3.282 2.289) 8.891 9.381 ( -4.137 -2.642 -8.166) 9.528 9.478 ( -8.555 -5.575 2.518) 10.517 9.552 ( -4.915 -3.389 4.016) 7.196 9.715 ( -9.110 -11.192 7.757) 16.384 9.913 ( -0.042 1.360 -7.909) 8.025 9.968 ( -0.607 -2.005 -3.611) 4.175 10.458 ( -1.508 7.367 0.167) 7.521 10.822 ( 4.699 -11.028 3.523) 12.495 16.535 ( -2.416 1.830 0.133) 3.034 16.583 ( -1.769 -0.369 0.199) 1.818 16.839 ( 1.124 1.422 0.191) 1.823 16.881 ( 1.635 -0.815 -0.882) 2.028 17.426 ( -0.726 -0.075 -0.328) 0.801 17.551 ( 2.270 -1.422 2.185) 3.457 17.625 ( 1.909 -1.527 -3.026) 3.890 17.797 ( 1.696 -5.901 0.753) 6.185 17.994 ( 1.574 -0.232 0.170) 1.600 18.031 ( 0.973 -1.701 2.897) 3.498 18.192 ( 6.096 0.965 -0.391) 6.184 18.209 ( 5.159 -0.068 0.201) 5.164 18.512 ( 5.604 7.083 -0.778) 9.065 18.661 ( 8.436 -0.497 -1.563) 8.594 18.817 ( 9.019 4.821 0.761) 10.255 18.908 ( 9.291 0.344 0.242) 9.301 21.384 ( -0.638 0.903 -0.151) 1.115 21.444 ( -1.598 -2.599 -0.487) 3.090 21.467 ( 0.794 0.678 0.160) 1.056 21.494 ( 0.207 -0.671 0.258) 0.748 21.823 ( -0.309 0.277 0.091) 0.425 21.825 ( -0.158 0.186 -0.433) 0.497 21.837 ( -0.083 0.088 0.150) 0.193 21.856 ( 0.466 -0.347 0.002) 0.581 26.785 ( -0.421 1.440 0.168) 1.510 26.839 ( 0.726 1.681 0.059) 1.832 26.871 ( -0.584 -2.635 -0.096) 2.701 26.918 ( 0.440 -1.912 -0.136) 1.967 27.260 ( -2.412 0.734 0.140) 2.526 27.269 ( -2.549 0.253 -0.080) 2.562 27.334 ( -1.433 0.882 0.023) 1.683 27.350 ( -1.142 0.137 -0.013) 1.150 35.291 ( 6.360 4.188 3.535) 8.395 35.405 ( 9.509 0.555 -2.000) 9.733 35.742 ( 1.023 2.440 -5.385) 6.000 35.799 ( 1.827 0.053 -1.264) 2.222 36.333 ( 0.354 6.175 1.780) 6.436 36.547 ( -0.066 -2.501 2.935) 3.856 36.718 ( 2.172 11.720 -3.289) 12.366 37.205 ( 5.731 -10.436 2.652) 12.198 38.123 ( 3.073 2.842 2.406) 4.828 38.314 ( -0.678 -4.830 -1.009) 4.981 38.388 ( 4.502 -2.110 -1.563) 5.212 38.492 ( -0.777 -7.578 1.560) 7.776 39.207 ( -22.131 2.995 -2.588) 22.482 39.353 ( -25.876 -4.215 -5.271) 26.742 39.964 ( -3.900 14.774 1.820) 15.388 40.526 ( -5.113 -14.843 7.682) 17.478 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -13.417 19.342 3.146) 23.749 1.277 ( -20.522 17.782 6.094) 27.830 1.598 ( -8.542 -7.524 3.745) 11.983 2.044 ( -4.294 -15.451 -1.602) 16.117 2.093 ( -11.811 16.560 8.462) 22.030 2.134 ( -2.847 6.030 -9.519) 11.622 2.225 ( -9.196 4.350 -3.335) 10.706 2.528 ( -2.661 9.749 -6.877) 12.224 2.638 ( 4.629 1.615 -3.558) 6.058 2.685 ( 1.824 2.661 -3.279) 4.600 2.740 ( 0.433 -0.760 -2.723) 2.860 2.807 ( -1.320 5.355 5.106) 7.516 2.888 ( -7.727 -4.656 -0.855) 9.061 2.984 ( -4.450 -4.791 0.593) 6.566 3.054 ( 1.603 -9.895 0.763) 10.053 3.137 ( -7.802 2.532 3.453) 8.900 3.220 ( -8.056 -1.757 0.428) 8.256 3.254 ( -1.945 -0.200 2.261) 2.989 3.306 ( -5.240 4.194 -2.742) 7.250 3.497 ( -0.191 0.850 1.487) 1.723 3.620 ( -0.955 1.383 -0.795) 1.859 3.667 ( -1.854 -5.922 1.175) 6.316 3.841 ( -1.763 -1.441 2.862) 3.657 3.876 ( 0.894 1.117 -1.217) 1.878 3.922 ( -0.833 -5.271 -5.483) 7.651 4.036 ( -0.213 -0.259 -0.302) 0.451 4.197 ( 2.300 4.606 -4.266) 6.686 4.358 ( 4.882 0.504 -2.691) 5.597 4.383 ( -1.084 2.106 -0.723) 2.477 4.393 ( 4.164 1.327 0.038) 4.370 4.482 ( -2.133 1.293 1.609) 2.968 4.559 ( -2.251 2.920 4.366) 5.714 4.701 ( 4.409 -1.124 -2.938) 5.416 4.730 ( 2.186 -3.721 -0.871) 4.403 4.826 ( -2.935 -0.942 -1.586) 3.466 4.881 ( -1.114 -2.810 -2.635) 4.010 4.911 ( -0.436 -1.456 -0.023) 1.521 4.968 ( 2.999 -3.112 -0.035) 4.321 5.000 ( -4.375 -1.018 -2.840) 5.315 5.103 ( 2.011 2.974 -3.705) 5.159 5.175 ( -0.362 -2.381 0.134) 2.412 5.295 ( 2.352 2.761 -2.650) 4.492 5.326 ( 1.151 2.310 3.471) 4.325 5.473 ( -2.992 -0.274 0.859) 3.125 5.555 ( 6.855 3.495 5.275) 9.329 5.657 ( -4.174 3.463 -3.311) 6.354 5.709 ( -2.346 1.182 3.396) 4.293 5.744 ( -0.909 3.855 6.414) 7.538 5.796 ( -3.569 -0.786 -1.650) 4.009 5.850 ( -4.193 0.621 2.286) 4.816 5.952 ( -3.122 -1.686 3.091) 4.706 6.007 ( -5.085 -1.036 -2.297) 5.675 6.065 ( -1.471 -3.515 1.384) 4.054 6.159 ( -0.229 -5.337 -0.987) 5.432 6.328 ( -1.147 2.073 3.147) 3.939 6.466 ( 3.953 -2.386 -0.783) 4.683 6.485 ( 0.816 5.731 -3.862) 6.959 6.564 ( 2.578 -0.270 -1.729) 3.116 6.625 ( 3.324 2.837 1.605) 4.655 6.683 ( 2.571 -1.114 0.382) 2.828 6.737 ( -2.421 -0.006 1.056) 2.641 6.776 ( 4.657 -3.369 -1.390) 5.913 6.874 ( -1.343 2.754 0.759) 3.156 6.976 ( 2.591 0.088 -4.977) 5.612 7.052 ( 0.383 0.992 5.448) 5.551 7.125 ( 1.801 0.142 2.395) 2.999 7.201 ( 0.177 2.096 -1.100) 2.373 7.233 ( -1.137 4.991 -2.391) 5.650 7.311 ( -1.953 0.724 4.346) 4.819 7.443 ( -4.668 -1.197 1.061) 4.935 7.525 ( 0.622 -4.770 1.304) 4.984 7.577 ( -9.582 -1.402 -1.654) 9.824 7.804 ( 5.765 2.524 0.020) 6.294 7.883 ( 1.714 -1.159 -4.095) 4.588 7.975 ( -1.632 4.318 1.577) 4.878 8.052 ( 1.557 -0.480 -1.010) 1.917 8.147 ( -2.780 2.439 0.834) 3.791 8.196 ( -2.780 0.684 -0.047) 2.863 8.392 ( -9.634 -0.209 -0.756) 9.666 8.518 ( -5.095 -0.885 -2.253) 5.641 8.543 ( -0.448 2.994 0.480) 3.065 8.589 ( 1.387 3.877 3.061) 5.131 8.700 ( 9.854 0.235 -5.038) 11.070 8.765 ( -0.756 -3.104 -0.833) 3.301 8.822 ( 0.047 4.799 0.721) 4.853 8.990 ( -4.167 3.615 -0.120) 5.518 9.064 ( -7.948 -4.363 6.089) 10.922 9.132 ( -7.326 0.719 3.120) 7.995 9.216 ( -3.984 -2.403 -6.007) 7.598 9.370 ( -8.390 -6.730 4.532) 11.672 9.550 ( -0.913 -4.536 3.262) 5.661 9.690 ( -7.129 -12.649 13.222) 19.638 9.831 ( 2.230 3.442 -10.941) 11.685 9.932 ( 0.934 -2.405 -3.912) 4.686 10.411 ( -1.387 9.385 -4.161) 10.359 10.871 ( -0.527 -14.478 -1.130) 14.531 16.504 ( -1.358 1.697 0.064) 2.175 16.562 ( -0.808 -0.948 -0.516) 1.348 16.846 ( -0.210 1.179 0.275) 1.229 16.893 ( 1.004 -1.066 -0.725) 1.635 17.416 ( -0.360 -0.240 0.150) 0.458 17.567 ( -0.746 -7.064 -0.815) 7.150 17.660 ( 4.839 2.688 -3.345) 6.467 17.809 ( 0.486 -5.371 -2.067) 5.775 18.024 ( 0.605 0.691 2.204) 2.388 18.084 ( -0.125 -2.648 5.034) 5.689 18.267 ( 3.226 1.693 -0.729) 3.715 18.282 ( 3.140 1.180 -0.255) 3.364 18.624 ( 7.223 7.572 0.836) 10.498 18.788 ( 6.966 -0.950 -0.301) 7.037 18.960 ( 6.644 4.551 -0.075) 8.053 19.044 ( 6.252 0.602 -0.380) 6.292 21.376 ( -0.082 0.559 -0.036) 0.567 21.405 ( -1.837 -1.196 -0.838) 2.347 21.479 ( 0.350 0.514 0.135) 0.636 21.499 ( 0.050 -0.412 0.057) 0.419 21.816 ( -0.155 0.329 -0.209) 0.419 21.822 ( -0.042 -0.112 -0.155) 0.196 21.841 ( -0.116 0.182 0.907) 0.932 21.866 ( 0.356 -0.769 0.558) 1.015 26.782 ( -0.274 1.448 0.423) 1.533 26.848 ( 0.312 1.703 -0.520) 1.808 26.868 ( -0.004 -2.540 0.685) 2.631 26.925 ( 0.566 -1.737 -0.215) 1.840 27.226 ( -1.649 0.706 0.083) 1.796 27.233 ( -1.652 0.235 0.221) 1.683 27.312 ( -0.911 1.146 -0.061) 1.465 27.330 ( -0.890 0.214 -0.098) 0.921 35.441 ( 5.928 2.639 3.737) 7.488 35.535 ( 4.697 -1.824 0.066) 5.039 35.699 ( 4.810 5.445 -8.693) 11.329 35.832 ( 2.294 -1.593 -0.545) 2.846 36.381 ( 2.509 5.786 1.719) 6.537 36.558 ( -0.451 -1.805 1.609) 2.460 36.773 ( 4.669 12.453 3.413) 13.731 37.292 ( 0.813 -12.308 2.224) 12.534 38.240 ( 6.407 0.834 2.930) 7.095 38.337 ( 2.908 -3.129 2.430) 4.914 38.397 ( -1.091 -1.846 -2.734) 3.475 38.489 ( 0.673 -4.631 -1.476) 4.906 38.834 ( -18.349 1.540 -1.551) 18.479 38.894 ( -20.932 -1.345 -3.010) 21.190 39.909 ( -1.761 13.811 -2.405) 14.129 40.404 ( -12.121 -13.460 -3.718) 18.491 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.075 -14.844 9.950) 17.870 1.296 ( 0.075 14.844 9.950) 17.870 1.642 ( -0.543 -20.938 6.665) 21.979 1.642 ( -0.543 20.938 6.665) 21.979 2.094 ( 3.431 -2.210 -1.785) 4.454 2.094 ( 3.431 2.210 -1.785) 4.454 2.487 ( 3.798 -12.362 -7.437) 14.918 2.487 ( 3.798 12.362 -7.437) 14.918 2.648 ( -0.761 -13.066 -7.274) 14.974 2.648 ( -0.761 13.066 -7.274) 14.974 2.778 ( 2.942 -4.119 -2.486) 5.639 2.778 ( 2.942 4.119 -2.486) 5.639 2.869 ( -6.812 -5.434 -1.579) 8.856 2.869 ( -6.812 5.434 -1.579) 8.856 2.986 ( -1.542 -2.504 -1.042) 3.120 2.986 ( -1.542 2.504 -1.042) 3.120 3.167 ( -2.984 -4.279 -0.972) 5.307 3.167 ( -2.984 4.279 -0.972) 5.307 3.360 ( -0.885 -12.205 -0.042) 12.237 3.360 ( -0.885 12.205 -0.042) 12.237 3.655 ( 0.826 -6.386 3.085) 7.141 3.655 ( 0.826 6.386 3.085) 7.141 3.778 ( 0.499 -6.112 -1.119) 6.234 3.778 ( 0.499 6.112 -1.119) 6.234 4.002 ( 0.922 -4.845 2.270) 5.429 4.002 ( 0.922 4.845 2.270) 5.429 4.276 ( 1.772 -3.845 -4.660) 6.296 4.276 ( 1.772 3.845 -4.660) 6.296 4.418 ( 0.216 -0.688 0.196) 0.748 4.418 ( 0.216 0.688 0.196) 0.748 4.517 ( -3.807 -3.365 0.355) 5.094 4.517 ( -3.807 3.365 0.355) 5.094 4.694 ( 1.577 -4.414 -2.903) 5.513 4.694 ( 1.577 4.414 -2.903) 5.513 4.803 ( 0.967 -1.303 -2.965) 3.380 4.803 ( 0.967 1.303 -2.965) 3.380 4.946 ( 2.582 -5.439 0.899) 6.088 4.946 ( 2.582 5.439 0.899) 6.088 5.090 ( 1.473 -5.283 2.893) 6.201 5.090 ( 1.473 5.283 2.893) 6.201 5.240 ( -0.467 -7.527 -0.643) 7.569 5.240 ( -0.467 7.527 -0.643) 7.569 5.411 ( -2.305 -3.526 0.678) 4.267 5.411 ( -2.305 3.526 0.678) 4.267 5.627 ( -2.200 -0.542 -1.628) 2.790 5.627 ( -2.200 0.542 -1.628) 2.790 5.733 ( 0.942 -3.580 -3.206) 4.897 5.733 ( 0.942 3.580 -3.206) 4.897 5.852 ( -2.545 -1.365 4.799) 5.601 5.852 ( -2.545 1.365 4.799) 5.601 5.947 ( 1.122 -4.886 5.556) 7.484 5.947 ( 1.122 4.886 5.556) 7.484 6.107 ( 2.982 -4.822 5.788) 8.102 6.107 ( 2.982 4.822 5.788) 8.102 6.415 ( -0.369 -3.970 -2.382) 4.645 6.415 ( -0.369 3.970 -2.382) 4.645 6.559 ( -0.181 -1.906 -0.830) 2.087 6.559 ( -0.181 1.906 -0.830) 2.087 6.642 ( -0.244 -5.097 -1.804) 5.412 6.642 ( -0.244 5.097 -1.804) 5.412 6.791 ( 1.559 -1.736 3.536) 4.236 6.791 ( 1.559 1.736 3.536) 4.236 6.933 ( 3.120 -3.993 -0.990) 5.163 6.933 ( 3.120 3.993 -0.990) 5.163 7.159 ( -3.104 -0.811 0.925) 3.339 7.159 ( -3.104 0.811 0.925) 3.339 7.220 ( -4.103 -2.633 -2.462) 5.462 7.220 ( -4.103 2.633 -2.462) 5.462 7.282 ( 1.662 -2.837 -1.083) 3.462 7.282 ( 1.662 2.837 -1.083) 3.462 7.600 ( 4.989 -2.307 11.475) 12.724 7.600 ( 4.989 2.307 11.475) 12.724 7.830 ( 0.574 -5.926 -8.886) 10.696 7.830 ( 0.574 5.926 -8.886) 10.696 8.051 ( -2.543 -3.229 -2.735) 4.937 8.051 ( -2.543 3.229 -2.735) 4.937 8.117 ( -1.493 -4.344 0.846) 4.670 8.117 ( -1.493 4.344 0.846) 4.670 8.285 ( -1.168 -4.502 -3.385) 5.752 8.285 ( -1.168 4.502 -3.385) 5.752 8.646 ( 1.527 -1.881 0.400) 2.455 8.646 ( 1.527 1.881 0.400) 2.455 8.819 ( 3.256 -4.092 0.803) 5.290 8.819 ( 3.256 4.092 0.803) 5.290 8.904 ( -0.925 -2.271 0.793) 2.577 8.904 ( -0.925 2.271 0.793) 2.577 9.085 ( -0.531 -7.749 1.748) 7.961 9.085 ( -0.531 7.749 1.748) 7.961 9.193 ( -3.924 -5.182 8.239) 10.495 9.193 ( -3.924 5.182 8.239) 10.495 9.558 ( -1.907 -4.607 9.234) 10.494 9.558 ( -1.907 4.607 9.234) 10.494 9.847 ( 3.347 -3.900 -8.161) 9.644 9.847 ( 3.347 3.900 -8.161) 9.644 10.545 ( 0.260 -12.503 -8.602) 15.178 10.545 ( 0.260 12.503 -8.602) 15.178 16.520 ( -0.085 -1.377 -0.650) 1.525 16.520 ( -0.085 1.377 -0.650) 1.525 16.875 ( 0.232 -1.388 0.076) 1.410 16.875 ( 0.232 1.388 0.076) 1.410 17.456 ( 0.048 -3.773 0.696) 3.837 17.456 ( 0.048 3.773 0.696) 3.837 17.694 ( 0.043 -3.031 -4.511) 5.435 17.694 ( 0.043 3.031 -4.511) 5.435 18.080 ( -0.926 -1.455 3.909) 4.272 18.080 ( -0.926 1.455 3.909) 4.272 18.311 ( 0.201 -0.680 -1.000) 1.226 18.311 ( 0.201 0.680 -1.000) 1.226 18.821 ( 0.593 -3.824 1.570) 4.176 18.821 ( 0.593 3.824 1.570) 4.176 19.078 ( -0.297 -2.138 -0.821) 2.309 19.078 ( -0.297 2.138 -0.821) 2.309 21.382 ( 0.201 -0.152 -0.038) 0.255 21.382 ( 0.201 0.152 -0.038) 0.255 21.490 ( -0.114 -0.414 -0.078) 0.436 21.490 ( -0.114 0.414 -0.078) 0.436 21.816 ( 0.034 -0.160 -0.291) 0.333 21.816 ( 0.034 0.160 -0.291) 0.333 21.860 ( -0.025 -0.736 1.006) 1.247 21.860 ( -0.025 0.736 1.006) 1.247 26.819 ( -0.183 -2.145 0.511) 2.212 26.819 ( -0.183 2.145 0.511) 2.212 26.892 ( 0.108 -1.949 -0.190) 1.961 26.892 ( 0.108 1.949 -0.190) 1.961 27.221 ( -0.089 -0.230 0.170) 0.300 27.221 ( -0.089 0.230 0.170) 0.300 27.321 ( 0.063 -0.457 -0.051) 0.464 27.321 ( 0.063 0.457 -0.051) 0.464 35.549 ( -1.646 -3.437 2.262) 4.431 35.549 ( -1.646 3.437 2.262) 4.431 35.785 ( 3.120 -3.358 -4.095) 6.146 35.785 ( 3.120 3.358 -4.095) 6.146 36.539 ( -0.324 -6.311 4.811) 7.942 36.539 ( -0.324 6.311 4.811) 7.942 37.043 ( -0.923 -11.148 0.178) 11.188 37.043 ( -0.923 11.148 0.178) 11.188 38.287 ( -4.733 -0.291 0.021) 4.742 38.287 ( -4.733 0.291 0.021) 4.742 38.527 ( 8.874 -1.819 0.660) 9.083 38.527 ( 8.874 1.819 0.660) 9.083 38.625 ( -2.876 -1.921 -1.168) 3.650 38.625 ( -2.876 1.921 -1.168) 3.650 40.037 ( -1.710 -7.076 -6.787) 9.953 40.037 ( -1.710 7.076 -6.787) 9.953 ======================= Grid point 92 (49/92) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 13.909 -12.395 9.560) 20.941 1.572 ( 13.909 12.395 9.560) 20.941 1.789 ( 5.332 -17.136 11.305) 21.210 1.789 ( 5.332 17.136 11.305) 21.210 2.205 ( 13.128 -2.487 -5.127) 14.312 2.205 ( 13.128 2.487 -5.127) 14.312 2.435 ( -0.458 -5.388 -18.735) 19.499 2.435 ( -0.458 5.388 -18.735) 19.499 2.570 ( -0.354 -13.741 -1.558) 13.834 2.570 ( -0.354 13.741 -1.558) 13.834 2.667 ( -4.758 -8.435 -5.967) 11.375 2.667 ( -4.758 8.435 -5.967) 11.375 2.815 ( 4.551 -0.329 2.402) 5.157 2.815 ( 4.551 0.329 2.402) 5.157 3.012 ( 4.920 -1.242 3.011) 5.900 3.012 ( 4.920 1.242 3.011) 5.900 3.207 ( 1.385 -1.091 0.030) 1.764 3.207 ( 1.385 1.091 0.030) 1.764 3.363 ( 2.498 -11.633 0.534) 11.910 3.363 ( 2.498 11.633 0.534) 11.910 3.683 ( 0.569 -11.181 1.658) 11.317 3.683 ( 0.569 11.181 1.658) 11.317 3.794 ( 2.646 -8.940 -2.042) 9.544 3.794 ( 2.646 8.940 -2.042) 9.544 4.065 ( 2.311 -1.935 3.042) 4.282 4.065 ( 2.311 1.935 3.042) 4.282 4.256 ( 1.656 -0.184 -3.449) 3.830 4.256 ( 1.656 0.184 -3.449) 3.830 4.357 ( -5.115 -0.533 -3.290) 6.106 4.357 ( -5.115 0.533 -3.290) 6.106 4.518 ( 1.938 -4.993 2.027) 5.726 4.518 ( 1.938 4.993 2.027) 5.726 4.663 ( -2.769 -2.356 -1.300) 3.861 4.663 ( -2.769 2.356 -1.300) 3.861 4.780 ( 1.174 -0.852 -3.314) 3.617 4.780 ( 1.174 0.852 -3.314) 3.617 5.020 ( 4.989 -10.248 0.938) 11.437 5.020 ( 4.989 10.248 0.938) 11.437 5.113 ( -1.071 -1.133 -0.101) 1.562 5.113 ( -1.071 1.133 -0.101) 1.562 5.258 ( 0.827 -3.227 3.521) 4.847 5.258 ( 0.827 3.227 3.521) 4.847 5.398 ( 1.062 -3.312 0.163) 3.482 5.398 ( 1.062 3.312 0.163) 3.482 5.584 ( -1.082 -1.829 -1.153) 2.417 5.584 ( -1.082 1.829 -1.153) 2.417 5.713 ( -0.365 -4.721 -0.520) 4.763 5.713 ( -0.365 4.721 -0.520) 4.763 5.859 ( -0.506 -3.352 -0.026) 3.390 5.859 ( -0.506 3.352 -0.026) 3.390 6.035 ( 3.009 -4.129 4.499) 6.808 6.035 ( 3.009 4.129 4.499) 6.808 6.223 ( 1.857 -3.442 4.383) 5.874 6.223 ( 1.857 3.442 4.383) 5.874 6.354 ( -3.240 -0.155 -0.154) 3.247 6.354 ( -3.240 0.155 -0.154) 3.247 6.516 ( -4.033 -3.624 -1.872) 5.736 6.516 ( -4.033 3.624 -1.872) 5.736 6.679 ( 6.059 -4.989 -0.688) 7.879 6.679 ( 6.059 4.989 -0.688) 7.879 6.843 ( 0.034 -2.741 3.530) 4.470 6.843 ( 0.034 2.741 3.530) 4.470 6.950 ( -1.498 -2.189 -0.953) 2.818 6.950 ( -1.498 2.189 -0.953) 2.818 7.061 ( -3.499 -2.445 -1.393) 4.490 7.061 ( -3.499 2.445 -1.393) 4.490 7.176 ( 2.425 -3.887 2.025) 5.009 7.176 ( 2.425 3.887 2.025) 5.009 7.420 ( 7.223 -1.705 1.445) 7.561 7.420 ( 7.223 1.705 1.445) 7.561 7.646 ( -5.896 -8.200 -8.792) 13.390 7.646 ( -5.896 8.200 -8.792) 13.390 7.762 ( 0.919 -0.579 3.991) 4.136 7.762 ( 0.919 0.579 3.991) 4.136 8.045 ( 2.831 -2.030 3.838) 5.183 8.045 ( 2.831 2.030 3.838) 5.183 8.139 ( 2.016 -2.259 -0.232) 3.037 8.139 ( 2.016 2.259 -0.232) 3.037 8.279 ( 3.927 -1.566 -4.643) 6.279 8.279 ( 3.927 1.566 -4.643) 6.279 8.637 ( -0.387 -1.444 -3.044) 3.391 8.637 ( -0.387 1.444 -3.044) 3.391 8.800 ( -3.697 -6.995 2.357) 8.255 8.800 ( -3.697 6.995 2.357) 8.255 8.982 ( 6.025 -2.462 0.386) 6.521 8.982 ( 6.025 2.462 0.386) 6.521 9.088 ( -2.341 -8.854 3.518) 9.811 9.088 ( -2.341 8.854 3.518) 9.811 9.304 ( 7.442 -3.877 3.341) 9.032 9.304 ( 7.442 3.877 3.341) 9.032 9.654 ( -0.533 -8.800 12.104) 14.974 9.654 ( -0.533 8.800 12.104) 14.974 9.833 ( 5.227 -5.121 -7.204) 10.268 9.833 ( 5.227 5.121 -7.204) 10.268 10.464 ( 2.345 -11.544 -9.513) 15.141 10.464 ( 2.345 11.544 -9.513) 15.141 16.525 ( 1.509 -0.962 -0.422) 1.839 16.525 ( 1.509 0.962 -0.422) 1.839 16.875 ( -0.366 -1.232 -0.133) 1.292 16.875 ( -0.366 1.232 -0.133) 1.292 17.469 ( 0.434 -2.595 0.825) 2.758 17.469 ( 0.434 2.595 0.825) 2.758 17.638 ( -0.996 -2.357 -3.885) 4.652 17.638 ( -0.996 2.357 -3.885) 4.652 18.093 ( -2.424 -0.670 3.696) 4.471 18.093 ( -2.424 0.670 3.696) 4.471 18.277 ( -2.738 -0.978 -1.043) 3.089 18.277 ( -2.738 0.978 -1.043) 3.089 18.785 ( -6.265 -3.460 1.365) 7.286 18.785 ( -6.265 3.460 1.365) 7.286 19.003 ( -7.102 -1.826 -0.927) 7.391 19.003 ( -7.102 1.826 -0.927) 7.391 21.390 ( 0.682 -0.567 -0.203) 0.910 21.390 ( 0.682 0.567 -0.203) 0.910 21.486 ( -0.313 -0.209 0.000) 0.377 21.486 ( -0.313 0.209 0.000) 0.377 21.815 ( 0.228 -0.202 -0.192) 0.360 21.815 ( 0.228 0.202 -0.192) 0.360 21.868 ( -0.239 -0.587 0.800) 1.020 21.868 ( -0.239 0.587 0.800) 1.020 26.822 ( -0.091 -1.840 0.517) 1.914 26.822 ( -0.091 1.840 0.517) 1.914 26.887 ( -0.309 -1.708 -0.199) 1.747 26.887 ( -0.309 1.708 -0.199) 1.747 27.236 ( 1.537 -0.264 0.147) 1.567 27.236 ( 1.537 0.264 0.147) 1.567 27.328 ( 0.819 -0.447 -0.100) 0.938 27.328 ( 0.819 0.447 -0.100) 0.938 35.487 ( -7.417 -6.247 1.454) 9.806 35.487 ( -7.417 6.247 1.454) 9.806 35.796 ( 2.743 -3.292 -3.245) 5.375 35.796 ( 2.743 3.292 -3.245) 5.375 36.560 ( -3.237 -7.193 4.609) 9.136 36.560 ( -3.237 7.193 4.609) 9.136 37.014 ( -2.773 -8.385 0.095) 8.832 37.014 ( -2.773 8.385 0.095) 8.832 38.211 ( -3.222 -3.091 0.784) 4.533 38.211 ( -3.222 3.091 0.784) 4.533 38.477 ( -4.524 -1.834 -0.732) 4.936 38.477 ( -4.524 1.834 -0.732) 4.936 38.895 ( 23.325 -2.370 -0.974) 23.465 38.895 ( 23.325 2.370 -0.974) 23.465 39.992 ( 4.597 -6.067 -5.367) 9.313 39.992 ( 4.597 6.067 -5.367) 9.313 ======================= Grid point 94 (50/92) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 2.292 -8.461 4.675) 9.935 1.808 ( 2.292 8.461 4.675) 9.935 1.962 ( -0.235 -8.510 5.127) 9.938 1.962 ( -0.235 8.510 5.127) 9.938 2.156 ( 0.678 -10.770 -12.288) 16.354 2.156 ( 0.678 10.770 -12.288) 16.354 2.399 ( 7.609 -5.311 -4.611) 10.362 2.399 ( 7.609 5.311 -4.611) 10.362 2.558 ( 2.214 -10.161 -1.426) 10.497 2.558 ( 2.214 10.161 -1.426) 10.497 2.662 ( 8.604 -6.570 2.463) 11.102 2.662 ( 8.604 6.570 2.463) 11.102 3.008 ( 8.206 -1.681 3.174) 8.957 3.008 ( 8.206 1.681 3.174) 8.957 3.125 ( -1.774 -1.406 -0.490) 2.316 3.125 ( -1.774 1.406 -0.490) 2.316 3.206 ( 7.870 -1.254 0.692) 7.999 3.206 ( 7.870 1.254 0.692) 7.999 3.457 ( 4.981 -6.934 2.711) 8.958 3.457 ( 4.981 6.934 2.711) 8.958 3.711 ( 1.695 -5.721 -1.700) 6.205 3.711 ( 1.695 5.721 -1.700) 6.205 3.830 ( 4.062 -9.198 -0.108) 10.056 3.830 ( 4.062 9.198 -0.108) 10.056 4.089 ( -0.577 -2.288 -1.290) 2.689 4.089 ( -0.577 2.288 -1.290) 2.689 4.241 ( -0.575 -2.248 -4.157) 4.761 4.241 ( -0.575 2.248 -4.157) 4.761 4.317 ( 3.445 -8.167 3.609) 9.570 4.317 ( 3.445 8.167 3.609) 9.570 4.547 ( 0.605 -7.830 -1.744) 8.044 4.547 ( 0.605 7.830 -1.744) 8.044 4.602 ( -3.204 -2.335 0.911) 4.068 4.602 ( -3.204 2.335 0.911) 4.068 4.795 ( 2.910 -0.575 -0.495) 3.007 4.795 ( 2.910 0.575 -0.495) 3.007 5.059 ( 0.800 -3.284 -3.262) 4.697 5.059 ( 0.800 3.284 -3.262) 4.697 5.135 ( 1.761 -6.705 2.961) 7.538 5.135 ( 1.761 6.705 2.961) 7.538 5.295 ( -0.622 -2.103 3.414) 4.058 5.295 ( -0.622 2.103 3.414) 4.058 5.453 ( 4.625 -4.773 -0.567) 6.671 5.453 ( 4.625 4.773 -0.567) 6.671 5.563 ( 0.014 -4.372 -0.811) 4.446 5.563 ( 0.014 4.372 -0.811) 4.446 5.694 ( -1.287 -6.293 -1.030) 6.505 5.694 ( -1.287 6.293 -1.030) 6.505 5.873 ( 2.792 -4.136 0.526) 5.018 5.873 ( 2.792 4.136 0.526) 5.018 6.135 ( 3.180 -3.803 3.666) 6.166 6.135 ( 3.180 3.803 3.666) 6.166 6.215 ( -2.400 -3.447 -2.218) 4.750 6.215 ( -2.400 3.447 -2.218) 4.750 6.339 ( -0.106 -2.899 -0.944) 3.051 6.339 ( -0.106 2.899 -0.944) 3.051 6.428 ( -3.422 -3.670 0.927) 5.102 6.428 ( -3.422 3.670 0.927) 5.102 6.728 ( 0.687 -5.443 -5.188) 7.551 6.728 ( 0.687 5.443 -5.188) 7.551 6.858 ( 0.545 -1.087 0.012) 1.216 6.858 ( 0.545 1.087 0.012) 1.216 6.953 ( 2.007 -2.469 1.944) 3.728 6.953 ( 2.007 2.469 1.944) 3.728 7.036 ( 0.619 -4.122 2.360) 4.790 7.036 ( 0.619 4.122 2.360) 4.790 7.287 ( 2.685 -3.153 5.024) 6.511 7.287 ( 2.685 3.153 5.024) 6.511 7.417 ( -5.200 -5.831 -1.903) 8.041 7.417 ( -5.200 5.831 -1.903) 8.041 7.540 ( 1.209 -6.418 -4.427) 7.890 7.540 ( 1.209 6.418 -4.427) 7.890 7.814 ( 3.810 -4.672 0.141) 6.030 7.814 ( 3.810 4.672 0.141) 6.030 8.140 ( 2.746 -3.155 3.301) 5.328 8.140 ( 2.746 3.155 3.301) 5.328 8.186 ( 3.339 -4.615 0.262) 5.702 8.186 ( 3.339 4.615 0.262) 5.702 8.302 ( 4.085 -3.141 -3.331) 6.136 8.302 ( 4.085 3.141 -3.331) 6.136 8.616 ( 0.968 -4.775 -0.795) 4.937 8.616 ( 0.968 4.775 -0.795) 4.937 8.766 ( -2.524 -8.182 1.011) 8.622 8.766 ( -2.524 8.182 1.011) 8.622 9.068 ( 3.177 -2.901 -0.488) 4.329 9.068 ( 3.177 2.901 -0.488) 4.329 9.102 ( 0.443 -5.222 3.324) 6.206 9.102 ( 0.443 5.222 3.324) 6.206 9.446 ( 6.331 -2.713 0.633) 6.917 9.446 ( 6.331 2.713 0.633) 6.917 9.749 ( 1.056 -5.205 2.757) 5.984 9.749 ( 1.056 5.205 2.757) 5.984 9.895 ( 6.700 -6.727 -0.367) 9.502 9.895 ( 6.700 6.727 -0.367) 9.502 10.437 ( 3.486 -7.858 -4.597) 9.748 10.437 ( 3.486 7.858 -4.597) 9.748 16.560 ( 2.816 -0.753 0.020) 2.915 16.560 ( 2.816 0.753 0.020) 2.915 16.858 ( -1.332 -1.196 -0.394) 1.833 16.858 ( -1.332 1.196 -0.394) 1.833 17.484 ( 0.543 -0.821 0.324) 1.036 17.484 ( 0.543 0.821 0.324) 1.036 17.587 ( -1.393 -0.785 -1.719) 2.348 17.587 ( -1.393 0.785 -1.719) 2.348 18.075 ( -3.720 -0.503 2.590) 4.560 18.075 ( -3.720 0.503 2.590) 4.560 18.204 ( -4.810 -0.896 -0.298) 4.902 18.204 ( -4.810 0.896 -0.298) 4.902 18.665 ( -7.735 -2.308 -0.431) 8.083 18.665 ( -7.735 2.308 -0.431) 8.083 18.847 ( -9.670 -1.285 -0.145) 9.756 18.847 ( -9.670 1.285 -0.145) 9.756 21.399 ( 0.854 -0.489 -0.356) 1.047 21.399 ( 0.854 0.489 -0.356) 1.047 21.479 ( -0.539 -0.097 0.117) 0.560 21.479 ( -0.539 0.097 0.117) 0.560 21.819 ( 0.414 -0.281 -0.099) 0.510 21.819 ( 0.414 0.281 -0.099) 0.510 21.868 ( -0.478 -0.382 0.356) 0.708 21.868 ( -0.478 0.382 0.356) 0.708 26.828 ( 0.146 -1.478 0.454) 1.553 26.828 ( 0.146 1.478 0.454) 1.553 26.878 ( -0.440 -1.409 -0.289) 1.504 26.878 ( -0.440 1.409 -0.289) 1.504 27.270 ( 2.199 -0.195 0.039) 2.208 27.270 ( 2.199 0.195 0.039) 2.208 27.344 ( 1.134 -0.377 -0.078) 1.198 27.344 ( 1.134 0.377 -0.078) 1.198 35.359 ( -8.367 -6.109 0.702) 10.384 35.359 ( -8.367 6.109 0.702) 10.384 35.805 ( 2.117 -4.871 -2.822) 6.014 35.805 ( 2.117 4.871 -2.822) 6.014 36.541 ( -3.659 -7.257 3.318) 8.779 36.541 ( -3.659 7.257 3.318) 8.779 36.951 ( -4.721 -9.307 0.085) 10.436 36.951 ( -4.721 9.307 0.085) 10.436 38.204 ( 0.277 -5.936 1.632) 6.162 38.204 ( 0.277 5.936 1.632) 6.162 38.407 ( -2.748 -2.640 -0.929) 3.922 38.407 ( -2.748 2.640 -0.929) 3.922 39.274 ( 23.252 -4.008 -3.617) 23.870 39.274 ( 23.252 4.008 -3.617) 23.870 40.075 ( 7.787 -9.061 0.525) 11.959 40.075 ( 7.787 9.061 0.525) 11.959 ======================= Grid point 96 (51/92) ======================= q-point: ( 0.33 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -7.141 -1.077 -5.724) 9.215 1.698 ( -7.141 1.077 -5.724) 9.215 1.954 ( -0.137 -2.507 0.540) 2.568 1.954 ( -0.137 2.507 0.540) 2.568 2.239 ( 5.297 -8.097 4.128) 10.520 2.239 ( 5.297 8.097 4.128) 10.520 2.445 ( 4.883 -4.244 -1.270) 6.593 2.445 ( 4.883 4.244 -1.270) 6.593 2.627 ( 3.185 -7.963 3.618) 9.308 2.627 ( 3.185 7.963 3.618) 9.308 2.868 ( 7.417 -3.533 -2.313) 8.535 2.868 ( 7.417 3.533 -2.313) 8.535 2.978 ( -0.136 -9.621 -3.985) 10.414 2.978 ( -0.136 9.621 -3.985) 10.414 3.154 ( -1.823 -2.459 6.517) 7.200 3.154 ( -1.823 2.459 6.517) 7.200 3.336 ( 1.662 -2.759 1.292) 3.470 3.336 ( 1.662 2.759 1.292) 3.470 3.559 ( 3.903 -4.567 1.883) 6.295 3.559 ( 3.903 4.567 1.883) 6.295 3.710 ( 1.358 -3.285 -0.997) 3.691 3.710 ( 1.358 3.285 -0.997) 3.691 3.946 ( 6.688 -6.562 2.069) 9.595 3.946 ( 6.688 6.562 2.069) 9.595 4.040 ( 0.148 -2.480 -3.747) 4.496 4.040 ( 0.148 2.480 -3.747) 4.496 4.250 ( 3.398 -2.701 -1.234) 4.513 4.250 ( 3.398 2.701 -1.234) 4.513 4.387 ( 0.309 -2.890 -0.154) 2.911 4.387 ( 0.309 2.890 -0.154) 2.911 4.537 ( 0.408 -4.066 -0.734) 4.152 4.537 ( 0.408 4.066 -0.734) 4.152 4.597 ( 0.718 -5.509 3.466) 6.548 4.597 ( 0.718 5.509 3.466) 6.548 4.837 ( 0.826 -1.892 0.680) 2.174 4.837 ( 0.826 1.892 0.680) 2.174 5.028 ( 1.897 -1.807 -6.072) 6.613 5.028 ( 1.897 1.807 -6.072) 6.613 5.176 ( 0.378 -7.501 1.409) 7.642 5.176 ( 0.378 7.501 1.409) 7.642 5.339 ( 0.855 -0.473 4.813) 4.912 5.339 ( 0.855 0.473 4.813) 4.912 5.478 ( -4.288 -4.384 2.945) 6.803 5.478 ( -4.288 4.384 2.945) 6.803 5.588 ( 5.201 -9.124 -3.545) 11.085 5.588 ( 5.201 9.124 -3.545) 11.085 5.675 ( 3.885 -2.006 -3.151) 5.390 5.675 ( 3.885 2.006 -3.151) 5.390 5.939 ( 2.049 -2.669 2.441) 4.157 5.939 ( 2.049 2.669 2.441) 4.157 6.164 ( -0.267 -3.415 -1.704) 3.826 6.164 ( -0.267 3.415 -1.704) 3.826 6.201 ( 1.442 -6.369 -0.167) 6.532 6.201 ( 1.442 6.369 -0.167) 6.532 6.313 ( -1.148 -0.842 1.046) 1.766 6.313 ( -1.148 0.842 1.046) 1.766 6.430 ( 1.623 -0.753 -0.139) 1.795 6.430 ( 1.623 0.753 -0.139) 1.795 6.643 ( -2.076 -5.776 -5.018) 7.928 6.643 ( -2.076 5.776 -5.018) 7.928 6.857 ( 1.115 -1.057 -3.162) 3.515 6.857 ( 1.115 1.057 -3.162) 3.515 6.997 ( -0.528 -1.267 3.225) 3.505 6.997 ( -0.528 1.267 3.225) 3.505 7.111 ( 3.972 -3.187 0.086) 5.093 7.111 ( 3.972 3.187 0.086) 5.093 7.264 ( -3.033 -5.005 -1.755) 6.110 7.264 ( -3.033 5.005 -1.755) 6.110 7.372 ( -4.373 -3.526 1.831) 5.909 7.372 ( -4.373 3.526 1.831) 5.909 7.550 ( 3.091 -2.529 2.590) 4.760 7.550 ( 3.091 2.530 2.590) 4.760 7.881 ( 3.637 -8.608 -0.345) 9.351 7.881 ( 3.637 8.608 -0.345) 9.351 8.183 ( 1.061 -3.494 -0.907) 3.763 8.183 ( 1.061 3.494 -0.907) 3.763 8.254 ( 4.433 -0.924 -1.346) 4.724 8.254 ( 4.433 0.924 -1.346) 4.724 8.365 ( 4.416 -4.166 1.769) 6.324 8.365 ( 4.416 4.166 1.769) 6.324 8.640 ( 1.145 -5.963 1.284) 6.206 8.640 ( 1.145 5.963 1.284) 6.206 8.739 ( -1.280 -9.839 -0.223) 9.925 8.739 ( -1.280 9.839 -0.223) 9.925 9.091 ( -0.207 -5.320 1.262) 5.472 9.091 ( -0.207 5.320 1.262) 5.472 9.149 ( 2.247 -1.836 -0.103) 2.903 9.149 ( 2.247 1.836 -0.103) 2.903 9.534 ( 3.359 -1.918 0.631) 3.919 9.534 ( 3.359 1.918 0.631) 3.919 9.772 ( 1.087 -2.107 -0.694) 2.471 9.772 ( 1.087 2.107 -0.694) 2.471 10.001 ( 7.791 -4.465 -3.005) 9.469 10.001 ( 7.791 4.465 -3.005) 9.469 10.459 ( -0.215 -2.951 1.547) 3.339 10.459 ( -0.215 2.951 1.547) 3.339 16.614 ( 3.287 -0.617 0.160) 3.349 16.614 ( 3.287 0.617 0.160) 3.349 16.824 ( -2.109 -1.165 -0.302) 2.428 16.824 ( -2.109 1.165 -0.302) 2.428 17.493 ( 0.579 -4.273 -0.414) 4.332 17.493 ( 0.579 4.273 -0.414) 4.332 17.556 ( -1.528 -4.184 0.369) 4.470 17.556 ( -1.528 4.184 0.369) 4.470 18.028 ( -3.947 -0.769 1.162) 4.186 18.028 ( -3.947 0.769 1.162) 4.186 18.120 ( -4.829 -0.495 0.057) 4.855 18.120 ( -4.829 0.495 0.057) 4.855 18.544 ( -4.549 -1.248 -1.735) 5.026 18.544 ( -4.549 1.248 -1.735) 5.026 18.703 ( -7.459 -0.910 1.039) 7.586 18.703 ( -7.459 0.910 1.039) 7.586 21.412 ( 1.092 -0.304 -0.153) 1.143 21.412 ( 1.092 0.304 -0.153) 1.143 21.469 ( -0.867 -0.310 0.137) 0.931 21.469 ( -0.867 0.310 0.137) 0.931 21.827 ( 0.518 -0.264 -0.074) 0.586 21.827 ( 0.518 0.264 -0.074) 0.586 21.861 ( -0.568 -0.249 -0.002) 0.620 21.861 ( -0.568 0.249 -0.002) 0.620 26.836 ( 0.305 -1.523 0.345) 1.591 26.836 ( 0.305 1.523 0.345) 1.591 26.867 ( -0.396 -1.361 -0.375) 1.466 26.867 ( -0.396 1.361 -0.375) 1.466 27.303 ( 1.633 -0.196 -0.020) 1.645 27.303 ( 1.633 0.196 -0.020) 1.645 27.364 ( 1.141 -0.586 0.084) 1.286 27.364 ( 1.141 0.586 0.084) 1.286 35.242 ( -5.933 -5.645 0.585) 8.210 35.242 ( -5.933 5.645 0.585) 8.210 35.807 ( 1.871 -6.053 -2.980) 7.002 35.807 ( 1.871 6.053 -2.980) 7.002 36.518 ( -2.642 -9.013 2.514) 9.723 36.518 ( -2.642 9.013 2.514) 9.723 36.868 ( -4.514 -10.845 -0.376) 11.753 36.868 ( -4.514 10.845 -0.376) 11.753 38.235 ( 1.615 -3.977 0.651) 4.341 38.235 ( 1.615 3.977 0.651) 4.341 38.360 ( -2.217 -3.300 -0.399) 3.995 38.360 ( -2.217 3.300 -0.399) 3.995 39.580 ( 17.536 -5.725 -3.088) 18.703 39.580 ( 17.536 5.725 -3.088) 18.703 40.224 ( 5.560 -10.624 3.602) 12.520 40.224 ( 5.560 10.624 3.602) 12.520 ======================= Grid point 98 (52/92) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.362 -2.953 0.283) 2.988 1.605 ( 0.362 2.953 0.283) 2.988 1.972 ( -0.518 -3.658 4.022) 5.461 1.972 ( -0.518 3.658 4.022) 5.461 2.317 ( 1.125 -1.505 0.347) 1.911 2.317 ( 1.125 1.505 0.347) 1.911 2.515 ( 1.817 -3.464 0.157) 3.915 2.515 ( 1.817 3.464 0.157) 3.915 2.684 ( -1.397 -4.545 -3.274) 5.773 2.684 ( -1.397 4.545 -3.274) 5.773 2.830 ( 4.182 -4.031 0.625) 5.841 2.830 ( 4.182 4.031 0.625) 5.841 3.049 ( -0.183 -3.506 2.172) 4.129 3.049 ( -0.183 3.506 2.172) 4.129 3.195 ( -0.013 -1.184 4.430) 4.585 3.195 ( -0.013 1.184 4.430) 4.585 3.297 ( -2.396 -1.848 -1.375) 3.323 3.297 ( -2.396 1.848 -1.375) 3.323 3.600 ( -1.115 -3.458 -0.888) 3.740 3.600 ( -1.115 3.458 -0.888) 3.740 3.743 ( 1.097 -6.288 2.853) 6.991 3.743 ( 1.097 6.288 2.853) 6.991 3.963 ( -0.466 -6.988 0.656) 7.034 3.963 ( -0.466 6.988 0.656) 7.034 4.160 ( 10.085 -6.715 0.459) 12.125 4.160 ( 10.085 6.715 0.459) 12.125 4.253 ( -3.631 -3.972 0.141) 5.383 4.253 ( -3.631 3.972 0.141) 5.383 4.351 ( 1.620 -2.898 -5.622) 6.529 4.351 ( 1.620 2.898 -5.622) 6.529 4.542 ( -2.510 -4.522 2.459) 5.727 4.542 ( -2.510 4.522 2.459) 5.727 4.654 ( 1.527 -6.895 2.082) 7.362 4.654 ( 1.527 6.895 2.082) 7.362 4.835 ( -0.649 -3.191 0.303) 3.270 4.835 ( -0.649 3.191 0.303) 3.270 4.999 ( 2.112 -1.614 -5.804) 6.384 4.999 ( 2.112 1.614 -5.804) 6.384 5.201 ( 1.534 -9.453 -0.052) 9.577 5.201 ( 1.534 9.453 -0.052) 9.577 5.336 ( -2.906 -2.481 -2.307) 4.464 5.336 ( -2.906 2.481 -2.307) 4.464 5.466 ( -3.266 -2.033 8.457) 9.291 5.466 ( -3.266 2.033 8.457) 9.291 5.632 ( 2.441 -4.587 0.731) 5.247 5.632 ( 2.441 4.587 0.731) 5.247 5.764 ( 6.538 -4.568 -1.671) 8.149 5.764 ( 6.538 4.568 -1.671) 8.149 5.945 ( -1.925 -1.560 -2.620) 3.606 5.945 ( -1.925 1.560 -2.620) 3.606 6.144 ( 0.795 -4.985 -1.693) 5.324 6.144 ( 0.795 4.985 -1.693) 5.324 6.220 ( 0.547 -2.695 0.943) 2.907 6.220 ( 0.547 2.695 0.943) 2.907 6.334 ( 0.095 -1.207 3.257) 3.475 6.334 ( 0.095 1.207 3.257) 3.475 6.452 ( 1.799 -1.080 -1.613) 2.647 6.452 ( 1.799 1.080 -1.613) 2.647 6.592 ( 1.265 -6.104 -2.243) 6.624 6.592 ( 1.265 6.104 -2.243) 6.624 6.822 ( -0.139 -1.396 -4.078) 4.312 6.822 ( -0.139 1.396 -4.078) 4.312 7.014 ( 0.665 -0.353 0.298) 0.810 7.014 ( 0.665 0.353 0.298) 0.810 7.117 ( -1.219 -1.093 -3.145) 3.545 7.117 ( -1.219 1.093 -3.145) 3.545 7.227 ( -0.094 -3.763 -0.488) 3.795 7.227 ( -0.094 3.763 -0.488) 3.795 7.321 ( -2.580 -5.116 0.185) 5.733 7.321 ( -2.580 5.116 0.185) 5.733 7.647 ( 0.501 -4.652 8.216) 9.455 7.647 ( 0.501 4.652 8.216) 9.455 7.934 ( 2.199 -9.963 1.403) 10.298 7.934 ( 2.199 9.963 1.403) 10.298 8.176 ( 1.312 -3.730 -3.578) 5.333 8.176 ( 1.312 3.730 -3.578) 5.333 8.290 ( 1.642 -3.726 -1.178) 4.239 8.290 ( 1.642 3.726 -1.178) 4.239 8.439 ( 1.010 -2.330 1.037) 2.743 8.439 ( 1.010 2.330 1.037) 2.743 8.662 ( -1.189 -7.400 -0.147) 7.496 8.662 ( -1.189 7.400 -0.147) 7.496 8.728 ( 1.123 -8.489 1.068) 8.629 8.728 ( 1.123 8.489 1.068) 8.629 9.087 ( -1.238 -6.102 0.229) 6.231 9.087 ( -1.238 6.102 0.229) 6.231 9.178 ( 1.541 -2.835 -0.272) 3.238 9.178 ( 1.541 2.835 -0.272) 3.238 9.568 ( 0.233 -2.587 0.122) 2.600 9.568 ( 0.233 2.587 0.122) 2.600 9.782 ( 0.236 -2.167 0.458) 2.228 9.782 ( 0.236 2.167 0.458) 2.228 10.098 ( 7.930 -2.983 -4.448) 9.569 10.098 ( 7.930 2.983 -4.448) 9.569 10.439 ( -4.239 -2.019 2.544) 5.340 10.439 ( -4.239 2.019 2.544) 5.340 16.666 ( 2.098 -0.522 0.214) 2.172 16.666 ( 2.098 0.522 0.214) 2.172 16.786 ( -1.617 -1.099 -0.264) 1.973 16.786 ( -1.617 1.099 -0.264) 1.973 17.497 ( 0.469 -5.189 -0.439) 5.229 17.497 ( 0.469 5.189 -0.439) 5.229 17.544 ( -0.673 -4.621 1.213) 4.824 17.544 ( -0.673 4.621 1.213) 4.824 17.980 ( -2.472 -0.429 0.247) 2.521 17.980 ( -2.472 0.429 0.247) 2.521 18.055 ( -2.072 -0.763 -0.558) 2.277 18.055 ( -2.072 0.763 -0.558) 2.277 18.486 ( -0.497 -1.325 -1.374) 1.973 18.486 ( -0.497 1.325 -1.374) 1.973 18.629 ( -3.004 -0.879 1.669) 3.547 18.629 ( -3.004 0.879 1.669) 3.547 21.432 ( 1.173 -0.552 0.082) 1.299 21.432 ( 1.173 0.552 0.082) 1.299 21.454 ( -1.041 -0.579 0.202) 1.208 21.454 ( -1.041 0.579 0.202) 1.208 21.834 ( 0.434 -0.205 -0.138) 0.499 21.834 ( 0.434 0.205 -0.138) 0.499 21.851 ( -0.457 -0.194 -0.169) 0.525 21.851 ( -0.457 0.194 -0.169) 0.525 26.842 ( -0.051 -2.280 0.052) 2.281 26.842 ( -0.051 2.280 0.052) 2.281 26.860 ( 0.065 -2.058 -0.167) 2.066 26.860 ( 0.065 2.058 -0.167) 2.066 27.325 ( 0.728 -0.182 0.390) 0.846 27.325 ( 0.728 0.182 0.390) 0.846 27.378 ( 0.357 -0.692 -0.101) 0.785 27.378 ( 0.357 0.692 -0.101) 0.785 35.181 ( -2.190 -5.276 0.896) 5.782 35.181 ( -2.190 5.276 0.896) 5.782 35.804 ( 1.814 -6.253 -3.341) 7.318 35.804 ( 1.814 6.253 -3.341) 7.318 36.503 ( -2.407 -9.650 2.193) 10.184 36.503 ( -2.407 9.650 2.193) 10.184 36.808 ( -1.303 -10.317 -0.844) 10.433 36.808 ( -1.303 10.317 -0.844) 10.433 38.268 ( 2.192 -2.302 -0.430) 3.208 38.268 ( 2.192 2.302 -0.430) 3.208 38.315 ( -2.626 -8.147 -0.596) 8.580 38.315 ( -2.626 8.147 -0.596) 8.580 39.805 ( 9.558 -7.155 2.303) 12.159 39.805 ( 9.558 7.155 2.303) 12.159 40.292 ( -0.984 -9.511 0.780) 9.593 40.292 ( -0.984 9.511 0.780) 9.593 ======================= Grid point 100 (53/92) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 4.211 -3.775 1.290) 5.800 1.676 ( 4.211 3.775 1.290) 5.800 2.003 ( -2.214 -5.687 4.407) 7.528 2.003 ( -2.214 5.687 4.407) 7.528 2.328 ( 1.092 -3.772 1.833) 4.334 2.328 ( 1.092 3.772 1.833) 4.334 2.473 ( -3.879 -2.051 -1.837) 4.756 2.473 ( -3.879 2.051 -1.837) 4.756 2.623 ( -1.318 -1.589 -0.423) 2.108 2.623 ( -1.318 1.589 -0.423) 2.108 2.948 ( 3.250 -4.467 -2.405) 6.025 2.948 ( 3.250 4.467 -2.405) 6.025 3.032 ( -2.009 -6.585 0.469) 6.901 3.032 ( -2.009 6.585 0.469) 6.901 3.138 ( -4.516 -7.731 4.810) 10.164 3.138 ( -4.516 7.731 4.810) 10.164 3.368 ( 4.334 -1.983 2.779) 5.517 3.368 ( 4.334 1.983 2.779) 5.517 3.523 ( -3.467 -1.889 -3.076) 5.005 3.523 ( -3.467 1.889 -3.076) 5.005 3.789 ( -0.276 -5.548 3.262) 6.442 3.789 ( -0.276 5.548 3.262) 6.442 3.988 ( -0.531 -5.809 2.738) 6.444 3.988 ( -0.531 5.809 2.738) 6.444 4.137 ( -6.233 -0.365 -0.992) 6.322 4.137 ( -6.233 0.365 -0.992) 6.322 4.301 ( 4.873 -4.833 -5.923) 9.065 4.301 ( 4.873 4.833 -5.923) 9.065 4.334 ( 1.438 -1.128 0.993) 2.080 4.334 ( 1.438 1.128 0.993) 2.080 4.499 ( -3.416 -5.427 1.692) 6.632 4.499 ( -3.416 5.427 1.692) 6.632 4.679 ( -1.245 -8.492 1.213) 8.668 4.679 ( -1.245 8.492 1.213) 8.668 4.850 ( 2.538 -1.838 -0.474) 3.169 4.850 ( 2.538 1.838 -0.474) 3.169 4.976 ( 0.718 -1.782 -2.337) 3.025 4.976 ( 0.718 1.782 -2.337) 3.025 5.162 ( -3.981 -9.216 -1.785) 10.196 5.162 ( -3.981 9.216 -1.785) 10.196 5.324 ( 1.114 -2.391 -1.000) 2.821 5.324 ( 1.114 2.391 -1.000) 2.821 5.465 ( -5.159 -6.225 5.119) 9.569 5.465 ( -5.159 6.225 5.119) 9.569 5.676 ( -0.380 -4.713 1.971) 5.122 5.676 ( -0.380 4.713 1.971) 5.122 5.764 ( -1.826 -1.484 -2.209) 3.227 5.764 ( -1.826 1.484 -2.209) 3.227 5.920 ( 2.341 -1.153 -1.722) 3.126 5.920 ( 2.341 1.153 -1.722) 3.126 6.129 ( -1.054 -3.764 -2.783) 4.799 6.129 ( -1.054 3.764 -2.783) 4.799 6.236 ( 0.258 -3.440 3.007) 4.576 6.236 ( 0.258 3.440 3.007) 4.576 6.357 ( -2.156 -1.618 2.923) 3.976 6.357 ( -2.156 1.618 2.923) 3.976 6.441 ( -0.272 -2.426 -4.082) 4.757 6.441 ( -0.272 2.426 -4.082) 4.757 6.653 ( 7.507 -5.482 -1.327) 9.389 6.653 ( 7.507 5.482 -1.327) 9.389 6.800 ( 0.952 -3.493 -0.070) 3.622 6.800 ( 0.952 3.493 -0.070) 3.622 7.019 ( -1.260 -2.110 0.581) 2.525 7.019 ( -1.260 2.110 0.581) 2.525 7.046 ( -1.052 -2.693 -5.481) 6.196 7.046 ( -1.052 2.693 -5.481) 6.196 7.211 ( 1.196 -6.603 -4.434) 8.043 7.211 ( 1.196 6.603 -4.434) 8.043 7.286 ( -2.858 -2.428 2.357) 4.429 7.286 ( -2.858 2.428 2.357) 4.429 7.729 ( -1.971 -5.089 8.276) 9.914 7.729 ( -1.971 5.089 8.276) 9.914 7.978 ( 0.057 -8.552 3.172) 9.121 7.978 ( 0.057 8.552 3.172) 9.121 8.154 ( -0.620 -3.859 -2.731) 4.768 8.154 ( -0.620 3.859 -2.731) 4.768 8.289 ( -0.332 -4.574 -0.983) 4.690 8.289 ( -0.332 4.574 -0.983) 4.690 8.410 ( -3.445 -2.652 -0.023) 4.348 8.410 ( -3.445 2.652 -0.023) 4.348 8.620 ( -0.773 -10.567 -2.505) 10.887 8.620 ( -0.773 10.567 -2.505) 10.887 8.772 ( 1.484 -6.487 0.637) 6.685 8.772 ( 1.484 6.487 0.637) 6.685 9.060 ( -2.274 -7.710 0.518) 8.055 9.060 ( -2.274 7.710 0.518) 8.055 9.196 ( 0.618 -4.151 0.254) 4.204 9.196 ( 0.618 4.151 0.254) 4.204 9.553 ( -2.208 -2.136 0.402) 3.098 9.553 ( -2.208 2.136 0.402) 3.098 9.770 ( -3.154 -3.118 0.753) 4.499 9.770 ( -3.154 3.118 0.753) 4.499 10.118 ( -0.649 -1.409 -5.185) 5.413 10.118 ( -0.649 1.409 -5.185) 5.413 10.437 ( 2.296 -1.127 2.905) 3.871 10.437 ( 2.296 1.127 2.905) 3.871 16.664 ( -2.539 -0.728 0.157) 2.646 16.664 ( -2.539 0.728 0.157) 2.646 16.790 ( 2.336 -1.436 -0.167) 2.747 16.790 ( 2.336 1.436 -0.167) 2.747 17.495 ( -0.294 -0.770 -0.255) 0.862 17.495 ( -0.294 0.770 -0.255) 0.862 17.565 ( 1.514 -1.441 1.488) 2.566 17.565 ( 1.514 1.441 1.488) 2.566 17.957 ( -0.031 -0.701 -0.355) 0.786 17.957 ( -0.031 0.701 -0.355) 0.786 18.047 ( 1.913 -0.667 -0.680) 2.137 18.047 ( 1.913 0.667 -0.680) 2.137 18.490 ( 2.411 -2.025 -1.150) 3.352 18.490 ( 2.411 2.025 -1.150) 3.352 18.641 ( 2.205 -1.564 1.807) 3.252 18.641 ( 2.205 1.564 1.807) 3.252 21.439 ( -0.975 -1.400 0.236) 1.722 21.439 ( -0.975 1.400 0.236) 1.722 21.452 ( 0.961 -1.032 0.158) 1.419 21.452 ( 0.961 1.032 0.158) 1.419 21.835 ( -0.170 -0.210 -0.059) 0.277 21.835 ( -0.170 0.210 -0.059) 0.277 21.845 ( 0.146 -0.160 -0.345) 0.408 21.845 ( 0.146 0.160 -0.345) 0.408 26.836 ( -0.464 -1.676 -0.095) 1.742 26.836 ( -0.464 1.676 -0.095) 1.742 26.865 ( 0.447 -1.438 -0.043) 1.507 26.865 ( 0.447 1.438 -0.043) 1.507 27.333 ( -0.674 -0.183 0.645) 0.951 27.333 ( -0.674 0.183 0.645) 0.951 27.373 ( -0.439 -0.585 -0.281) 0.784 27.373 ( -0.439 0.585 -0.281) 0.784 35.187 ( 1.630 -4.697 1.105) 5.093 35.187 ( 1.629 4.697 1.105) 5.093 35.798 ( 1.848 -5.116 -3.621) 6.535 35.798 ( 1.848 5.116 -3.621) 6.535 36.480 ( -2.731 -6.848 1.709) 7.568 36.480 ( -2.731 6.848 1.709) 7.568 36.815 ( 3.022 -7.594 -0.627) 8.198 36.815 ( 3.022 7.594 -0.627) 8.198 38.253 ( -2.929 -6.606 -0.756) 7.265 38.253 ( -2.929 6.606 -0.756) 7.265 38.311 ( 2.840 -2.754 -0.591) 4.000 38.311 ( 2.840 2.754 -0.591) 4.000 39.907 ( -5.121 -5.871 4.948) 9.229 39.907 ( -5.121 5.871 4.948) 9.229 40.236 ( -2.563 -6.380 -0.978) 6.945 40.236 ( -2.563 6.380 -0.978) 6.945 ======================= Grid point 102 (54/92) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.508 -5.505 -4.150) 7.057 1.685 ( -1.508 5.505 -4.150) 7.057 1.972 ( -6.838 -14.178 2.680) 15.968 1.972 ( -6.838 14.178 2.680) 15.968 2.366 ( 1.513 -2.620 -0.813) 3.133 2.366 ( 1.513 2.620 -0.813) 3.133 2.472 ( 2.143 -9.465 1.642) 9.843 2.472 ( 2.143 9.465 1.642) 9.843 2.623 ( 0.934 -2.843 3.860) 4.884 2.623 ( 0.934 2.843 3.860) 4.884 2.835 ( -5.257 -6.407 -1.637) 8.448 2.835 ( -5.257 6.407 -1.637) 8.448 3.038 ( -2.253 -5.724 -0.563) 6.177 3.038 ( -2.253 5.724 -0.563) 6.177 3.178 ( -0.592 -3.361 3.264) 4.722 3.178 ( -0.592 3.361 3.264) 4.722 3.367 ( -4.888 -1.986 2.330) 5.768 3.367 ( -4.888 1.986 2.330) 5.768 3.495 ( -1.748 -1.755 1.782) 3.052 3.495 ( -1.748 1.755 1.782) 3.052 3.784 ( -2.603 -5.650 0.892) 6.284 3.784 ( -2.603 5.650 0.892) 6.284 3.953 ( -7.631 -3.743 3.294) 9.116 3.953 ( -7.631 3.743 3.294) 9.116 4.052 ( -1.109 -2.218 -4.362) 5.018 4.052 ( -1.109 2.218 -4.362) 5.018 4.275 ( -0.810 -1.656 -0.898) 2.050 4.275 ( -0.810 1.656 -0.898) 2.050 4.363 ( 2.036 -5.525 -0.053) 5.889 4.363 ( 2.036 5.525 -0.053) 5.889 4.514 ( 1.770 -2.558 1.605) 3.500 4.514 ( 1.770 2.558 1.605) 3.500 4.637 ( -2.507 -8.489 -1.839) 9.041 4.637 ( -2.507 8.489 -1.839) 9.041 4.877 ( 1.668 -1.580 -1.857) 2.954 4.877 ( 1.668 1.580 -1.857) 2.954 5.005 ( -0.510 -3.790 6.331) 7.396 5.005 ( -0.510 3.790 6.331) 7.396 5.070 ( -3.244 -10.320 -3.132) 11.262 5.070 ( -3.244 10.320 -3.132) 11.262 5.281 ( -1.733 -3.442 -1.813) 4.258 5.281 ( -1.733 3.442 -1.813) 4.258 5.424 ( -3.833 -2.338 -1.833) 4.850 5.424 ( -3.833 2.338 -1.833) 4.850 5.667 ( -1.912 -3.189 2.295) 4.369 5.667 ( -1.912 3.189 2.295) 4.369 5.726 ( -0.745 -1.192 -1.592) 2.123 5.726 ( -0.745 1.192 -1.592) 2.123 5.932 ( -0.350 -1.421 0.171) 1.473 5.932 ( -0.350 1.421 0.171) 1.473 6.089 ( -2.432 -5.487 0.889) 6.068 6.089 ( -2.432 5.487 0.889) 6.068 6.260 ( -2.066 -2.855 1.496) 3.829 6.260 ( -2.066 2.855 1.496) 3.829 6.351 ( -1.751 -1.686 -1.710) 2.972 6.351 ( -1.751 1.686 -1.710) 2.972 6.375 ( 1.781 -3.469 -1.089) 4.049 6.375 ( 1.781 3.469 -1.089) 4.049 6.712 ( 2.939 -0.710 -6.211) 6.907 6.712 ( 2.939 0.710 -6.211) 6.907 6.851 ( 0.215 -5.729 1.825) 6.016 6.851 ( 0.215 5.729 1.825) 6.016 6.958 ( -2.123 -2.645 -2.062) 3.969 6.958 ( -2.123 2.645 -2.062) 3.969 7.010 ( -0.066 -2.271 1.581) 2.768 7.010 ( -0.066 2.271 1.581) 2.768 7.196 ( 1.823 -4.585 -4.045) 6.380 7.196 ( 1.823 4.585 -4.045) 6.380 7.289 ( 1.495 -2.416 1.523) 3.223 7.289 ( 1.495 2.416 1.523) 3.223 7.745 ( -2.599 -4.795 3.184) 6.316 7.745 ( -2.599 4.795 3.184) 6.316 7.980 ( -8.839 -2.819 4.109) 10.147 7.980 ( -8.839 2.819 4.109) 10.147 8.082 ( -1.468 -3.134 -1.553) 3.793 8.082 ( -1.468 3.134 -1.553) 3.793 8.263 ( -0.952 -3.501 -0.819) 3.720 8.263 ( -0.952 3.501 -0.819) 3.720 8.404 ( 0.575 -2.681 3.690) 4.597 8.404 ( 0.575 2.681 3.690) 4.597 8.580 ( -0.204 -9.692 -3.529) 10.316 8.580 ( -0.204 9.692 -3.529) 10.316 8.785 ( 1.096 -5.018 -1.952) 5.495 8.785 ( 1.096 5.018 -1.952) 5.495 9.021 ( -3.737 -8.428 1.513) 9.342 9.021 ( -3.737 8.428 1.513) 9.342 9.200 ( -1.125 -5.256 0.768) 5.430 9.200 ( -1.125 5.256 0.768) 5.430 9.500 ( -4.366 -2.714 -0.310) 5.151 9.500 ( -4.366 2.714 -0.310) 5.151 9.677 ( -9.099 -4.510 1.508) 10.267 9.677 ( -9.099 4.510 1.508) 10.267 10.016 ( -2.743 -0.665 -5.209) 5.925 10.016 ( -2.743 0.665 -5.209) 5.925 10.543 ( 4.645 -5.548 3.051) 7.852 10.543 ( 4.645 5.548 3.051) 7.852 16.612 ( -3.225 -1.021 0.115) 3.385 16.612 ( -3.225 1.021 0.115) 3.385 16.834 ( 2.475 -1.282 -0.098) 2.789 16.834 ( 2.475 1.282 -0.098) 2.789 17.483 ( -0.813 -3.133 -0.285) 3.250 17.483 ( -0.813 3.133 -0.285) 3.250 17.623 ( 3.184 -4.916 1.446) 6.033 17.623 ( 3.184 4.916 1.446) 6.033 17.969 ( 1.554 -0.944 -0.125) 1.822 17.969 ( 1.554 0.944 -0.125) 1.822 18.104 ( 5.335 -0.430 -0.369) 5.365 18.104 ( 5.335 0.430 -0.369) 5.365 18.537 ( 4.673 -2.935 -1.362) 5.684 18.537 ( 4.673 2.935 -1.362) 5.684 18.738 ( 7.042 -2.255 1.342) 7.515 18.738 ( 7.042 2.255 1.342) 7.515 21.425 ( -0.994 -1.695 0.087) 1.967 21.425 ( -0.994 1.695 0.087) 1.967 21.468 ( 0.752 -0.946 0.134) 1.216 21.468 ( 0.752 0.946 0.134) 1.216 21.830 ( -0.338 -0.259 0.056) 0.429 21.830 ( -0.338 0.259 0.056) 0.429 21.845 ( 0.262 -0.388 -0.393) 0.611 21.845 ( 0.262 0.388 -0.393) 0.611 26.827 ( -0.536 -1.995 0.031) 2.066 26.827 ( -0.536 1.995 0.031) 2.066 26.872 ( 0.505 -1.808 -0.154) 1.883 26.872 ( 0.505 1.808 -0.154) 1.883 27.311 ( -2.260 -0.331 0.126) 2.288 27.311 ( -2.260 0.331 0.126) 2.288 27.363 ( -0.723 -0.356 0.077) 0.810 27.363 ( -0.723 0.356 0.077) 0.810 35.255 ( 4.942 -4.004 1.016) 6.441 35.255 ( 4.942 4.004 1.016) 6.441 35.790 ( 1.933 -2.855 -3.700) 5.057 35.790 ( 1.933 2.855 -3.700) 5.057 36.456 ( -1.813 -6.175 1.341) 6.574 36.456 ( -1.813 6.175 1.341) 6.574 36.885 ( 5.153 -10.149 0.045) 11.382 36.885 ( 5.153 10.149 0.045) 11.382 38.205 ( -1.888 -7.387 0.018) 7.624 38.205 ( -1.888 7.387 0.018) 7.624 38.356 ( 3.076 -3.446 -0.466) 4.643 38.356 ( 3.076 3.446 -0.466) 4.643 39.689 ( -20.461 -5.909 -1.355) 21.340 39.689 ( -20.461 5.909 -1.355) 21.340 40.243 ( -0.915 -12.163 4.564) 13.024 40.243 ( -0.915 12.163 4.564) 13.024 ======================= Grid point 104 (55/92) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -6.522 -8.896 -2.632) 11.340 1.578 ( -6.522 8.896 -2.632) 11.340 1.829 ( -11.335 -18.493 1.398) 21.735 1.829 ( -11.335 18.493 1.398) 21.735 2.343 ( -7.397 -3.371 -2.618) 8.540 2.343 ( -7.397 3.371 -2.618) 8.540 2.463 ( 4.645 -6.006 -2.335) 7.944 2.463 ( 4.645 6.006 -2.335) 7.944 2.752 ( 4.997 -2.539 1.135) 5.719 2.752 ( 4.997 2.539 1.135) 5.719 2.810 ( -0.501 -2.160 3.354) 4.020 2.810 ( -0.501 2.160 3.354) 4.020 2.889 ( -8.841 -4.232 -6.019) 11.502 2.889 ( -8.841 4.232 -6.019) 11.502 3.182 ( -2.071 -1.823 7.941) 8.406 3.182 ( -2.071 1.823 7.941) 8.406 3.303 ( -12.608 -3.558 3.685) 13.609 3.303 ( -12.608 3.558 3.685) 13.609 3.448 ( -2.486 -8.773 3.189) 9.660 3.448 ( -2.486 8.773 3.189) 9.660 3.732 ( -6.273 -3.901 -0.925) 7.445 3.732 ( -6.273 3.901 -0.925) 7.445 3.835 ( -3.318 -3.322 -1.221) 4.851 3.835 ( -3.318 3.322 -1.221) 4.851 4.000 ( -0.699 -4.046 -3.016) 5.095 4.000 ( -0.699 4.046 -3.016) 5.095 4.288 ( 2.560 -4.392 -0.061) 5.084 4.288 ( 2.560 4.392 -0.061) 5.084 4.409 ( 1.686 -2.880 -0.733) 3.417 4.409 ( 1.686 2.880 -0.733) 3.417 4.533 ( -1.419 -6.259 3.310) 7.221 4.533 ( -1.419 6.259 3.310) 7.221 4.630 ( 5.002 -1.885 -2.646) 5.965 4.630 ( 5.002 1.885 -2.646) 5.965 4.856 ( -5.117 -5.072 2.217) 7.538 4.856 ( -5.117 5.072 2.217) 7.538 4.963 ( 0.208 -4.426 -4.723) 6.476 4.963 ( 0.208 4.426 -4.723) 6.476 5.093 ( -1.238 -3.714 2.942) 4.897 5.093 ( -1.238 3.714 2.942) 4.897 5.223 ( -1.688 -6.740 -3.193) 7.647 5.223 ( -1.688 6.740 -3.193) 7.647 5.366 ( 1.244 -3.177 0.741) 3.491 5.366 ( 1.244 3.177 0.741) 3.491 5.642 ( 0.394 -6.028 -1.854) 6.319 5.642 ( 0.394 6.028 -1.854) 6.319 5.735 ( -2.419 -3.345 5.207) 6.645 5.735 ( -2.419 3.345 5.207) 6.645 5.907 ( -1.731 -3.734 -1.184) 4.283 5.907 ( -1.731 3.734 -1.184) 4.283 6.037 ( -5.352 -4.644 1.513) 7.245 6.037 ( -5.352 4.644 1.513) 7.245 6.153 ( -6.487 -0.987 -3.905) 7.636 6.153 ( -6.487 0.987 -3.905) 7.636 6.355 ( 2.430 -2.900 1.482) 4.064 6.355 ( 2.430 2.900 1.482) 4.064 6.473 ( 6.717 -2.504 1.340) 7.293 6.473 ( 6.717 2.504 1.340) 7.293 6.655 ( 0.337 -1.028 -6.720) 6.807 6.655 ( 0.337 1.028 -6.720) 6.807 6.781 ( -4.315 -4.262 -1.285) 6.200 6.781 ( -4.315 4.262 -1.285) 6.200 6.970 ( -0.719 -4.891 2.529) 5.553 6.970 ( -0.719 4.891 2.529) 5.553 7.039 ( 1.285 -3.596 -0.079) 3.820 7.039 ( 1.285 3.596 -0.079) 3.820 7.198 ( 1.619 -1.182 1.519) 2.515 7.198 ( 1.619 1.182 1.519) 2.515 7.350 ( 3.835 -1.263 -0.970) 4.153 7.350 ( 3.835 1.263 -0.970) 4.153 7.721 ( -5.775 -4.462 -1.924) 7.548 7.721 ( -5.775 4.462 -1.924) 7.548 7.815 ( -5.019 -3.474 0.721) 6.146 7.815 ( -5.019 3.474 0.721) 6.146 8.059 ( -3.985 -2.832 2.372) 5.434 8.059 ( -3.985 2.832 2.372) 5.434 8.245 ( -1.716 -2.583 0.513) 3.143 8.245 ( -1.716 2.583 0.513) 3.143 8.470 ( -0.424 -2.245 5.394) 5.858 8.470 ( -0.424 2.245 5.394) 5.858 8.567 ( 5.233 -4.427 -4.321) 8.103 8.567 ( 5.233 4.427 -4.321) 8.103 8.748 ( -2.447 -2.971 -4.491) 5.915 8.748 ( -2.447 2.971 -4.491) 5.915 8.972 ( -3.718 -8.070 1.938) 9.094 8.972 ( -3.718 8.070 1.938) 9.094 9.166 ( -4.177 -5.163 1.271) 6.761 9.166 ( -4.177 5.163 1.271) 6.761 9.388 ( -8.368 -3.002 -0.433) 8.901 9.388 ( -8.368 3.002 -0.433) 8.901 9.551 ( -8.366 -4.498 5.395) 10.924 9.551 ( -8.366 4.498 5.395) 10.924 9.937 ( -0.021 -1.350 -5.555) 5.717 9.937 ( -0.021 1.350 -5.555) 5.717 10.623 ( 1.812 -9.711 0.872) 9.917 10.623 ( 1.812 9.711 0.872) 9.917 16.566 ( -2.301 -1.343 0.182) 2.670 16.566 ( -2.301 1.343 0.182) 2.670 16.862 ( 1.153 -1.088 -0.353) 1.624 16.862 ( 1.153 1.088 -0.353) 1.624 17.465 ( -0.857 -4.109 -0.134) 4.200 17.465 ( -0.857 4.109 -0.134) 4.200 17.690 ( 3.379 -5.171 0.015) 6.177 17.690 ( 3.379 5.171 0.015) 6.177 18.002 ( 1.494 -1.097 1.376) 2.308 18.002 ( 1.494 1.097 1.376) 2.308 18.204 ( 6.212 -0.405 -0.125) 6.227 18.204 ( 6.212 0.405 -0.125) 6.227 18.620 ( 6.948 -3.984 -1.105) 8.085 18.620 ( 6.948 3.984 -1.105) 8.085 18.890 ( 9.180 -2.476 0.487) 9.521 18.890 ( 9.180 2.476 0.487) 9.521 21.406 ( -1.053 -1.503 -0.251) 1.852 21.406 ( -1.053 1.503 -0.251) 1.852 21.481 ( 0.563 -0.760 0.172) 0.961 21.481 ( 0.563 0.760 0.172) 0.961 21.826 ( -0.242 -0.111 -0.090) 0.281 21.826 ( -0.242 0.111 -0.090) 0.281 21.846 ( 0.093 -0.641 0.021) 0.648 21.846 ( 0.093 0.641 0.021) 0.648 26.820 ( -0.431 -2.231 0.215) 2.283 26.820 ( -0.431 2.231 0.215) 2.283 26.879 ( 0.605 -2.024 -0.190) 2.121 26.879 ( 0.605 2.024 -0.190) 2.121 27.270 ( -2.475 -0.253 0.011) 2.488 27.270 ( -2.475 0.253 0.011) 2.488 27.347 ( -1.163 -0.416 0.014) 1.235 27.347 ( -1.163 0.416 0.014) 1.235 35.368 ( 6.885 -3.550 1.058) 7.819 35.368 ( 6.885 3.550 1.058) 7.819 35.784 ( 2.105 -1.611 -3.694) 4.547 35.784 ( 2.105 1.611 -3.694) 4.547 36.454 ( -0.270 -6.101 1.758) 6.355 36.454 ( -0.270 6.101 1.758) 6.355 36.973 ( 4.493 -13.475 0.593) 14.217 36.973 ( 4.493 13.475 0.593) 14.217 38.202 ( 0.870 -5.449 1.586) 5.742 38.202 ( 0.870 5.449 1.586) 5.742 38.398 ( 2.731 -2.685 -1.175) 4.006 38.398 ( 2.731 2.685 -1.175) 4.006 39.275 ( -24.209 -3.931 -3.008) 24.710 39.275 ( -24.209 3.931 -3.008) 24.710 40.245 ( -4.590 -14.707 3.499) 15.800 40.245 ( -4.590 14.707 3.499) 15.800 ======================= Grid point 106 (56/92) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -15.377 -12.416 3.862) 20.138 1.394 ( -15.377 12.416 3.862) 20.138 1.672 ( -8.504 -21.440 2.775) 23.232 1.672 ( -8.504 21.440 2.775) 23.232 2.155 ( -7.765 -0.521 -2.747) 8.253 2.155 ( -7.765 0.521 -2.747) 8.253 2.530 ( 3.033 -12.650 -3.858) 13.569 2.530 ( 3.033 12.650 -3.858) 13.569 2.699 ( 1.329 -3.394 -6.377) 7.345 2.699 ( 1.329 3.394 -6.377) 7.345 2.742 ( -2.444 -5.554 -1.899) 6.358 2.742 ( -2.444 5.554 -1.899) 6.358 2.911 ( 2.731 -5.775 4.173) 7.630 2.911 ( 2.731 5.775 4.173) 7.630 3.079 ( -11.691 -7.977 -1.447) 14.227 3.079 ( -11.691 7.977 -1.447) 14.227 3.264 ( -1.448 -1.508 4.764) 5.202 3.264 ( -1.448 1.508 4.764) 5.202 3.410 ( -6.217 -11.965 0.154) 13.485 3.410 ( -6.217 11.965 0.154) 13.485 3.618 ( -1.186 -8.062 -0.768) 8.185 3.618 ( -1.186 8.062 -0.768) 8.185 3.806 ( -2.054 -1.550 0.177) 2.580 3.806 ( -2.054 1.550 0.177) 2.580 3.977 ( 0.554 -4.598 -0.203) 4.635 3.977 ( 0.554 4.598 -0.203) 4.635 4.304 ( 1.529 -6.089 -4.860) 7.940 4.304 ( 1.529 6.089 -4.860) 7.940 4.405 ( 0.311 -0.220 0.205) 0.433 4.405 ( 0.311 0.220 0.205) 0.433 4.560 ( -3.077 -4.273 4.756) 7.096 4.560 ( -3.077 4.273 4.756) 7.096 4.684 ( 5.167 -2.483 -5.330) 7.828 4.684 ( 5.167 2.483 -5.330) 7.828 4.803 ( -1.323 -2.286 1.485) 3.031 4.803 ( -1.323 2.286 1.485) 3.031 4.929 ( 0.567 -2.042 -3.840) 4.386 4.929 ( 0.567 2.042 -3.840) 4.386 5.057 ( -0.592 -5.592 0.703) 5.667 5.057 ( -0.592 5.592 0.703) 5.667 5.233 ( 1.709 -6.055 0.236) 6.296 5.233 ( 1.709 6.055 0.236) 6.296 5.419 ( -0.093 -4.609 3.301) 5.670 5.419 ( -0.093 4.609 3.301) 5.670 5.662 ( 1.455 -4.503 -0.558) 4.765 5.662 ( 1.455 4.503 -0.558) 4.765 5.728 ( -1.306 -2.228 1.761) 3.126 5.728 ( -1.306 2.228 1.761) 3.126 5.864 ( -2.367 -2.137 0.706) 3.266 5.864 ( -2.367 2.137 0.706) 3.266 5.944 ( -5.911 -3.629 0.918) 6.997 5.944 ( -5.911 3.629 0.918) 6.997 6.055 ( -2.102 -2.932 1.431) 3.881 6.055 ( -2.102 2.932 1.431) 3.881 6.413 ( 2.640 -4.289 -0.839) 5.106 6.413 ( 2.640 4.289 -0.839) 5.106 6.547 ( 1.851 -1.208 -0.528) 2.273 6.547 ( 1.851 1.208 -0.528) 2.273 6.666 ( 3.648 -3.536 -1.256) 5.234 6.666 ( 3.648 3.536 -1.256) 5.234 6.723 ( -0.455 -2.300 0.610) 2.422 6.723 ( -0.455 2.300 0.610) 2.422 6.939 ( -1.207 -3.084 -2.787) 4.328 6.939 ( -1.207 3.084 -2.787) 4.328 7.092 ( 3.087 -2.535 3.567) 5.355 7.092 ( 3.087 2.535 3.567) 5.355 7.252 ( 0.883 -2.311 -0.405) 2.507 7.252 ( 0.883 2.311 -0.405) 2.507 7.392 ( 0.170 -6.462 4.209) 7.714 7.392 ( 0.170 6.462 4.209) 7.714 7.507 ( -10.220 -4.383 -2.323) 11.360 7.507 ( -10.220 4.383 -2.323) 11.360 7.852 ( 4.014 -2.231 -2.551) 5.253 7.852 ( 4.014 2.231 -2.551) 5.253 8.030 ( 0.216 -1.538 1.059) 1.880 8.030 ( 0.216 1.538 1.059) 1.880 8.201 ( -3.619 -2.461 -0.527) 4.408 8.201 ( -3.619 2.461 -0.527) 4.408 8.429 ( -7.610 -4.509 -2.962) 9.328 8.429 ( -7.610 4.509 -2.962) 9.328 8.621 ( -0.510 -1.603 0.394) 1.728 8.621 ( -0.510 1.603 0.394) 1.728 8.700 ( 7.225 -1.547 -1.147) 7.477 8.700 ( 7.225 1.547 -1.147) 7.477 8.942 ( -2.867 -6.518 1.701) 7.321 8.942 ( -2.867 6.518 1.701) 7.321 9.105 ( -3.779 -6.031 1.075) 7.198 9.105 ( -3.779 6.031 1.075) 7.198 9.248 ( -10.580 -6.100 6.000) 13.607 9.248 ( -10.580 6.100 6.000) 13.607 9.519 ( -3.508 -3.309 6.379) 7.997 9.519 ( -3.508 3.309 6.379) 7.997 9.886 ( 1.778 -2.522 -6.952) 7.606 9.886 ( 1.778 2.522 -6.952) 7.606 10.618 ( -0.225 -12.178 -3.998) 12.820 10.618 ( -0.225 12.178 -3.998) 12.820 16.537 ( -1.277 -1.600 -0.212) 2.058 16.537 ( -1.277 1.600 -0.212) 2.058 16.870 ( 0.409 -1.303 -0.226) 1.384 16.870 ( 0.409 1.303 -0.226) 1.384 17.454 ( -0.480 -4.251 0.270) 4.286 17.454 ( -0.480 4.251 0.270) 4.286 17.721 ( 1.835 -3.809 -2.840) 5.094 17.721 ( 1.835 3.809 -2.840) 5.094 18.044 ( 0.488 -1.552 3.167) 3.560 18.044 ( 0.488 1.552 3.167) 3.560 18.287 ( 3.602 -0.449 -0.400) 3.652 18.287 ( 3.602 0.449 -0.400) 3.652 18.739 ( 6.890 -4.294 0.351) 8.126 18.739 ( 6.890 4.294 0.351) 8.126 19.029 ( 6.461 -2.352 -0.304) 6.883 19.029 ( 6.461 2.352 -0.304) 6.883 21.388 ( -0.678 -0.688 -0.250) 0.997 21.388 ( -0.678 0.688 -0.250) 0.997 21.489 ( 0.256 -0.558 0.065) 0.617 21.489 ( 0.256 0.558 0.065) 0.617 21.820 ( -0.132 -0.124 -0.307) 0.356 21.820 ( -0.132 0.124 -0.307) 0.356 21.850 ( 0.026 -0.763 0.695) 1.033 21.850 ( 0.026 0.763 0.695) 1.033 26.818 ( -0.249 -2.271 0.404) 2.320 26.818 ( -0.249 2.271 0.404) 2.320 26.888 ( 0.555 -2.056 -0.179) 2.137 26.888 ( 0.555 2.056 -0.179) 2.137 27.235 ( -1.641 -0.157 0.139) 1.654 27.235 ( -1.641 0.157 0.139) 1.654 27.328 ( -0.866 -0.481 -0.086) 0.994 27.328 ( -0.866 0.481 -0.086) 0.994 35.492 ( 5.193 -2.581 1.751) 6.058 35.492 ( 5.193 2.581 1.751) 6.058 35.782 ( 2.493 -3.542 -3.950) 5.862 35.782 ( 2.493 3.542 -3.950) 5.862 36.486 ( 0.857 -4.976 3.210) 5.984 36.486 ( 0.857 4.976 3.210) 5.984 37.034 ( 1.700 -14.164 0.640) 14.280 37.034 ( 1.700 14.164 0.640) 14.280 38.272 ( 3.718 -2.538 3.204) 5.525 38.272 ( 3.718 2.538 3.204) 5.525 38.419 ( 3.018 -2.666 -3.151) 5.114 38.419 ( 3.018 2.666 -3.151) 5.114 38.866 ( -19.975 -1.670 -1.490) 20.100 38.866 ( -19.975 1.670 -1.490) 20.100 40.160 ( -5.822 -12.724 -2.250) 14.173 40.160 ( -5.822 12.724 -2.250) 14.173 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -13.435 0.000 20.084) 24.163 1.027 ( -1.894 0.000 15.526) 15.641 1.515 ( 12.035 0.000 -14.914) 19.164 1.538 ( 5.300 0.000 -13.137) 14.166 1.862 ( -1.982 0.000 2.391) 3.106 1.906 ( -1.629 0.000 38.691) 38.725 2.016 ( 2.576 0.000 -8.189) 8.585 2.452 ( -11.535 0.000 1.069) 11.584 2.482 ( 13.549 0.000 -1.401) 13.621 2.607 ( -0.524 0.000 -25.438) 25.443 2.679 ( 3.909 0.000 6.822) 7.862 2.739 ( -9.474 0.000 3.951) 10.265 2.756 ( 6.996 0.000 0.323) 7.004 2.870 ( -7.116 0.000 -11.539) 13.557 3.205 ( -4.665 0.000 1.409) 4.873 3.213 ( 0.922 0.000 0.950) 1.324 3.279 ( 4.342 0.000 3.843) 5.799 3.294 ( 3.735 0.000 2.183) 4.327 3.338 ( 6.893 0.000 -5.596) 8.879 3.402 ( -7.654 0.000 -4.810) 9.040 3.611 ( 0.358 0.000 2.855) 2.878 3.648 ( -2.773 0.000 -0.923) 2.922 3.810 ( -4.789 0.000 4.386) 6.494 3.886 ( 1.668 0.000 -0.930) 1.910 3.968 ( 3.849 0.000 0.755) 3.922 4.001 ( 2.854 0.000 -5.657) 6.337 4.120 ( -3.410 0.000 4.329) 5.511 4.238 ( 3.446 0.000 -6.037) 6.952 4.367 ( -1.626 0.000 3.570) 3.923 4.396 ( -3.290 0.000 2.893) 4.381 4.455 ( -0.071 0.000 1.841) 1.842 4.614 ( 6.884 0.000 -12.189) 13.998 4.657 ( -6.035 0.000 2.437) 6.508 4.732 ( -14.485 0.000 1.118) 14.528 4.739 ( 6.377 0.000 -2.148) 6.729 4.787 ( 10.784 0.000 -5.808) 12.248 4.837 ( 6.747 0.000 5.022) 8.410 4.909 ( -0.292 0.000 -4.378) 4.387 5.045 ( 1.074 0.000 1.094) 1.533 5.098 ( -3.251 0.000 -2.975) 4.407 5.227 ( 2.258 0.000 0.891) 2.427 5.247 ( -7.168 0.000 -1.412) 7.305 5.311 ( 5.051 0.000 2.394) 5.590 5.339 ( -3.306 0.000 -0.131) 3.308 5.469 ( -1.364 0.000 -1.648) 2.139 5.469 ( 4.107 0.000 -0.080) 4.108 5.671 ( -5.258 0.000 0.908) 5.336 5.689 ( 1.397 0.000 -1.851) 2.319 5.751 ( -8.015 0.000 0.826) 8.057 5.794 ( 6.490 0.000 -2.625) 7.001 6.098 ( -0.282 0.000 -0.843) 0.889 6.112 ( -0.057 0.000 -2.484) 2.485 6.272 ( -3.121 0.000 4.407) 5.400 6.279 ( 4.230 0.000 2.396) 4.862 6.451 ( -0.774 0.000 7.355) 7.395 6.463 ( 0.138 0.000 7.268) 7.270 6.484 ( -2.789 0.000 4.031) 4.902 6.615 ( -3.544 0.000 1.101) 3.711 6.654 ( 5.112 0.000 -7.374) 8.973 6.708 ( 5.301 0.000 -4.654) 7.055 6.866 ( -2.219 0.000 1.490) 2.673 6.877 ( 3.025 0.000 6.527) 7.194 6.898 ( -0.190 0.000 -1.735) 1.745 6.964 ( -0.895 0.000 3.569) 3.679 6.993 ( 4.684 0.000 0.080) 4.684 7.051 ( 4.318 0.000 -6.759) 8.021 7.238 ( -6.176 0.000 -0.894) 6.240 7.243 ( 4.083 0.000 0.761) 4.153 7.273 ( 5.084 0.000 -0.691) 5.131 7.325 ( -17.210 0.000 -4.778) 17.861 7.593 ( -0.484 0.000 18.795) 18.801 7.637 ( -1.378 0.000 8.675) 8.784 7.788 ( 0.992 0.000 -4.443) 4.553 7.923 ( -0.202 0.000 -3.655) 3.660 8.069 ( 5.022 0.000 2.917) 5.808 8.081 ( 10.964 0.000 -2.164) 11.176 8.085 ( -2.593 0.000 -5.825) 6.376 8.121 ( 3.352 0.000 -1.019) 3.503 8.237 ( -8.713 0.000 2.215) 8.990 8.366 ( -0.484 0.000 -6.586) 6.603 8.514 ( -2.692 0.000 0.853) 2.824 8.545 ( 5.129 0.000 -1.922) 5.477 8.717 ( 5.275 0.000 2.561) 5.864 8.753 ( -1.134 0.000 1.171) 1.630 8.806 ( -3.626 0.000 3.935) 5.351 8.869 ( -4.668 0.000 -1.457) 4.890 9.069 ( 2.948 0.000 5.369) 6.125 9.113 ( 4.908 0.000 -1.348) 5.090 9.151 ( -2.033 0.000 -2.543) 3.256 9.204 ( 0.996 0.000 -7.344) 7.411 9.574 ( -6.731 0.000 6.189) 9.144 9.674 ( 3.492 0.000 -2.541) 4.319 9.899 ( 2.552 0.000 -1.376) 2.899 9.950 ( 0.017 0.000 -6.948) 6.948 10.700 ( -1.320 0.000 21.300) 21.340 11.084 ( -3.856 0.000 -17.192) 17.619 16.479 ( -0.801 0.000 0.896) 1.202 16.500 ( 1.034 0.000 -1.236) 1.611 16.860 ( -1.275 0.000 2.098) 2.455 16.899 ( 1.092 0.000 -1.769) 2.079 17.508 ( -0.301 0.000 0.686) 0.749 17.513 ( 0.241 0.000 0.212) 0.321 17.855 ( 1.980 0.000 0.781) 2.129 17.884 ( -1.618 0.000 -2.125) 2.671 18.067 ( -0.006 0.000 2.061) 2.061 18.108 ( -0.092 0.000 -2.120) 2.122 18.207 ( 1.468 0.000 -0.011) 1.468 18.211 ( -2.782 0.000 -0.297) 2.798 18.621 ( -0.050 0.000 5.241) 5.241 18.724 ( 0.081 0.000 -4.971) 4.972 18.975 ( 0.026 0.000 2.300) 2.300 19.017 ( 0.120 0.000 -1.831) 1.835 21.369 ( 0.029 0.000 0.430) 0.431 21.378 ( 0.372 0.000 -0.446) 0.580 21.481 ( 0.457 0.000 0.514) 0.687 21.492 ( -0.386 0.000 -0.514) 0.643 21.821 ( 0.327 0.000 -0.100) 0.342 21.821 ( -0.254 0.000 -0.118) 0.280 21.898 ( -0.458 0.000 1.457) 1.528 21.924 ( 0.573 0.000 -1.130) 1.267 26.773 ( -0.281 0.000 0.841) 0.887 26.790 ( 0.322 0.000 -0.844) 0.903 26.954 ( -0.381 0.000 0.153) 0.410 26.956 ( 0.349 0.000 -0.069) 0.356 27.191 ( -0.123 0.000 0.587) 0.600 27.203 ( 0.004 0.000 -0.593) 0.593 27.285 ( -0.253 0.000 0.665) 0.711 27.298 ( 0.222 0.000 -0.624) 0.662 35.327 ( 6.821 0.000 2.825) 7.383 35.378 ( -7.836 0.000 -2.245) 8.152 35.727 ( 5.565 0.000 2.297) 6.020 35.773 ( -3.704 0.000 -2.214) 4.315 36.295 ( -1.431 0.000 1.670) 2.199 36.324 ( 1.328 0.000 -1.189) 1.783 37.607 ( -18.260 0.000 3.995) 18.691 37.685 ( 36.595 0.000 -3.650) 36.776 38.304 ( 2.546 0.000 0.559) 2.607 38.331 ( -11.589 0.000 -1.859) 11.737 38.511 ( -10.721 0.000 2.116) 10.928 38.535 ( 9.693 0.000 -1.005) 9.745 38.620 ( -13.475 0.000 1.703) 13.582 38.679 ( 8.232 0.000 -3.826) 9.078 39.384 ( 15.180 0.000 11.362) 18.961 39.605 ( -21.360 0.000 -10.604) 23.847 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 17.542 0.000 9.050) 19.739 1.228 ( 4.287 0.000 14.809) 15.417 1.474 ( 4.427 0.000 -13.004) 13.737 1.615 ( 15.248 0.000 -20.716) 25.723 1.965 ( 6.490 0.000 8.275) 10.517 2.065 ( 14.811 0.000 -6.606) 16.217 2.354 ( 7.684 0.000 -8.648) 11.569 2.385 ( 6.742 0.000 31.496) 32.210 2.439 ( 13.728 0.000 -16.899) 21.772 2.560 ( -7.902 0.000 -0.763) 7.939 2.653 ( -5.761 0.000 -7.170) 9.197 2.759 ( 12.417 0.000 1.042) 12.461 2.879 ( 3.469 0.000 1.578) 3.811 2.902 ( 11.099 0.000 11.186) 15.759 3.144 ( -2.241 0.000 -2.330) 3.232 3.185 ( -5.047 0.000 3.451) 6.114 3.247 ( -2.747 0.000 -2.815) 3.933 3.318 ( 4.069 0.000 -2.459) 4.754 3.391 ( 6.255 0.000 -5.796) 8.527 3.506 ( 10.185 0.000 4.477) 11.126 3.604 ( -5.646 0.000 5.659) 7.994 3.618 ( 1.817 0.000 -2.543) 3.126 3.847 ( 3.223 0.000 1.975) 3.780 3.865 ( -4.998 0.000 1.777) 5.304 4.018 ( 6.948 0.000 -8.245) 10.783 4.030 ( 2.727 0.000 -3.529) 4.460 4.103 ( -3.828 0.000 6.878) 7.872 4.169 ( -3.416 0.000 -4.462) 5.619 4.379 ( -7.754 0.000 11.467) 13.843 4.407 ( 3.285 0.000 0.845) 3.392 4.431 ( -0.402 0.000 -3.568) 3.590 4.524 ( -10.704 0.000 4.165) 11.485 4.596 ( 5.220 0.000 -10.699) 11.905 4.622 ( -2.039 0.000 4.233) 4.699 4.732 ( -4.174 0.000 -2.496) 4.864 4.848 ( 4.431 0.000 -7.829) 8.996 4.919 ( 1.348 0.000 -0.172) 1.359 4.922 ( 4.518 0.000 -2.470) 5.149 5.088 ( 4.533 0.000 -2.345) 5.103 5.118 ( -4.766 0.000 -0.015) 4.766 5.183 ( 4.981 0.000 7.301) 8.838 5.263 ( 1.360 0.000 2.345) 2.710 5.346 ( -0.786 0.000 -5.796) 5.849 5.365 ( -2.793 0.000 5.285) 5.978 5.406 ( 4.770 0.000 0.952) 4.864 5.502 ( -0.033 0.000 -2.298) 2.298 5.620 ( -3.741 0.000 3.683) 5.250 5.723 ( 1.916 0.000 4.052) 4.482 5.747 ( 5.028 0.000 2.356) 5.553 5.859 ( 2.941 0.000 -2.929) 4.150 6.095 ( -0.629 0.000 -0.612) 0.877 6.146 ( 7.022 0.000 0.599) 7.048 6.186 ( -8.400 0.000 2.402) 8.737 6.310 ( -2.560 0.000 -5.947) 6.475 6.427 ( -1.046 0.000 0.344) 1.101 6.479 ( -4.250 0.000 6.459) 7.732 6.546 ( 1.180 0.000 -1.827) 2.175 6.597 ( -1.982 0.000 2.030) 2.837 6.621 ( -0.327 0.000 -4.202) 4.215 6.709 ( 3.122 0.000 -6.466) 7.181 6.819 ( -3.665 0.000 3.356) 4.969 6.824 ( -4.304 0.000 -5.764) 7.194 6.929 ( -2.267 0.000 -6.739) 7.111 6.933 ( -3.173 0.000 4.343) 5.379 7.046 ( 7.513 0.000 -0.117) 7.514 7.064 ( -2.319 0.000 -3.614) 4.295 7.071 ( -1.690 0.000 -1.112) 2.023 7.302 ( 4.804 0.000 7.527) 8.930 7.314 ( 4.774 0.000 3.570) 5.961 7.527 ( 9.685 0.000 4.831) 10.823 7.652 ( -2.671 0.000 -2.313) 3.533 7.726 ( -6.372 0.000 13.962) 15.347 7.744 ( 3.310 0.000 -7.021) 7.762 7.818 ( -1.730 0.000 -1.709) 2.432 7.965 ( -2.515 0.000 -6.604) 7.067 8.018 ( -6.117 0.000 -5.922) 8.514 8.124 ( 1.783 0.000 -1.939) 2.634 8.213 ( 9.161 0.000 -3.540) 9.821 8.290 ( 2.959 0.000 4.825) 5.660 8.324 ( -0.378 0.000 1.519) 1.565 8.444 ( -3.762 0.000 1.731) 4.141 8.536 ( -1.455 0.000 -2.357) 2.770 8.731 ( 0.598 0.000 -2.821) 2.884 8.780 ( -0.209 0.000 2.366) 2.376 8.928 ( 5.790 0.000 10.228) 11.753 8.951 ( 12.029 0.000 -3.024) 12.403 9.128 ( 3.777 0.000 -5.374) 6.568 9.153 ( 5.085 0.000 -10.075) 11.286 9.209 ( 6.411 0.000 0.291) 6.418 9.241 ( 10.275 0.000 2.256) 10.520 9.556 ( -3.709 0.000 6.551) 7.527 9.722 ( 3.698 0.000 0.257) 3.707 9.899 ( 2.930 0.000 -6.725) 7.336 9.945 ( 2.926 0.000 1.416) 3.251 10.883 ( -0.014 0.000 -15.084) 15.084 10.936 ( 0.309 0.000 22.392) 22.395 16.484 ( 0.348 0.000 0.936) 0.999 16.511 ( 1.730 0.000 -1.345) 2.191 16.852 ( -2.262 0.000 2.204) 3.158 16.890 ( 0.130 0.000 -1.980) 1.984 17.504 ( -0.665 0.000 0.350) 0.752 17.511 ( -0.463 0.000 -0.329) 0.568 17.839 ( -1.148 0.000 -1.698) 2.050 17.898 ( 1.785 0.000 1.364) 2.247 18.081 ( -0.687 0.000 -1.665) 1.801 18.084 ( -0.592 0.000 1.933) 2.021 18.160 ( -3.453 0.000 0.686) 3.521 18.222 ( -0.542 0.000 1.066) 1.196 18.601 ( -7.175 0.000 -5.724) 9.179 18.605 ( -7.874 0.000 5.426) 9.563 18.936 ( -6.605 0.000 -2.387) 7.023 18.937 ( -7.124 0.000 2.248) 7.470 21.380 ( 0.762 0.000 0.648) 1.001 21.380 ( 0.635 0.000 -1.029) 1.209 21.481 ( -0.083 0.000 -0.499) 0.506 21.496 ( 0.608 0.000 0.335) 0.694 21.816 ( -0.249 0.000 -0.048) 0.254 21.825 ( 0.219 0.000 -0.052) 0.225 21.897 ( -1.290 0.000 0.825) 1.532 21.909 ( -0.636 0.000 -0.973) 1.163 26.777 ( -0.287 0.000 0.772) 0.824 26.785 ( 0.228 0.000 -0.856) 0.886 26.946 ( -0.560 0.000 0.191) 0.592 26.957 ( -0.056 0.000 -0.185) 0.194 27.211 ( 1.555 0.000 0.683) 1.699 27.213 ( 1.709 0.000 -0.535) 1.791 27.295 ( 0.670 0.000 0.775) 1.024 27.300 ( 0.786 0.000 -0.780) 1.107 35.209 ( -8.909 0.000 -1.658) 9.062 35.458 ( 4.091 0.000 3.455) 5.355 35.650 ( -6.908 0.000 -4.257) 8.114 35.820 ( 3.554 0.000 0.769) 3.636 36.264 ( -3.222 0.000 1.502) 3.555 36.306 ( -1.358 0.000 -1.348) 1.914 37.248 ( -16.839 0.000 -7.754) 18.539 37.726 ( -15.428 0.000 1.524) 15.503 38.184 ( -7.444 0.000 2.769) 7.942 38.399 ( -6.735 0.000 -2.606) 7.222 38.605 ( 17.186 0.000 4.090) 17.666 38.635 ( 4.449 0.000 -2.597) 5.151 38.724 ( 28.197 0.000 -4.013) 28.481 38.959 ( 20.710 0.000 4.252) 21.142 39.301 ( -5.066 0.000 -9.261) 10.556 39.903 ( 26.124 0.000 18.431) 31.971 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.267 0.000 -13.975) 15.752 1.431 ( 2.689 0.000 9.224) 9.608 1.507 ( 4.599 0.000 -18.703) 19.260 1.534 ( 15.028 0.000 1.900) 15.148 2.216 ( 8.196 0.000 8.478) 11.792 2.248 ( 2.924 0.000 2.086) 3.592 2.424 ( -2.802 0.000 0.642) 2.875 2.476 ( -0.181 0.000 1.298) 1.311 2.536 ( 8.153 0.000 1.805) 8.350 2.729 ( 24.560 0.000 -12.786) 27.689 2.760 ( 6.328 0.000 13.371) 14.793 2.862 ( -3.262 0.000 1.036) 3.422 2.922 ( -4.819 0.000 5.892) 7.612 3.108 ( 7.021 0.000 -5.058) 8.653 3.133 ( 14.537 0.000 2.646) 14.776 3.305 ( 9.409 0.000 5.752) 11.028 3.319 ( 12.367 0.000 -1.500) 12.458 3.361 ( 3.359 0.000 -0.859) 3.467 3.419 ( 2.761 0.000 -4.556) 5.327 3.600 ( -0.940 0.000 6.356) 6.425 3.619 ( 2.709 0.000 -6.580) 7.116 3.651 ( 3.198 0.000 -1.735) 3.639 3.797 ( -5.801 0.000 4.914) 7.603 3.899 ( 0.080 0.000 0.491) 0.497 3.960 ( -6.248 0.000 -1.671) 6.468 3.992 ( -3.395 0.000 1.637) 3.769 4.114 ( 0.261 0.000 2.955) 2.967 4.155 ( 8.837 0.000 -7.150) 11.367 4.424 ( -6.938 0.000 7.682) 10.351 4.450 ( 6.009 0.000 1.623) 6.224 4.466 ( 3.587 0.000 -1.634) 3.942 4.475 ( -0.167 0.000 12.468) 12.470 4.568 ( 4.149 0.000 -9.253) 10.140 4.632 ( -0.487 0.000 -3.708) 3.739 4.667 ( 0.626 0.000 4.749) 4.790 4.866 ( 4.744 0.000 -4.850) 6.784 4.910 ( -0.401 0.000 -0.262) 0.479 4.928 ( 0.811 0.000 -0.713) 1.080 5.015 ( -6.534 0.000 -0.415) 6.547 5.079 ( -4.859 0.000 -4.638) 6.717 5.249 ( 3.661 0.000 -0.363) 3.679 5.319 ( -3.127 0.000 2.623) 4.082 5.406 ( 4.689 0.000 2.722) 5.422 5.416 ( -0.285 0.000 4.230) 4.239 5.456 ( 2.373 0.000 2.405) 3.379 5.514 ( 6.508 0.000 0.503) 6.527 5.632 ( -0.597 0.000 5.335) 5.369 5.832 ( 3.644 0.000 -3.705) 5.197 5.844 ( 5.606 0.000 1.073) 5.708 5.907 ( 2.081 0.000 6.404) 6.733 6.017 ( -4.667 0.000 1.572) 4.925 6.148 ( -1.849 0.000 4.548) 4.909 6.169 ( -3.134 0.000 -5.777) 6.573 6.274 ( 6.702 0.000 -2.891) 7.299 6.415 ( -5.395 0.000 -4.055) 6.749 6.421 ( -2.835 0.000 1.516) 3.215 6.489 ( -1.440 0.000 -0.479) 1.517 6.562 ( 2.597 0.000 -6.214) 6.735 6.610 ( 1.497 0.000 -3.997) 4.268 6.621 ( -7.874 0.000 -4.608) 9.123 6.697 ( 0.990 0.000 -3.004) 3.163 6.827 ( 1.809 0.000 -0.649) 1.922 6.921 ( 1.996 0.000 0.963) 2.217 6.948 ( -1.318 0.000 5.110) 5.278 6.998 ( -1.317 0.000 4.262) 4.460 7.077 ( 3.237 0.000 -7.179) 7.875 7.147 ( 7.747 0.000 -8.196) 11.278 7.339 ( -2.742 0.000 -0.876) 2.878 7.402 ( -6.288 0.000 -2.583) 6.798 7.489 ( -0.600 0.000 6.064) 6.094 7.665 ( -6.314 0.000 -1.059) 6.402 7.714 ( 3.035 0.000 -0.574) 3.089 7.803 ( 6.512 0.000 -1.355) 6.651 7.822 ( -1.951 0.000 -1.165) 2.272 7.877 ( -0.226 0.000 -3.016) 3.025 7.989 ( 7.206 0.000 4.482) 8.486 8.105 ( -0.003 0.000 -4.784) 4.784 8.344 ( 7.045 0.000 1.622) 7.229 8.353 ( -0.258 0.000 3.681) 3.690 8.362 ( -1.151 0.000 6.783) 6.880 8.453 ( 1.437 0.000 2.154) 2.589 8.508 ( 2.188 0.000 -2.785) 3.542 8.718 ( 1.823 0.000 -3.160) 3.648 8.807 ( 0.169 0.000 2.536) 2.542 9.056 ( 7.010 0.000 -8.435) 10.967 9.109 ( 3.647 0.000 0.099) 3.648 9.164 ( 5.566 0.000 2.458) 6.085 9.222 ( 13.494 0.000 -4.093) 14.102 9.339 ( 8.706 0.000 0.991) 8.763 9.409 ( 8.189 0.000 -1.391) 8.306 9.580 ( -1.384 0.000 5.476) 5.649 9.785 ( -0.426 0.000 5.288) 5.305 9.917 ( 8.882 0.000 -8.017) 11.965 10.023 ( 2.695 0.000 3.718) 4.592 10.739 ( 0.260 0.000 -12.789) 12.792 11.109 ( -7.439 0.000 16.994) 18.551 16.511 ( 1.624 0.000 0.992) 1.903 16.527 ( 2.119 0.000 -1.556) 2.629 16.831 ( -3.042 0.000 2.154) 3.727 16.859 ( -0.972 0.000 -2.328) 2.523 17.494 ( -0.681 0.000 -0.566) 0.885 17.498 ( -0.457 0.000 0.252) 0.522 17.813 ( -0.043 0.000 -1.038) 1.039 17.942 ( 1.232 0.000 1.745) 2.136 18.050 ( -0.837 0.000 -1.642) 1.843 18.087 ( -1.444 0.000 1.773) 2.286 18.107 ( -3.810 0.000 0.820) 3.897 18.203 ( -2.847 0.000 0.297) 2.862 18.406 ( -7.615 0.000 -4.977) 9.097 18.497 ( -10.684 0.000 4.614) 11.638 18.770 ( -9.125 0.000 -2.222) 9.391 18.807 ( -10.578 0.000 2.594) 10.891 21.378 ( 0.531 0.000 -0.895) 1.041 21.408 ( 0.806 0.000 1.626) 1.814 21.482 ( 0.565 0.000 0.077) 0.570 21.506 ( 0.335 0.000 0.112) 0.354 21.814 ( -0.035 0.000 0.102) 0.108 21.826 ( 0.076 0.000 -0.138) 0.158 21.874 ( -1.397 0.000 -0.518) 1.490 21.888 ( -0.802 0.000 -0.731) 1.085 26.779 ( -0.280 0.000 0.543) 0.611 26.780 ( 0.257 0.000 -0.756) 0.799 26.943 ( -0.126 0.000 0.345) 0.367 26.953 ( -0.017 0.000 -0.186) 0.187 27.244 ( 2.515 0.000 -0.490) 2.563 27.252 ( 2.265 0.000 0.652) 2.357 27.311 ( 1.589 0.000 -0.603) 1.700 27.322 ( 1.322 0.000 0.815) 1.553 35.063 ( -7.238 0.000 0.358) 7.246 35.464 ( -6.963 0.000 -6.681) 9.649 35.531 ( 0.442 0.000 3.308) 3.337 35.864 ( 2.153 0.000 -1.328) 2.530 36.266 ( -1.148 0.000 -1.665) 2.023 36.268 ( 1.262 0.000 3.046) 3.297 36.955 ( -5.841 0.000 -10.932) 12.395 37.496 ( -15.217 0.000 4.399) 15.840 38.126 ( -4.746 0.000 4.955) 6.861 38.259 ( -4.187 0.000 -4.802) 6.371 38.643 ( 0.928 0.000 -3.363) 3.489 38.873 ( 4.456 0.000 10.217) 11.146 39.088 ( 15.722 0.000 -12.350) 19.992 39.311 ( 23.280 0.000 -4.383) 23.689 39.358 ( 18.180 0.000 5.903) 19.114 40.520 ( 15.786 0.000 22.636) 27.597 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 8.524 0.000 -6.526) 10.736 1.465 ( 12.724 0.000 -10.286) 16.361 1.567 ( -1.382 0.000 11.183) 11.269 1.786 ( 16.282 0.000 -4.438) 16.876 2.202 ( -4.692 0.000 1.290) 4.866 2.279 ( -3.414 0.000 -2.472) 4.215 2.423 ( -5.087 0.000 3.463) 6.154 2.490 ( -2.272 0.000 0.713) 2.381 2.682 ( -1.790 0.000 0.607) 1.890 2.766 ( 5.978 0.000 4.838) 7.691 2.789 ( -12.425 0.000 3.565) 12.926 2.940 ( 7.548 0.000 -1.676) 7.732 2.943 ( 1.933 0.000 6.735) 7.006 3.295 ( 0.180 0.000 -0.152) 0.236 3.363 ( 3.992 0.000 -6.071) 7.266 3.379 ( 6.918 0.000 0.668) 6.950 3.415 ( -0.677 0.000 2.516) 2.605 3.506 ( 14.837 0.000 -6.411) 16.163 3.507 ( 10.476 0.000 -0.792) 10.505 3.596 ( -2.999 0.000 -2.890) 4.165 3.628 ( 7.086 0.000 -0.107) 7.087 3.727 ( 7.473 0.000 3.553) 8.275 3.796 ( -3.372 0.000 6.935) 7.711 3.860 ( -0.827 0.000 -0.417) 0.926 3.871 ( -1.266 0.000 1.236) 1.769 3.988 ( 0.259 0.000 1.167) 1.195 4.187 ( 2.362 0.000 1.585) 2.844 4.234 ( 9.003 0.000 -7.409) 11.660 4.386 ( -6.099 0.000 6.918) 9.223 4.458 ( 0.326 0.000 -7.263) 7.271 4.536 ( 6.209 0.000 -7.806) 9.974 4.600 ( 7.850 0.000 2.499) 8.238 4.682 ( 2.344 0.000 15.702) 15.876 4.697 ( -0.508 0.000 0.008) 0.508 4.708 ( 8.118 0.000 0.108) 8.119 4.880 ( -0.958 0.000 -1.862) 2.094 4.894 ( -5.799 0.000 0.076) 5.799 4.944 ( 1.016 0.000 0.133) 1.025 4.945 ( -1.278 0.000 -3.476) 3.703 4.963 ( 2.374 0.000 6.455) 6.877 5.206 ( -5.052 0.000 -1.145) 5.180 5.271 ( -1.662 0.000 -1.152) 2.022 5.426 ( 1.124 0.000 -2.075) 2.360 5.542 ( 6.607 0.000 4.461) 7.972 5.555 ( -2.409 0.000 7.189) 7.582 5.662 ( 8.185 0.000 0.970) 8.242 5.670 ( -1.798 0.000 3.587) 4.012 5.828 ( -2.964 0.000 -0.701) 3.046 5.834 ( 2.549 0.000 -0.806) 2.673 6.000 ( -0.277 0.000 5.498) 5.505 6.095 ( 4.139 0.000 4.135) 5.851 6.104 ( 0.467 0.000 -2.394) 2.439 6.188 ( 1.246 0.000 5.090) 5.240 6.287 ( 0.479 0.000 -4.898) 4.921 6.338 ( -1.322 0.000 2.029) 2.421 6.363 ( -0.861 0.000 -8.441) 8.485 6.415 ( -5.732 0.000 -0.252) 5.737 6.468 ( -0.711 0.000 -0.447) 0.840 6.587 ( 4.059 0.000 -3.494) 5.356 6.668 ( -1.140 0.000 -2.217) 2.493 6.669 ( 4.244 0.000 0.201) 4.249 6.852 ( 1.957 0.000 -4.980) 5.351 6.940 ( 0.376 0.000 -3.274) 3.295 6.946 ( -0.131 0.000 2.771) 2.774 7.029 ( 0.006 0.000 -4.210) 4.210 7.104 ( -0.331 0.000 -7.919) 7.926 7.123 ( 6.484 0.000 5.786) 8.690 7.268 ( -1.483 0.000 -4.119) 4.378 7.291 ( -3.280 0.000 0.059) 3.280 7.538 ( -5.040 0.000 9.242) 10.527 7.540 ( -3.301 0.000 -5.022) 6.009 7.714 ( 1.584 0.000 -6.145) 6.346 7.751 ( -0.241 0.000 -4.548) 4.555 7.871 ( 2.528 0.000 -1.472) 2.925 7.900 ( 1.696 0.000 -0.168) 1.704 8.034 ( -0.573 0.000 -6.489) 6.514 8.193 ( 5.760 0.000 8.482) 10.253 8.391 ( 0.024 0.000 4.687) 4.687 8.399 ( 0.566 0.000 2.720) 2.778 8.449 ( -1.123 0.000 5.119) 5.241 8.513 ( 2.683 0.000 2.559) 3.708 8.559 ( 6.015 0.000 -1.346) 6.164 8.726 ( 2.786 0.000 -2.806) 3.954 8.833 ( 0.620 0.000 0.703) 0.937 9.085 ( 7.912 0.000 -7.913) 11.190 9.106 ( 0.423 0.000 -3.102) 3.131 9.295 ( 4.738 0.000 2.888) 5.549 9.449 ( 12.680 0.000 1.415) 12.759 9.489 ( 5.861 0.000 -3.342) 6.747 9.504 ( 8.026 0.000 1.260) 8.124 9.613 ( -0.085 0.000 2.481) 2.483 9.830 ( -1.580 0.000 7.304) 7.473 9.998 ( 9.112 0.000 -7.200) 11.613 10.097 ( 0.804 0.000 3.560) 3.650 10.619 ( -0.782 0.000 -7.967) 8.005 11.023 ( -15.989 0.000 5.724) 16.983 16.552 ( 2.687 0.000 -1.330) 2.998 16.555 ( 2.152 0.000 0.943) 2.350 16.798 ( -3.458 0.000 1.920) 3.955 16.812 ( -1.298 0.000 -2.469) 2.789 17.483 ( -0.206 0.000 -0.098) 0.228 17.494 ( -0.336 0.000 0.246) 0.416 17.819 ( 1.283 0.000 0.054) 1.284 17.960 ( -0.859 0.000 0.252) 0.895 18.028 ( -0.768 0.000 -0.057) 0.770 18.052 ( -2.501 0.000 -0.053) 2.501 18.064 ( -3.264 0.000 0.669) 3.332 18.144 ( -2.437 0.000 -1.503) 2.864 18.273 ( -3.602 0.000 -1.881) 4.063 18.367 ( -9.227 0.000 3.117) 9.740 18.617 ( -6.055 0.000 -1.153) 6.163 18.664 ( -9.352 0.000 2.952) 9.807 21.381 ( 0.729 0.000 -0.476) 0.871 21.424 ( -0.635 0.000 0.842) 1.055 21.503 ( 0.645 0.000 1.448) 1.585 21.512 ( 0.317 0.000 0.133) 0.343 21.816 ( 0.112 0.000 0.155) 0.191 21.825 ( 0.084 0.000 -0.255) 0.268 21.848 ( -0.492 0.000 -1.013) 1.127 21.867 ( -0.771 0.000 -0.583) 0.966 26.778 ( 0.338 0.000 -0.596) 0.685 26.779 ( -0.296 0.000 0.285) 0.411 26.949 ( 0.217 0.000 0.505) 0.550 26.956 ( 0.243 0.000 0.212) 0.323 27.282 ( 2.395 0.000 -0.295) 2.413 27.293 ( 1.793 0.000 0.371) 1.831 27.339 ( 1.791 0.000 0.120) 1.795 27.350 ( 0.922 0.000 0.715) 1.167 34.981 ( -4.366 0.000 2.689) 5.128 35.294 ( -4.532 0.000 -6.659) 8.055 35.573 ( 0.315 0.000 4.244) 4.256 35.868 ( 1.426 0.000 -3.459) 3.741 36.238 ( 0.038 0.000 -1.530) 1.531 36.334 ( 1.040 0.000 2.570) 2.773 36.822 ( 1.954 0.000 -6.793) 7.069 37.298 ( -13.043 0.000 2.369) 13.256 38.113 ( -4.131 0.000 5.606) 6.963 38.170 ( -0.233 0.000 -4.734) 4.740 38.619 ( 1.242 0.000 -3.239) 3.469 38.868 ( -5.445 0.000 -1.927) 5.776 39.307 ( 14.883 0.000 2.678) 15.122 39.653 ( 11.074 0.000 1.989) 11.251 39.743 ( 25.932 0.000 1.448) 25.972 40.809 ( -3.747 0.000 11.960) 12.533 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -4.843 0.000 7.497) 8.925 1.577 ( 12.639 0.000 -0.580) 12.652 1.739 ( 13.796 0.000 6.203) 15.126 1.923 ( 3.681 0.000 -5.451) 6.578 2.126 ( -4.106 0.000 -9.883) 10.702 2.137 ( -6.687 0.000 -1.365) 6.825 2.371 ( 1.443 0.000 1.608) 2.161 2.448 ( 1.778 0.000 -0.717) 1.917 2.598 ( -12.094 0.000 1.326) 12.167 2.610 ( -4.890 0.000 -4.339) 6.538 2.893 ( 2.075 0.000 4.078) 4.576 2.991 ( -0.788 0.000 0.855) 1.163 3.119 ( 4.228 0.000 10.089) 10.939 3.268 ( -2.312 0.000 -0.386) 2.344 3.324 ( 4.079 0.000 -1.632) 4.394 3.381 ( -6.205 0.000 4.238) 7.514 3.423 ( 6.724 0.000 -7.330) 9.947 3.502 ( -5.379 0.000 -0.619) 5.414 3.601 ( 2.710 0.000 0.102) 2.712 3.658 ( 3.821 0.000 -0.874) 3.920 3.747 ( -0.432 0.000 1.057) 1.142 3.774 ( 0.662 0.000 -1.802) 1.919 3.777 ( -1.804 0.000 6.562) 6.805 3.973 ( 6.394 0.000 -0.162) 6.396 4.001 ( 0.560 0.000 -0.891) 1.052 4.002 ( 8.936 0.000 2.385) 9.249 4.168 ( -3.137 0.000 -2.270) 3.872 4.264 ( 3.975 0.000 -9.938) 10.703 4.365 ( -6.061 0.000 8.203) 10.200 4.424 ( 4.102 0.000 -1.998) 4.563 4.566 ( 6.594 0.000 -7.512) 9.995 4.602 ( -5.692 0.000 -0.502) 5.714 4.709 ( 2.099 0.000 -2.669) 3.395 4.769 ( -2.072 0.000 -4.510) 4.963 4.817 ( -0.358 0.000 2.648) 2.672 4.836 ( 0.618 0.000 6.528) 6.557 4.906 ( 2.165 0.000 4.928) 5.383 4.968 ( -0.652 0.000 6.258) 6.292 4.984 ( 1.448 0.000 3.289) 3.593 5.096 ( 5.798 0.000 -2.098) 6.166 5.172 ( 1.668 0.000 -1.135) 2.018 5.230 ( 0.877 0.000 -0.230) 0.907 5.419 ( 4.515 0.000 -4.752) 6.555 5.497 ( -12.057 0.000 4.817) 12.984 5.663 ( -2.831 0.000 4.957) 5.709 5.704 ( 0.018 0.000 -1.931) 1.931 5.710 ( 6.675 0.000 4.393) 7.991 5.826 ( 0.385 0.000 5.133) 5.147 5.936 ( -1.131 0.000 1.968) 2.270 5.999 ( 2.220 0.000 2.366) 3.245 6.130 ( -5.591 0.000 6.866) 8.854 6.152 ( 4.170 0.000 1.204) 4.340 6.214 ( 1.099 0.000 -7.265) 7.348 6.268 ( 1.613 0.000 -1.280) 2.060 6.286 ( 0.712 0.000 -3.630) 3.699 6.373 ( -0.358 0.000 3.895) 3.912 6.392 ( -2.107 0.000 4.288) 4.778 6.465 ( 0.031 0.000 1.586) 1.587 6.603 ( 1.371 0.000 -2.283) 2.663 6.637 ( 1.381 0.000 -2.349) 2.725 6.702 ( -2.217 0.000 -15.269) 15.429 6.704 ( 3.367 0.000 -6.244) 7.094 6.985 ( 1.352 0.000 2.920) 3.217 6.989 ( 0.084 0.000 -0.567) 0.573 7.032 ( 0.017 0.000 -2.714) 2.714 7.044 ( 4.490 0.000 6.452) 7.861 7.191 ( -2.145 0.000 -3.964) 4.507 7.242 ( -3.361 0.000 -0.360) 3.381 7.285 ( 3.350 0.000 4.541) 5.643 7.495 ( 3.777 0.000 -1.961) 4.256 7.508 ( -8.017 0.000 5.431) 9.683 7.636 ( 0.713 0.000 -10.578) 10.602 7.752 ( 1.339 0.000 1.434) 1.962 7.861 ( -0.921 0.000 -2.094) 2.287 7.886 ( -1.770 0.000 -1.442) 2.283 7.960 ( 0.422 0.000 -6.746) 6.759 8.321 ( 1.612 0.000 4.616) 4.889 8.425 ( -0.909 0.000 1.643) 1.878 8.444 ( 0.877 0.000 1.988) 2.173 8.452 ( -1.001 0.000 0.630) 1.182 8.607 ( 2.160 0.000 6.236) 6.599 8.624 ( 1.114 0.000 1.233) 1.662 8.745 ( 1.985 0.000 -1.660) 2.588 8.837 ( 0.593 0.000 -2.105) 2.187 9.083 ( -2.188 0.000 1.958) 2.937 9.144 ( 6.018 0.000 -4.666) 7.614 9.385 ( 3.834 0.000 0.738) 3.904 9.470 ( -2.564 0.000 -1.485) 2.963 9.602 ( 3.596 0.000 -1.474) 3.887 9.625 ( 2.470 0.000 -2.182) 3.296 9.718 ( 12.531 0.000 2.299) 12.740 9.885 ( -2.140 0.000 6.265) 6.620 10.048 ( 5.711 0.000 -6.167) 8.405 10.110 ( -2.301 0.000 0.788) 2.432 10.572 ( 1.743 0.000 -0.499) 1.813 10.770 ( -15.084 0.000 -0.253) 15.086 16.586 ( 2.726 0.000 -1.032) 2.915 16.589 ( 0.270 0.000 0.656) 0.709 16.759 ( -3.463 0.000 1.873) 3.937 16.778 ( 0.786 0.000 -2.189) 2.326 17.483 ( 0.136 0.000 0.128) 0.187 17.490 ( -0.449 0.000 0.134) 0.469 17.854 ( 2.058 0.000 0.944) 2.264 17.927 ( -2.085 0.000 -1.100) 2.357 17.992 ( -1.780 0.000 0.074) 1.782 18.008 ( -2.125 0.000 -0.768) 2.260 18.057 ( 1.105 0.000 0.539) 1.229 18.099 ( -2.170 0.000 -0.266) 2.187 18.242 ( 1.781 0.000 -1.280) 2.193 18.268 ( -5.132 0.000 1.529) 5.355 18.557 ( -0.282 0.000 -0.168) 0.328 18.568 ( -5.358 0.000 2.502) 5.913 21.393 ( 1.034 0.000 -0.095) 1.038 21.412 ( -1.104 0.000 0.101) 1.109 21.521 ( -0.358 0.000 1.153) 1.207 21.522 ( 0.623 0.000 0.195) 0.652 21.819 ( 0.076 0.000 0.091) 0.119 21.825 ( 0.193 0.000 -0.330) 0.382 21.838 ( 0.232 0.000 -0.450) 0.506 21.849 ( -0.709 0.000 -0.423) 0.825 26.775 ( -0.334 0.000 0.161) 0.371 26.778 ( 0.382 0.000 -0.460) 0.599 26.958 ( 0.226 0.000 0.468) 0.520 26.962 ( 0.126 0.000 0.272) 0.300 27.313 ( 1.423 0.000 -0.141) 1.430 27.317 ( 0.446 0.000 0.259) 0.516 27.364 ( 0.863 0.000 0.182) 0.882 27.365 ( -0.024 0.000 0.575) 0.576 34.975 ( -1.103 0.000 4.653) 4.782 35.168 ( -1.796 0.000 -6.865) 7.096 35.637 ( 0.569 0.000 6.093) 6.119 35.839 ( 0.981 0.000 -5.774) 5.857 36.240 ( 1.344 0.000 -0.073) 1.346 36.321 ( -2.799 0.000 -1.166) 3.032 36.885 ( 8.798 0.000 0.034) 8.798 37.103 ( -11.471 0.000 -0.295) 11.475 38.094 ( -4.680 0.000 4.688) 6.624 38.151 ( 3.537 0.000 -4.201) 5.491 38.633 ( 3.492 0.000 -1.330) 3.737 38.741 ( -6.057 0.000 -2.688) 6.626 39.557 ( 8.849 0.000 5.098) 10.212 39.758 ( 1.545 0.000 -2.419) 2.870 40.188 ( 20.911 0.000 7.672) 22.274 40.696 ( -15.379 0.000 -0.323) 15.382 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -18.843 0.000 8.205) 20.552 1.693 ( -13.269 0.000 -6.061) 14.588 1.863 ( 5.663 0.000 9.710) 11.241 1.946 ( -0.787 0.000 -1.396) 1.603 2.003 ( 1.752 0.000 -12.391) 12.514 2.131 ( 16.797 0.000 -2.455) 16.976 2.423 ( -2.253 0.000 1.517) 2.716 2.428 ( -4.989 0.000 -3.873) 6.316 2.534 ( 4.279 0.000 3.096) 5.282 2.594 ( 10.378 0.000 2.007) 10.570 2.951 ( -3.496 0.000 -1.268) 3.719 2.953 ( 0.560 0.000 4.489) 4.523 3.224 ( 1.465 0.000 4.657) 4.882 3.234 ( -2.570 0.000 2.684) 3.716 3.322 ( -3.705 0.000 1.577) 4.027 3.360 ( -7.476 0.000 -6.927) 10.192 3.463 ( 3.766 0.000 -4.143) 5.599 3.475 ( 8.209 0.000 1.839) 8.413 3.624 ( -3.254 0.000 -2.662) 4.204 3.628 ( -2.237 0.000 1.665) 2.788 3.732 ( -3.818 0.000 1.996) 4.308 3.755 ( -1.905 0.000 -0.223) 1.918 3.817 ( -2.592 0.000 7.354) 7.797 3.951 ( -2.331 0.000 -4.585) 5.143 3.977 ( -3.767 0.000 -0.866) 3.865 4.119 ( -3.177 0.000 3.635) 4.827 4.122 ( 4.796 0.000 -1.472) 5.017 4.192 ( 0.805 0.000 -7.877) 7.918 4.350 ( -6.247 0.000 7.225) 9.551 4.484 ( -7.286 0.000 -0.499) 7.303 4.498 ( 4.423 0.000 -1.802) 4.776 4.604 ( 4.340 0.000 -3.126) 5.349 4.699 ( -0.376 0.000 -2.735) 2.761 4.709 ( 0.393 0.000 1.107) 1.175 4.831 ( -0.367 0.000 1.718) 1.756 4.866 ( -0.805 0.000 -0.316) 0.864 4.990 ( 0.407 0.000 5.383) 5.398 5.007 ( -1.431 0.000 0.010) 1.431 5.034 ( 1.184 0.000 2.566) 2.826 5.073 ( 0.019 0.000 -4.220) 4.220 5.201 ( 2.097 0.000 0.066) 2.098 5.233 ( 2.581 0.000 -7.422) 7.859 5.314 ( -12.505 0.000 5.239) 13.558 5.530 ( 6.640 0.000 1.261) 6.759 5.674 ( -0.123 0.000 2.815) 2.818 5.692 ( -0.421 0.000 0.177) 0.456 5.829 ( -4.622 0.000 -5.143) 6.915 5.872 ( 6.101 0.000 4.800) 7.763 5.944 ( 1.210 0.000 11.838) 11.900 6.011 ( -1.372 0.000 -9.646) 9.743 6.078 ( -7.773 0.000 4.238) 8.853 6.188 ( -5.121 0.000 -3.233) 6.056 6.199 ( 1.082 0.000 3.217) 3.394 6.239 ( 3.512 0.000 -1.624) 3.869 6.308 ( -0.285 0.000 6.354) 6.361 6.367 ( -1.153 0.000 -3.542) 3.725 6.425 ( 0.657 0.000 2.786) 2.862 6.490 ( -1.835 0.000 -11.559) 11.703 6.501 ( -2.360 0.000 7.657) 8.012 6.599 ( 1.028 0.000 -0.492) 1.140 6.676 ( 2.966 0.000 -7.798) 8.343 6.690 ( 4.889 0.000 -4.464) 6.620 6.982 ( 0.326 0.000 -1.623) 1.655 7.005 ( 2.422 0.000 0.052) 2.423 7.072 ( 0.222 0.000 3.441) 3.448 7.085 ( -3.553 0.000 -6.057) 7.022 7.171 ( -2.285 0.000 -1.531) 2.750 7.193 ( 3.852 0.000 4.501) 5.924 7.369 ( -1.651 0.000 11.385) 11.504 7.414 ( -5.656 0.000 0.360) 5.667 7.495 ( -5.032 0.000 -8.656) 10.013 7.590 ( 6.035 0.000 0.299) 6.042 7.809 ( -1.288 0.000 -3.577) 3.802 7.809 ( 1.246 0.000 3.188) 3.423 7.851 ( -1.777 0.000 2.738) 3.264 7.922 ( 2.809 0.000 -4.414) 5.231 8.377 ( -0.369 0.000 4.362) 4.378 8.396 ( -1.855 0.000 -1.856) 2.624 8.447 ( -0.668 0.000 0.634) 0.921 8.457 ( -0.246 0.000 0.115) 0.271 8.628 ( -2.400 0.000 2.108) 3.194 8.680 ( 1.287 0.000 1.216) 1.770 8.741 ( -2.756 0.000 1.916) 3.356 8.799 ( -1.463 0.000 -4.255) 4.499 9.062 ( -5.569 0.000 5.071) 7.532 9.147 ( -0.397 0.000 -4.316) 4.334 9.386 ( -4.757 0.000 -0.642) 4.800 9.447 ( 2.208 0.000 1.211) 2.518 9.607 ( 0.490 0.000 -2.855) 2.896 9.633 ( 1.268 0.000 -2.579) 2.874 9.821 ( -6.932 0.000 -3.890) 7.949 9.894 ( 5.191 0.000 0.664) 5.233 10.043 ( -4.104 0.000 -2.212) 4.662 10.091 ( 2.952 0.000 0.450) 2.986 10.568 ( -8.667 0.000 0.461) 8.679 10.699 ( 10.131 0.000 5.959) 11.753 16.573 ( -2.384 0.000 0.359) 2.410 16.607 ( 0.509 0.000 -1.185) 1.290 16.735 ( -1.294 0.000 2.156) 2.515 16.796 ( 3.296 0.000 -1.816) 3.763 17.484 ( -0.315 0.000 0.059) 0.321 17.490 ( 0.406 0.000 0.146) 0.431 17.877 ( -2.129 0.000 -1.346) 2.519 17.901 ( 1.909 0.000 1.429) 2.384 17.993 ( 1.501 0.000 0.663) 1.641 17.998 ( 1.898 0.000 -0.571) 1.982 18.063 ( -1.787 0.000 -0.008) 1.787 18.083 ( 0.901 0.000 1.053) 1.386 18.233 ( -0.101 0.000 0.156) 0.186 18.298 ( 6.667 0.000 -1.726) 6.887 18.540 ( -0.433 0.000 1.681) 1.736 18.597 ( 5.143 0.000 -0.423) 5.161 21.393 ( -1.079 0.000 -0.089) 1.083 21.413 ( 1.244 0.000 0.062) 1.245 21.519 ( -0.651 0.000 0.455) 0.794 21.536 ( 0.874 0.000 -0.168) 0.890 21.820 ( -0.005 0.000 0.031) 0.031 21.824 ( 0.220 0.000 -0.418) 0.473 21.835 ( -0.694 0.000 -0.121) 0.705 21.843 ( 0.395 0.000 0.194) 0.440 26.771 ( -0.372 0.000 0.209) 0.427 26.781 ( 0.442 0.000 -0.367) 0.575 26.964 ( -0.132 0.000 -0.040) 0.138 26.964 ( -0.004 0.000 0.166) 0.166 27.311 ( -1.354 0.000 0.138) 1.361 27.321 ( -0.450 0.000 -0.185) 0.486 27.363 ( -0.768 0.000 0.362) 0.849 27.371 ( -0.085 0.000 -0.042) 0.094 35.040 ( 2.028 0.000 5.863) 6.204 35.088 ( 0.976 0.000 -6.663) 6.734 35.715 ( 0.567 0.000 6.302) 6.327 35.776 ( 0.092 0.000 -7.586) 7.587 36.255 ( -2.644 0.000 -1.250) 2.924 36.283 ( 2.359 0.000 2.068) 3.137 36.909 ( -9.904 0.000 -2.058) 10.115 37.073 ( 11.063 0.000 2.429) 11.326 38.068 ( -3.429 0.000 3.962) 5.240 38.189 ( 6.126 0.000 -4.557) 7.635 38.621 ( -5.792 0.000 -0.482) 5.812 38.703 ( 4.605 0.000 1.135) 4.743 39.660 ( -7.927 0.000 -4.970) 9.356 39.693 ( 1.048 0.000 4.095) 4.227 40.334 ( -22.298 0.000 -6.497) 23.225 40.598 ( 16.240 0.000 9.714) 18.923 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -21.127 0.000 12.177) 24.385 1.319 ( -23.644 0.000 2.918) 23.823 1.844 ( -5.412 0.000 -6.546) 8.494 1.848 ( 2.644 0.000 -16.601) 16.810 2.143 ( 4.680 0.000 12.350) 13.207 2.238 ( 2.494 0.000 -1.950) 3.166 2.459 ( 3.892 0.000 2.267) 4.504 2.500 ( 12.196 0.000 -3.315) 12.639 2.623 ( 0.701 0.000 2.390) 2.491 2.819 ( 11.958 0.000 0.913) 11.993 2.849 ( -5.435 0.000 -2.454) 5.964 3.012 ( 1.625 0.000 1.705) 2.356 3.086 ( -9.163 0.000 -12.303) 15.340 3.248 ( -4.756 0.000 8.688) 9.905 3.288 ( 1.295 0.000 1.211) 1.773 3.291 ( -8.553 0.000 1.253) 8.644 3.382 ( -11.371 0.000 2.777) 11.706 3.502 ( -9.621 0.000 1.011) 9.674 3.504 ( -9.217 0.000 -1.496) 9.338 3.598 ( 2.734 0.000 -2.504) 3.708 3.668 ( -6.909 0.000 -2.790) 7.451 3.689 ( 0.575 0.000 4.747) 4.782 3.826 ( -2.839 0.000 -0.482) 2.879 3.863 ( -5.932 0.000 3.126) 6.705 3.935 ( 5.283 0.000 -6.047) 8.030 4.099 ( -5.372 0.000 4.406) 6.948 4.133 ( 4.092 0.000 -8.448) 9.387 4.186 ( 1.851 0.000 1.092) 2.149 4.320 ( -3.386 0.000 5.936) 6.834 4.406 ( -4.699 0.000 4.804) 6.720 4.520 ( 2.696 0.000 -4.672) 5.393 4.595 ( -4.903 0.000 1.190) 5.045 4.693 ( -5.969 0.000 1.759) 6.223 4.701 ( 2.284 0.000 -1.146) 2.555 4.861 ( 3.811 0.000 -2.084) 4.343 4.862 ( 1.791 0.000 0.880) 1.995 4.954 ( -1.527 0.000 -5.176) 5.396 4.955 ( 1.192 0.000 -5.857) 5.977 5.028 ( -0.828 0.000 -5.748) 5.807 5.089 ( 1.666 0.000 -2.712) 3.183 5.220 ( 4.965 0.000 -4.146) 6.468 5.224 ( -0.294 0.000 2.148) 2.168 5.281 ( -3.032 0.000 11.553) 11.944 5.585 ( -1.546 0.000 2.943) 3.324 5.649 ( -5.516 0.000 -3.934) 6.776 5.692 ( -2.405 0.000 -0.723) 2.512 5.722 ( -0.342 0.000 -2.287) 2.312 5.882 ( -0.277 0.000 -7.610) 7.615 5.892 ( -9.261 0.000 -3.683) 9.966 5.998 ( -0.954 0.000 7.921) 7.979 6.087 ( -1.039 0.000 12.105) 12.149 6.133 ( 1.764 0.000 -4.839) 5.150 6.156 ( -5.051 0.000 -0.687) 5.098 6.277 ( -1.176 0.000 -3.779) 3.958 6.277 ( 0.292 0.000 -3.448) 3.460 6.376 ( -0.489 0.000 8.729) 8.743 6.415 ( -0.939 0.000 -3.894) 4.006 6.442 ( 0.362 0.000 1.920) 1.954 6.542 ( -1.973 0.000 5.187) 5.550 6.651 ( 1.593 0.000 1.188) 1.988 6.661 ( 0.628 0.000 -6.906) 6.934 6.683 ( 5.832 0.000 0.094) 5.833 6.933 ( -6.863 0.000 -2.263) 7.226 6.973 ( -0.994 0.000 0.407) 1.075 7.049 ( -1.591 0.000 -4.169) 4.462 7.084 ( 4.982 0.000 -0.529) 5.010 7.177 ( -0.647 0.000 1.402) 1.544 7.254 ( -1.140 0.000 3.001) 3.210 7.298 ( -1.105 0.000 -9.544) 9.608 7.409 ( -0.546 0.000 7.268) 7.288 7.466 ( -2.906 0.000 12.984) 13.305 7.681 ( 4.164 0.000 1.352) 4.378 7.752 ( 0.873 0.000 -5.944) 6.008 7.819 ( -3.462 0.000 3.559) 4.965 7.909 ( 1.211 0.000 5.884) 6.008 7.945 ( 3.379 0.000 -3.645) 4.970 8.325 ( -2.891 0.000 -4.380) 5.248 8.391 ( -3.137 0.000 3.339) 4.582 8.442 ( 0.137 0.000 -0.485) 0.503 8.455 ( -0.614 0.000 1.430) 1.556 8.597 ( -2.849 0.000 -0.026) 2.849 8.645 ( -2.142 0.000 -6.207) 6.566 8.692 ( -4.907 0.000 -4.190) 6.453 8.729 ( -4.332 0.000 7.634) 8.778 8.998 ( -6.888 0.000 3.702) 7.820 9.067 ( -4.729 0.000 -0.473) 4.753 9.315 ( -3.618 0.000 0.081) 3.619 9.454 ( -3.820 0.000 0.769) 3.897 9.553 ( -3.013 0.000 -8.607) 9.119 9.596 ( -0.842 0.000 -6.030) 6.089 9.657 ( -2.812 0.000 -2.717) 3.911 9.888 ( -7.268 0.000 2.366) 7.643 9.962 ( -0.059 0.000 -5.047) 5.047 10.131 ( 0.110 0.000 1.399) 1.404 10.475 ( -6.546 0.000 5.251) 8.392 11.005 ( 15.957 0.000 7.157) 17.488 16.533 ( -2.678 0.000 0.578) 2.740 16.578 ( -1.790 0.000 -1.307) 2.217 16.764 ( 1.293 0.000 2.338) 2.672 16.834 ( 3.299 0.000 -1.764) 3.741 17.482 ( -0.054 0.000 0.087) 0.102 17.496 ( 0.245 0.000 0.000) 0.245 17.831 ( -1.635 0.000 -1.123) 1.984 17.946 ( 1.519 0.000 1.526) 2.153 18.033 ( -0.937 0.000 -0.488) 1.057 18.052 ( 3.273 0.000 2.363) 4.037 18.054 ( 4.012 0.000 -0.219) 4.018 18.107 ( 0.892 0.000 0.653) 1.105 18.268 ( 4.319 0.000 -0.316) 4.330 18.422 ( 10.476 0.000 -2.568) 10.786 18.594 ( 4.903 0.000 1.448) 5.112 18.710 ( 9.160 0.000 -1.520) 9.286 21.377 ( -0.809 0.000 0.024) 0.809 21.433 ( 1.178 0.000 -0.164) 1.189 21.513 ( -0.431 0.000 0.131) 0.451 21.540 ( 0.421 0.000 -1.653) 1.705 21.820 ( -0.157 0.000 0.240) 0.286 21.822 ( 0.138 0.000 -0.506) 0.524 21.828 ( -0.327 0.000 0.699) 0.771 21.854 ( 0.373 0.000 0.669) 0.766 26.768 ( -0.394 0.000 0.368) 0.539 26.785 ( 0.512 0.000 -0.372) 0.633 26.958 ( -0.231 0.000 -0.354) 0.423 26.961 ( -0.272 0.000 -0.224) 0.352 27.278 ( -2.498 0.000 0.121) 2.501 27.297 ( -1.935 0.000 -0.092) 1.937 27.344 ( -1.656 0.000 -0.207) 1.669 27.361 ( -0.939 0.000 -0.284) 0.981 35.061 ( 3.586 0.000 -5.400) 6.482 35.163 ( 4.555 0.000 6.340) 7.806 35.685 ( -1.187 0.000 -7.257) 7.353 35.784 ( 0.396 0.000 4.801) 4.817 36.220 ( -0.740 0.000 0.300) 0.799 36.346 ( 1.576 0.000 1.782) 2.379 36.745 ( -7.082 0.000 0.034) 7.082 37.290 ( 11.302 0.000 2.638) 11.606 38.079 ( -0.074 0.000 4.244) 4.245 38.235 ( 5.688 0.000 -6.502) 8.639 38.554 ( -3.198 0.000 3.041) 4.413 38.802 ( 4.066 0.000 3.329) 5.255 39.409 ( -14.111 0.000 -5.766) 15.244 39.671 ( -6.654 0.000 0.442) 6.669 39.835 ( -27.277 0.000 -7.429) 28.270 40.917 ( 11.858 0.000 3.373) 12.328 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -19.880 0.000 20.237) 28.368 1.064 ( -17.888 0.000 18.531) 25.756 1.674 ( -3.790 0.000 -8.100) 8.942 1.723 ( 2.287 0.000 -14.953) 15.127 2.195 ( -20.561 0.000 15.055) 25.483 2.309 ( 5.488 0.000 -2.929) 6.221 2.477 ( -16.832 0.000 -1.246) 16.878 2.492 ( -5.957 0.000 -7.263) 9.394 2.534 ( 1.698 0.000 -1.532) 2.287 2.730 ( -8.597 0.000 -9.646) 12.922 2.923 ( 2.019 0.000 -4.584) 5.008 2.963 ( -0.896 0.000 -5.238) 5.314 2.988 ( -0.408 0.000 -0.986) 1.067 2.993 ( -12.505 0.000 5.548) 13.680 3.156 ( -9.152 0.000 0.996) 9.207 3.233 ( -7.835 0.000 5.786) 9.740 3.309 ( -4.546 0.000 2.486) 5.181 3.389 ( -2.651 0.000 0.060) 2.651 3.445 ( 0.278 0.000 -5.366) 5.374 3.545 ( -2.470 0.000 -0.635) 2.551 3.615 ( -0.766 0.000 0.224) 0.798 3.723 ( -1.530 0.000 -5.418) 5.630 3.804 ( 2.586 0.000 5.774) 6.326 3.844 ( -1.535 0.000 3.966) 4.252 3.986 ( 7.005 0.000 -5.419) 8.856 4.035 ( -6.583 0.000 3.484) 7.448 4.105 ( 1.615 0.000 -7.209) 7.388 4.206 ( 2.744 0.000 -3.861) 4.737 4.362 ( -1.976 0.000 7.241) 7.506 4.429 ( 1.008 0.000 6.156) 6.238 4.453 ( -8.075 0.000 -0.816) 8.116 4.528 ( 1.500 0.000 -2.882) 3.248 4.586 ( -6.246 0.000 0.594) 6.274 4.717 ( 3.657 0.000 -6.108) 7.119 4.864 ( -2.640 0.000 -4.385) 5.118 4.870 ( 4.946 0.000 -15.448) 16.221 4.890 ( -2.504 0.000 1.657) 3.003 4.935 ( -0.463 0.000 -1.192) 1.279 4.993 ( 5.728 0.000 -0.132) 5.730 5.071 ( 4.102 0.000 -3.918) 5.672 5.221 ( -5.246 0.000 2.507) 5.814 5.308 ( 6.720 0.000 0.006) 6.720 5.353 ( -1.439 0.000 6.736) 6.889 5.515 ( -9.535 0.000 -1.281) 9.621 5.523 ( -1.353 0.000 -3.873) 4.103 5.575 ( -5.813 0.000 -4.247) 7.200 5.717 ( 0.625 0.000 -2.126) 2.216 5.750 ( -4.731 0.000 3.470) 5.867 5.834 ( -3.021 0.000 0.507) 3.063 6.040 ( -1.423 0.000 -0.688) 1.580 6.061 ( -1.762 0.000 -2.883) 3.379 6.080 ( -0.136 0.000 -0.024) 0.138 6.219 ( -3.565 0.000 4.985) 6.128 6.251 ( 1.112 0.000 -0.374) 1.173 6.261 ( -0.946 0.000 11.497) 11.536 6.338 ( -0.902 0.000 -2.282) 2.454 6.475 ( 2.968 0.000 3.017) 4.232 6.481 ( 0.154 0.000 4.044) 4.046 6.516 ( -1.221 0.000 -2.173) 2.493 6.661 ( -0.405 0.000 0.136) 0.427 6.664 ( 5.525 0.000 -2.056) 5.895 6.789 ( -0.638 0.000 3.875) 3.927 6.867 ( 0.819 0.000 5.053) 5.119 6.949 ( -3.536 0.000 1.304) 3.769 6.971 ( -3.120 0.000 -1.083) 3.303 7.095 ( -1.150 0.000 -4.731) 4.869 7.125 ( 0.890 0.000 -3.947) 4.046 7.257 ( -3.162 0.000 8.255) 8.840 7.323 ( 5.851 0.000 -0.639) 5.886 7.555 ( 5.606 0.000 7.936) 9.717 7.561 ( 0.282 0.000 9.441) 9.445 7.669 ( -5.112 0.000 -2.306) 5.608 7.762 ( -7.468 0.000 3.418) 8.212 7.790 ( 7.249 0.000 -2.340) 7.617 7.918 ( -0.176 0.000 -5.103) 5.106 7.993 ( 0.870 0.000 5.891) 5.955 8.180 ( -5.964 0.000 -10.788) 12.327 8.353 ( -4.862 0.000 1.352) 5.046 8.442 ( 1.238 0.000 -2.189) 2.514 8.452 ( -2.262 0.000 2.633) 3.471 8.513 ( -1.101 0.000 -6.423) 6.517 8.523 ( -3.181 0.000 -6.193) 6.962 8.623 ( -3.965 0.000 5.641) 6.895 8.740 ( -3.623 0.000 6.606) 7.534 8.934 ( -5.047 0.000 3.528) 6.158 8.999 ( -6.025 0.000 4.917) 7.777 9.256 ( -2.730 0.000 -2.126) 3.460 9.304 ( -6.248 0.000 -10.356) 12.095 9.396 ( -7.143 0.000 -1.145) 7.235 9.458 ( -5.119 0.000 -10.241) 11.449 9.648 ( 1.524 0.000 -1.713) 2.293 9.770 ( -10.761 0.000 5.220) 11.960 9.913 ( 1.117 0.000 -5.629) 5.739 10.114 ( -0.997 0.000 -3.302) 3.450 10.461 ( -6.915 0.000 13.699) 15.345 11.312 ( 13.940 0.000 -1.578) 14.029 16.501 ( -2.062 0.000 1.029) 2.304 16.535 ( -1.393 0.000 -1.346) 1.937 16.812 ( 1.173 0.000 2.345) 2.622 16.868 ( 2.879 0.000 -1.547) 3.269 17.484 ( 0.116 0.000 0.370) 0.387 17.499 ( 0.141 0.000 0.034) 0.145 17.804 ( -0.557 0.000 -0.047) 0.559 17.973 ( 0.077 0.000 -0.823) 0.826 18.013 ( -0.543 0.000 1.379) 1.482 18.123 ( 1.812 0.000 -1.620) 2.431 18.124 ( 4.192 0.000 -0.740) 4.256 18.151 ( 3.256 0.000 5.218) 6.150 18.359 ( 6.295 0.000 0.086) 6.296 18.579 ( 11.422 0.000 -3.570) 11.967 18.730 ( 8.529 0.000 1.915) 8.741 18.855 ( 9.960 0.000 -2.325) 10.228 21.367 ( -0.481 0.000 0.270) 0.552 21.443 ( 0.485 0.000 -1.294) 1.382 21.504 ( -1.587 0.000 -2.817) 3.233 21.508 ( -0.245 0.000 -0.022) 0.246 21.819 ( 0.125 0.000 -0.469) 0.485 21.823 ( 0.096 0.000 0.225) 0.244 21.846 ( 1.016 0.000 2.240) 2.459 21.869 ( 0.292 0.000 1.043) 1.083 26.766 ( -0.363 0.000 0.572) 0.677 26.789 ( 0.539 0.000 -0.505) 0.739 26.951 ( -0.013 0.000 -0.416) 0.416 26.953 ( -0.282 0.000 -0.197) 0.344 27.236 ( -2.617 0.000 0.307) 2.635 27.261 ( -2.151 0.000 -0.077) 2.153 27.307 ( -2.079 0.000 -0.304) 2.102 27.336 ( -1.352 0.000 -0.543) 1.457 35.095 ( 5.742 0.000 -2.939) 6.451 35.325 ( 6.343 0.000 6.860) 9.343 35.595 ( -1.727 0.000 -3.897) 4.263 35.827 ( -0.125 0.000 2.461) 2.464 36.234 ( 1.015 0.000 1.433) 1.756 36.334 ( -1.752 0.000 -3.129) 3.586 36.733 ( 0.635 0.000 10.089) 10.109 37.501 ( 9.894 0.000 3.043) 10.351 38.164 ( 4.478 0.000 4.724) 6.509 38.239 ( 3.711 0.000 -6.342) 7.348 38.573 ( 0.054 0.000 3.725) 3.725 38.892 ( -0.912 0.000 5.039) 5.121 39.103 ( -11.534 0.000 -7.742) 13.891 39.289 ( -28.849 0.000 -3.632) 29.076 39.478 ( -13.216 0.000 -5.524) 14.324 40.961 ( -2.196 0.000 -18.498) 18.628 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -14.767 0.000 23.014) 27.344 1.078 ( -16.759 0.000 25.170) 30.238 1.559 ( 2.227 0.000 -11.658) 11.869 1.578 ( -2.148 0.000 -9.551) 9.789 1.822 ( -34.624 0.000 26.851) 43.816 2.053 ( -18.190 0.000 -5.782) 19.087 2.193 ( -7.506 0.000 -12.422) 14.514 2.434 ( -6.773 0.000 -5.911) 8.990 2.537 ( 8.841 0.000 0.588) 8.861 2.578 ( 2.978 0.000 0.928) 3.119 2.722 ( -15.085 0.000 -0.867) 15.109 2.831 ( -8.631 0.000 7.257) 11.277 2.900 ( -3.140 0.000 -12.833) 13.212 3.105 ( -4.047 0.000 -8.117) 9.070 3.124 ( 9.625 0.000 -1.383) 9.724 3.180 ( -1.372 0.000 3.985) 4.214 3.247 ( -1.708 0.000 1.837) 2.509 3.321 ( 0.342 0.000 -7.218) 7.226 3.326 ( -6.786 0.000 -0.140) 6.787 3.550 ( -5.324 0.000 -1.354) 5.494 3.567 ( 1.097 0.000 2.474) 2.706 3.687 ( 0.148 0.000 -1.468) 1.475 3.865 ( -4.931 0.000 6.727) 8.341 3.875 ( 0.396 0.000 1.096) 1.165 3.934 ( -0.717 0.000 -3.465) 3.538 4.034 ( 0.017 0.000 -5.760) 5.760 4.083 ( 3.041 0.000 2.938) 4.228 4.223 ( 4.409 0.000 -4.993) 6.661 4.358 ( -2.551 0.000 2.403) 3.505 4.411 ( -0.118 0.000 5.133) 5.134 4.438 ( -3.981 0.000 1.328) 4.197 4.574 ( 6.208 0.000 -1.046) 6.295 4.641 ( 6.226 0.000 7.322) 9.611 4.690 ( 7.230 0.000 -15.151) 16.788 4.756 ( -6.092 0.000 -0.799) 6.144 4.774 ( 4.121 0.000 -11.924) 12.616 4.872 ( -3.390 0.000 2.202) 4.043 4.933 ( 1.301 0.000 -2.371) 2.705 5.078 ( -2.489 0.000 -1.499) 2.905 5.104 ( 4.619 0.000 1.646) 4.903 5.193 ( 1.171 0.000 5.119) 5.251 5.290 ( -8.215 0.000 -3.271) 8.842 5.374 ( -1.466 0.000 -0.680) 1.616 5.423 ( -2.333 0.000 0.296) 2.352 5.453 ( -2.084 0.000 -4.774) 5.209 5.456 ( -0.488 0.000 -0.677) 0.835 5.685 ( 1.243 0.000 -3.209) 3.441 5.732 ( -4.265 0.000 3.783) 5.701 5.787 ( -1.024 0.000 -2.013) 2.259 5.916 ( -6.038 0.000 -6.389) 8.791 6.076 ( 3.079 0.000 2.239) 3.807 6.146 ( -4.356 0.000 -0.373) 4.372 6.172 ( 2.940 0.000 8.363) 8.865 6.257 ( 1.735 0.000 -6.530) 6.757 6.379 ( -3.536 0.000 14.503) 14.928 6.396 ( 1.249 0.000 11.928) 11.993 6.455 ( -2.350 0.000 -1.372) 2.721 6.574 ( 7.395 0.000 -0.859) 7.445 6.598 ( 5.728 0.000 5.779) 8.137 6.658 ( 0.090 0.000 -0.588) 0.595 6.764 ( 8.141 0.000 -3.386) 8.817 6.828 ( 3.611 0.000 2.339) 4.303 6.890 ( -2.324 0.000 -0.163) 2.330 6.949 ( -3.132 0.000 5.941) 6.716 6.953 ( 0.234 0.000 4.657) 4.662 7.053 ( -1.529 0.000 -4.149) 4.422 7.094 ( 5.228 0.000 -1.955) 5.582 7.363 ( 0.234 0.000 13.411) 13.413 7.378 ( -0.665 0.000 -2.889) 2.964 7.486 ( -9.142 0.000 -5.405) 10.621 7.595 ( -6.794 0.000 7.114) 9.837 7.637 ( -3.653 0.000 -2.031) 4.179 7.817 ( 8.367 0.000 4.513) 9.507 7.821 ( -5.934 0.000 -2.855) 6.585 7.894 ( 5.274 0.000 2.103) 5.678 7.990 ( 2.472 0.000 -3.883) 4.603 8.053 ( -0.502 0.000 4.797) 4.823 8.237 ( -6.693 0.000 -3.178) 7.409 8.392 ( -5.552 0.000 -4.381) 7.073 8.429 ( 1.662 0.000 -5.576) 5.818 8.477 ( 2.277 0.000 -1.710) 2.848 8.484 ( 1.281 0.000 2.900) 3.171 8.645 ( -0.451 0.000 4.706) 4.727 8.747 ( -2.827 0.000 4.964) 5.712 8.891 ( -5.836 0.000 3.165) 6.639 8.971 ( -4.911 0.000 6.019) 7.768 9.117 ( -8.884 0.000 -6.140) 10.799 9.122 ( -1.184 0.000 -8.649) 8.729 9.257 ( -7.986 0.000 -0.385) 7.996 9.281 ( -2.767 0.000 -5.724) 6.358 9.651 ( -9.908 0.000 5.770) 11.466 9.655 ( 2.293 0.000 -2.733) 3.568 9.888 ( 2.068 0.000 -3.830) 4.353 10.037 ( -1.160 0.000 -6.806) 6.905 10.537 ( -5.079 0.000 19.145) 19.807 11.335 ( 0.294 0.000 -17.166) 17.169 16.486 ( -1.264 0.000 1.147) 1.706 16.506 ( -0.198 0.000 -1.309) 1.324 16.848 ( 0.031 0.000 2.207) 2.207 16.893 ( 1.996 0.000 -1.742) 2.649 17.497 ( 0.444 0.000 0.985) 1.080 17.504 ( 0.323 0.000 0.251) 0.408 17.816 ( 1.349 0.000 0.848) 1.593 17.936 ( -1.562 0.000 -2.280) 2.763 18.040 ( 0.403 0.000 2.310) 2.345 18.125 ( 0.937 0.000 -2.228) 2.417 18.175 ( 2.902 0.000 -0.784) 3.006 18.236 ( 1.225 0.000 0.368) 1.279 18.495 ( 7.077 0.000 4.470) 8.370 18.704 ( 7.799 0.000 -4.427) 8.968 18.890 ( 6.689 0.000 2.285) 7.068 18.976 ( 6.464 0.000 -1.754) 6.698 21.366 ( -0.228 0.000 0.467) 0.519 21.400 ( -2.168 0.000 -1.758) 2.791 21.474 ( -0.201 0.000 0.196) 0.280 21.502 ( -0.325 0.000 -0.253) 0.412 21.818 ( 0.249 0.000 -0.290) 0.383 21.825 ( -0.051 0.000 -0.012) 0.053 21.885 ( 0.078 0.000 1.351) 1.353 21.900 ( 2.555 0.000 0.776) 2.671 26.768 ( -0.273 0.000 0.765) 0.813 26.792 ( 0.462 0.000 -0.709) 0.847 26.950 ( 0.366 0.000 -0.229) 0.431 26.952 ( 0.122 0.000 0.261) 0.288 27.202 ( -1.764 0.000 0.487) 1.830 27.225 ( -1.571 0.000 -0.642) 1.697 27.284 ( -0.727 0.000 0.689) 1.001 27.310 ( -0.821 0.000 -0.649) 1.047 35.189 ( 7.089 0.000 0.187) 7.091 35.473 ( -0.679 0.000 2.662) 2.747 35.589 ( 5.964 0.000 1.415) 6.129 35.828 ( -1.466 0.000 0.006) 1.466 36.274 ( 1.248 0.000 1.760) 2.158 36.296 ( 2.013 0.000 -1.789) 2.694 37.028 ( 20.744 0.000 15.463) 25.873 37.666 ( 2.576 0.000 5.738) 6.290 38.252 ( 4.738 0.000 -3.751) 6.043 38.327 ( 8.724 0.000 4.183) 9.675 38.597 ( -1.374 0.000 1.322) 1.907 38.691 ( -21.032 0.000 -4.769) 21.566 38.784 ( -12.130 0.000 -7.101) 14.055 39.091 ( -23.807 0.000 -9.746) 25.725 39.128 ( 4.092 0.000 7.683) 8.705 40.337 ( -35.947 0.000 -27.940) 45.528 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -10.480 10.928 20.613) 25.577 1.261 ( 0.293 18.630 13.110) 22.782 1.525 ( 9.089 2.166 -10.444) 14.014 1.696 ( 5.115 14.330 -13.747) 20.506 1.824 ( 1.243 0.757 5.892) 6.069 2.011 ( 0.007 2.758 -8.283) 8.730 2.125 ( -3.951 12.652 23.798) 27.241 2.393 ( 4.871 -6.376 4.488) 9.194 2.495 ( -3.428 1.034 -3.598) 5.076 2.590 ( 1.492 -4.682 -4.578) 6.716 2.685 ( -6.483 -0.488 -4.164) 7.721 2.703 ( 0.914 3.772 1.292) 4.091 2.792 ( 4.969 1.401 -8.257) 9.738 2.858 ( -5.772 -1.049 -10.066) 11.651 3.106 ( -1.827 -6.276 1.834) 6.789 3.146 ( 3.942 -6.529 -1.552) 7.784 3.242 ( -4.492 -4.031 4.843) 7.739 3.268 ( 4.647 -2.340 3.460) 6.249 3.329 ( 4.072 -4.268 -2.626) 6.457 3.365 ( -5.223 -1.516 -4.004) 6.754 3.607 ( -2.410 -0.148 0.733) 2.523 3.629 ( 0.658 -1.333 -2.140) 2.606 3.866 ( -2.885 2.081 1.890) 4.029 3.885 ( 1.804 0.419 -0.378) 1.890 3.966 ( 2.046 2.506 3.465) 4.740 4.065 ( 2.779 3.157 -5.589) 6.995 4.125 ( -1.490 1.108 5.247) 5.566 4.251 ( 3.937 0.804 -6.731) 7.839 4.367 ( -2.921 1.322 3.459) 4.716 4.411 ( -4.686 2.064 3.087) 5.979 4.461 ( 1.209 0.631 0.374) 1.414 4.544 ( 2.983 -4.205 -8.614) 10.039 4.683 ( -3.093 1.307 0.907) 3.478 4.718 ( 2.407 1.063 -2.552) 3.665 4.782 ( -2.978 -2.392 0.197) 3.825 4.814 ( 5.205 0.430 -1.354) 5.395 4.850 ( 5.753 2.439 0.744) 6.293 4.898 ( -2.627 -0.315 -2.784) 3.841 5.026 ( -3.280 -2.209 0.402) 3.974 5.076 ( 2.354 -0.562 -3.909) 4.598 5.221 ( -1.960 -0.172 3.080) 3.654 5.249 ( 2.974 3.597 1.545) 4.917 5.362 ( -1.338 1.787 0.936) 2.421 5.403 ( -1.052 1.120 -0.570) 1.639 5.437 ( -1.289 2.548 -0.267) 2.868 5.476 ( 2.285 2.869 -4.173) 5.556 5.705 ( -0.607 2.640 0.943) 2.868 5.738 ( 1.105 1.051 -1.845) 2.394 5.773 ( -2.352 3.286 2.227) 4.614 5.814 ( -2.464 2.631 -2.690) 4.498 6.081 ( 0.023 -2.464 0.738) 2.573 6.118 ( -1.613 -0.780 -2.688) 3.230 6.231 ( 0.456 -3.037 9.458) 9.944 6.261 ( 1.684 -1.150 4.482) 4.924 6.392 ( -3.555 -0.249 2.393) 4.293 6.447 ( 3.463 -0.818 -1.533) 3.874 6.568 ( -0.518 -0.376 -0.969) 1.161 6.600 ( 0.178 0.573 3.263) 3.318 6.630 ( 1.928 -0.312 1.882) 2.712 6.783 ( -0.139 -1.563 3.745) 4.061 6.789 ( -0.564 1.666 -4.889) 5.196 6.844 ( 3.055 -5.080 -3.200) 6.736 6.867 ( 5.718 -0.261 3.829) 6.887 6.989 ( -2.879 -0.333 -2.867) 4.076 7.024 ( 2.709 3.132 3.319) 5.307 7.102 ( -1.766 4.215 -4.561) 6.457 7.195 ( -3.810 -1.953 3.953) 5.827 7.245 ( 6.869 -2.058 0.824) 7.218 7.275 ( -3.965 0.400 -1.209) 4.165 7.337 ( -8.172 2.089 -4.118) 9.386 7.547 ( -0.862 -3.095 13.635) 14.009 7.685 ( -0.239 3.006 6.218) 6.910 7.792 ( 0.294 0.419 -2.630) 2.679 7.896 ( 5.332 -4.742 -11.191) 13.272 8.052 ( 3.501 -1.134 4.508) 5.819 8.090 ( -4.140 2.402 0.843) 4.860 8.106 ( 5.832 -0.177 -2.435) 6.322 8.144 ( 3.953 2.729 -2.530) 5.429 8.230 ( -5.300 -0.991 3.696) 6.537 8.338 ( -5.140 -3.541 -4.526) 7.709 8.570 ( 2.166 3.702 0.045) 4.289 8.574 ( -0.729 5.110 -0.285) 5.169 8.701 ( -0.618 -1.352 3.347) 3.662 8.746 ( 4.171 1.331 -0.764) 4.445 8.830 ( -0.022 1.964 1.221) 2.313 8.880 ( -2.228 -0.028 -2.633) 3.449 9.078 ( -1.399 1.033 4.208) 4.553 9.136 ( -0.194 3.496 4.695) 5.857 9.221 ( 1.674 0.816 -3.511) 3.974 9.253 ( 3.711 9.237 -8.717) 13.231 9.536 ( -7.211 -3.807 7.267) 10.922 9.650 ( 3.490 -2.347 -2.359) 4.822 9.877 ( 1.812 -2.131 -0.766) 2.900 9.964 ( 0.996 1.566 -9.089) 9.277 10.563 ( -2.326 -13.025 20.500) 24.399 10.918 ( -1.986 -15.123 -14.763) 21.227 16.483 ( -0.433 0.528 0.984) 1.198 16.509 ( 0.442 0.560 -1.579) 1.733 16.861 ( -0.968 0.188 1.752) 2.011 16.895 ( 1.023 -0.399 -1.510) 1.867 17.461 ( -0.169 -2.707 1.091) 2.923 17.488 ( 0.079 -2.033 -1.658) 2.624 17.783 ( 1.588 -6.277 1.009) 6.553 17.819 ( -1.234 -5.763 -2.595) 6.440 18.097 ( -0.011 2.380 3.122) 3.925 18.155 ( -0.350 2.937 -2.611) 3.946 18.232 ( -2.050 1.519 0.826) 2.681 18.248 ( 1.278 2.718 -0.676) 3.079 18.671 ( -0.053 4.871 4.713) 6.778 18.763 ( 0.222 3.701 -4.381) 5.740 18.996 ( 0.186 1.867 2.237) 2.920 19.036 ( -0.131 1.742 -1.786) 2.499 21.372 ( -0.073 0.314 0.275) 0.424 21.379 ( 0.420 0.134 -0.366) 0.573 21.482 ( 0.341 0.107 0.461) 0.583 21.492 ( -0.351 -0.002 -0.475) 0.591 21.818 ( 0.117 -0.286 -0.006) 0.309 21.819 ( -0.054 -0.222 -0.164) 0.281 21.890 ( -0.379 -0.722 1.358) 1.584 21.909 ( 0.422 -1.209 -0.510) 1.378 26.780 ( -0.284 0.764 0.950) 1.252 26.799 ( 0.298 0.974 -0.987) 1.418 26.936 ( -0.250 -1.598 0.665) 1.749 26.947 ( 0.202 -1.093 -0.446) 1.197 27.200 ( -0.154 0.752 0.441) 0.885 27.209 ( 0.015 0.543 -0.468) 0.717 27.294 ( -0.231 0.836 0.638) 1.077 27.307 ( 0.266 0.719 -0.596) 0.972 35.394 ( -3.545 5.273 1.432) 6.513 35.445 ( 3.131 6.643 -3.527) 8.147 35.719 ( 3.817 -0.833 3.499) 5.244 35.787 ( -2.452 0.577 -3.077) 3.976 36.339 ( -1.747 4.838 2.411) 5.680 36.386 ( 1.475 6.365 -2.222) 6.901 37.472 ( 19.720 -17.632 4.458) 26.826 37.494 ( -12.519 -10.742 0.969) 16.524 38.300 ( 1.674 -0.344 0.904) 1.933 38.324 ( -10.145 -1.033 -1.115) 10.258 38.501 ( -1.680 0.590 3.500) 3.926 38.552 ( 3.843 0.859 -1.841) 4.347 38.599 ( 1.602 -1.446 1.164) 2.452 38.653 ( 1.377 -2.100 -3.882) 4.623 39.581 ( 11.230 14.413 3.268) 18.562 39.722 ( -17.328 10.150 -10.033) 22.449 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 13.439 10.676 13.296) 21.711 1.446 ( 7.122 18.150 7.297) 20.818 1.568 ( 6.294 9.331 -16.363) 19.860 1.655 ( 9.916 4.357 -16.421) 19.671 1.973 ( 7.006 0.463 5.814) 9.116 2.051 ( 17.339 0.946 -5.174) 18.119 2.351 ( -0.416 -3.080 -0.896) 3.234 2.403 ( 2.576 0.323 16.317) 16.523 2.517 ( -1.057 1.301 0.810) 1.862 2.560 ( 14.836 7.099 -15.452) 22.567 2.620 ( -4.739 -2.545 2.810) 6.069 2.793 ( 6.719 -5.047 -0.215) 8.406 2.843 ( 4.326 0.620 9.001) 10.006 2.857 ( 9.448 0.574 1.569) 9.595 3.101 ( 1.525 -3.944 -1.758) 4.579 3.165 ( -0.646 -2.904 -2.531) 3.906 3.198 ( -2.725 -2.378 3.877) 5.302 3.239 ( 0.603 -4.260 -1.413) 4.528 3.392 ( 5.750 -4.261 -4.139) 8.267 3.448 ( 7.237 -4.153 4.582) 9.519 3.558 ( -3.260 -2.230 1.736) 4.315 3.683 ( 4.678 1.825 0.372) 5.036 3.861 ( 0.813 2.095 -0.594) 2.324 3.888 ( -2.155 1.567 2.191) 3.450 4.027 ( 0.918 0.294 -3.490) 3.621 4.056 ( 5.873 2.712 -3.927) 7.568 4.103 ( -4.284 1.132 0.272) 4.439 4.216 ( -2.374 4.373 -2.404) 5.526 4.361 ( -5.547 -2.252 8.775) 10.623 4.397 ( -0.412 -0.837 1.659) 1.903 4.424 ( -2.211 0.063 -4.351) 4.881 4.514 ( 0.640 -0.002 -0.668) 0.925 4.610 ( -4.895 2.505 3.779) 6.672 4.676 ( 0.499 3.715 -4.544) 5.891 4.744 ( -1.709 0.363 -0.775) 1.911 4.827 ( 2.635 0.124 -5.533) 6.130 4.942 ( 1.127 0.731 -0.902) 1.618 4.954 ( 5.857 -1.749 -2.054) 6.449 5.006 ( -1.237 -3.267 4.421) 5.635 5.125 ( 7.193 -1.876 -2.425) 7.819 5.200 ( -0.308 4.881 1.297) 5.060 5.306 ( -2.706 -1.372 -4.157) 5.146 5.337 ( 2.090 3.189 4.341) 5.778 5.399 ( -0.944 4.421 0.118) 4.522 5.435 ( 1.259 0.494 1.159) 1.781 5.491 ( 2.614 1.690 -0.199) 3.119 5.664 ( -4.498 3.221 0.651) 5.571 5.681 ( 1.262 0.625 2.465) 2.839 5.848 ( 3.738 4.824 5.001) 7.890 5.887 ( 5.524 2.052 -2.111) 6.260 6.088 ( -1.010 -4.719 2.082) 5.256 6.097 ( -1.544 -0.840 0.196) 1.769 6.215 ( -1.638 1.605 0.198) 2.302 6.283 ( -4.341 -1.193 -5.176) 6.860 6.357 ( -0.445 -2.371 4.334) 4.960 6.480 ( 0.457 -3.839 -1.126) 4.026 6.502 ( -1.216 -0.902 -3.623) 3.927 6.648 ( -1.157 -0.172 3.902) 4.074 6.684 ( 0.001 4.311 -3.630) 5.635 6.695 ( -2.428 -2.803 -1.581) 4.031 6.771 ( -0.140 1.104 -2.136) 2.409 6.813 ( -4.538 0.169 -6.071) 7.581 6.896 ( 2.535 -3.778 -2.925) 5.409 6.942 ( -1.157 0.031 3.311) 3.508 7.050 ( -5.858 0.471 1.424) 6.047 7.098 ( 4.977 2.195 -2.425) 5.955 7.148 ( 2.915 6.373 1.743) 7.221 7.280 ( 2.488 -0.811 1.496) 3.015 7.340 ( 4.731 1.222 5.864) 7.633 7.478 ( 9.397 -3.936 3.502) 10.773 7.615 ( -6.015 -3.443 4.785) 8.422 7.673 ( -2.291 -4.327 -1.660) 5.170 7.742 ( -1.793 0.607 -3.306) 3.809 7.845 ( 3.681 -0.351 -4.841) 6.092 7.999 ( -3.952 2.901 -1.545) 5.140 8.025 ( -3.735 2.850 -3.972) 6.152 8.137 ( 2.097 0.366 -1.641) 2.688 8.237 ( 8.058 0.812 -2.578) 8.499 8.274 ( -0.217 -3.182 2.842) 4.272 8.309 ( 1.981 0.784 6.896) 7.217 8.505 ( -3.489 2.977 -0.526) 4.617 8.552 ( -3.270 4.097 -0.227) 5.247 8.712 ( 1.090 -1.383 -0.962) 2.006 8.792 ( 1.014 1.101 0.029) 1.497 8.903 ( 6.435 -0.437 0.533) 6.472 8.961 ( 9.387 -0.265 0.172) 9.393 9.122 ( 3.224 -1.075 -1.784) 3.839 9.174 ( 2.524 5.212 1.983) 6.121 9.252 ( 7.612 2.810 -4.604) 9.329 9.324 ( 9.720 6.362 -3.632) 12.171 9.521 ( -4.390 -3.254 7.749) 9.482 9.698 ( 3.816 -2.325 -0.165) 4.472 9.897 ( 2.855 -0.503 -5.797) 6.482 9.930 ( 2.735 -0.985 0.463) 2.944 10.734 ( -0.256 -13.724 -1.204) 13.780 10.805 ( 2.515 -12.861 7.360) 15.030 16.493 ( 0.657 0.823 0.696) 1.263 16.517 ( 1.809 0.534 -0.750) 2.030 16.856 ( -1.866 0.306 1.627) 2.495 16.887 ( 0.133 -0.280 -1.719) 1.747 17.467 ( -0.581 -2.656 0.605) 2.785 17.474 ( 0.071 -2.248 -0.461) 2.296 17.774 ( -1.085 -5.878 -2.048) 6.318 17.820 ( 1.050 -6.611 1.710) 6.909 18.114 ( -1.110 2.440 -2.050) 3.374 18.123 ( -1.039 2.441 2.642) 3.744 18.194 ( -3.377 2.619 1.098) 4.412 18.250 ( -0.800 1.666 0.016) 1.848 18.645 ( -7.653 4.393 -1.456) 8.944 18.650 ( -7.411 4.384 0.958) 8.664 18.948 ( -7.151 1.504 -0.989) 7.374 18.963 ( -6.635 1.987 0.959) 6.992 21.377 ( 0.475 0.033 -0.052) 0.479 21.385 ( 0.785 0.252 -0.326) 0.886 21.482 ( -0.158 0.050 -0.428) 0.459 21.494 ( 0.418 -0.156 0.396) 0.596 21.814 ( -0.173 -0.158 -0.043) 0.238 21.823 ( 0.265 -0.233 -0.046) 0.355 21.890 ( -1.010 -0.608 0.645) 1.344 21.900 ( -0.451 -0.796 -0.750) 1.183 26.785 ( -0.284 0.845 0.835) 1.222 26.794 ( 0.263 0.909 -0.864) 1.281 26.932 ( -0.628 -1.375 0.354) 1.552 26.944 ( -0.089 -1.313 -0.338) 1.358 27.217 ( 1.519 0.602 0.508) 1.711 27.220 ( 1.695 0.662 -0.322) 1.848 27.303 ( 0.555 0.727 0.368) 0.986 27.310 ( 0.879 0.862 -0.442) 1.309 35.273 ( -9.200 5.924 1.066) 10.994 35.508 ( 3.656 4.794 0.057) 6.029 35.642 ( -7.442 -0.988 -3.535) 8.298 35.830 ( 3.593 0.324 0.606) 3.658 36.318 ( -3.157 5.739 2.644) 7.064 36.366 ( -0.780 6.197 -2.099) 6.589 37.186 ( -14.366 -6.181 -7.150) 17.196 37.580 ( -9.145 -13.635 3.459) 16.778 38.183 ( -6.896 0.075 2.646) 7.387 38.394 ( -6.973 -0.658 -1.886) 7.254 38.466 ( 10.314 -6.782 1.853) 12.483 38.631 ( 3.718 -4.132 2.867) 6.254 38.794 ( 24.261 1.710 -6.964) 25.299 38.877 ( 20.614 -1.617 -1.559) 20.736 39.499 ( -1.425 15.428 -2.806) 15.746 39.965 ( 21.550 4.704 13.296) 25.754 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 6.159 5.208 -16.946) 18.768 1.503 ( 0.176 4.071 -7.142) 8.222 1.626 ( 13.920 11.385 -8.326) 19.817 1.671 ( 3.585 13.566 10.936) 17.790 2.205 ( 5.613 -0.833 10.152) 11.630 2.288 ( 5.383 2.381 0.250) 5.891 2.404 ( 0.785 -2.115 1.039) 2.484 2.473 ( 4.020 -0.849 4.407) 6.025 2.517 ( 3.578 -0.658 0.793) 3.724 2.681 ( -0.539 -6.873 4.128) 8.035 2.753 ( 15.824 1.920 -8.637) 18.129 2.860 ( 4.483 -0.225 1.139) 4.631 2.948 ( -5.936 0.618 6.155) 8.573 3.056 ( 16.789 -4.048 -0.938) 17.296 3.158 ( 7.916 1.818 0.194) 8.125 3.205 ( 4.513 -4.079 2.971) 6.770 3.289 ( 5.129 -1.485 0.338) 5.350 3.316 ( 7.979 -3.744 1.571) 8.952 3.471 ( 8.393 -0.991 -1.549) 8.592 3.564 ( 1.831 -1.209 5.980) 6.370 3.587 ( 4.426 -1.979 0.209) 4.853 3.716 ( -2.072 -0.320 -1.260) 2.446 3.831 ( -1.109 5.850 -1.608) 6.168 3.897 ( -0.788 0.364 1.406) 1.653 3.987 ( -5.621 3.078 -2.729) 6.965 4.000 ( 1.713 1.273 -2.310) 3.145 4.134 ( 5.991 -0.821 -2.773) 6.653 4.170 ( 0.201 3.981 0.558) 4.025 4.361 ( -1.705 -4.202 -0.894) 4.622 4.395 ( 1.914 -3.778 -0.587) 4.276 4.414 ( -2.116 -3.028 11.859) 12.421 4.558 ( 1.061 6.123 2.936) 6.873 4.611 ( 0.057 -0.318 -0.239) 0.402 4.655 ( 5.808 6.025 -3.949) 9.254 4.733 ( -0.143 3.824 2.200) 4.414 4.840 ( 3.653 -0.269 -3.786) 5.268 4.912 ( -1.930 -0.555 -0.747) 2.143 4.948 ( -2.797 -2.415 -1.138) 3.867 4.995 ( -2.099 0.836 -0.452) 2.304 5.153 ( -1.610 5.907 -5.471) 8.210 5.252 ( 2.386 0.474 1.022) 2.639 5.290 ( 4.528 -3.276 -0.172) 5.592 5.399 ( 0.095 0.927 3.752) 3.867 5.408 ( 1.053 1.842 1.818) 2.794 5.485 ( 2.150 1.139 1.343) 2.779 5.533 ( 2.987 1.887 1.593) 3.876 5.642 ( -0.145 1.465 4.272) 4.519 5.804 ( 6.314 -1.200 1.754) 6.663 5.901 ( 0.473 2.013 -1.853) 2.777 5.951 ( 1.302 4.647 -0.040) 4.826 6.008 ( -4.224 -1.312 6.400) 7.780 6.120 ( -1.484 -2.579 0.309) 2.991 6.157 ( -0.977 -1.028 0.311) 1.452 6.272 ( 3.643 0.880 -3.154) 4.898 6.382 ( -1.217 -1.882 2.726) 3.529 6.403 ( -1.687 -2.353 -6.578) 7.187 6.472 ( 0.637 -0.275 -1.844) 1.970 6.527 ( -2.556 -5.930 -9.916) 11.833 6.628 ( -2.943 0.971 0.723) 3.182 6.678 ( -2.051 5.277 -1.812) 5.945 6.737 ( 1.337 2.688 -2.133) 3.683 6.795 ( 1.747 -1.477 -0.620) 2.370 6.906 ( 1.520 -0.267 1.364) 2.060 6.988 ( 3.254 1.238 -0.017) 3.481 7.004 ( -3.017 1.593 3.932) 5.206 7.110 ( 3.427 2.766 -7.220) 8.457 7.212 ( 3.959 3.691 -4.729) 7.187 7.316 ( -2.759 0.184 1.183) 3.007 7.407 ( -5.464 0.237 -2.929) 6.204 7.485 ( -0.731 -0.631 5.830) 5.910 7.606 ( 2.192 -5.141 -3.890) 6.810 7.626 ( -4.268 -6.712 1.607) 8.115 7.747 ( 4.488 -1.387 0.898) 4.782 7.919 ( 2.667 2.659 -5.599) 6.748 7.927 ( 1.229 2.830 3.067) 4.350 7.981 ( 3.075 4.092 -0.452) 5.139 8.146 ( 0.461 2.296 -1.658) 2.869 8.322 ( 1.093 -0.265 4.260) 4.406 8.362 ( 6.006 -1.834 1.855) 6.548 8.401 ( 1.862 2.115 5.239) 5.949 8.482 ( -0.324 1.449 1.063) 1.826 8.502 ( -0.765 2.502 -0.999) 2.801 8.718 ( 1.869 0.135 -2.121) 2.830 8.813 ( 1.277 0.244 0.165) 1.311 9.009 ( 6.748 -2.031 -3.851) 8.030 9.078 ( 4.509 -2.638 -0.770) 5.280 9.154 ( 4.765 -1.304 -1.573) 5.185 9.296 ( 10.467 4.878 -2.700) 11.860 9.366 ( 6.896 3.090 2.938) 8.108 9.438 ( 8.220 2.080 -4.095) 9.417 9.545 ( -1.522 -2.641 5.821) 6.571 9.761 ( 0.720 -2.355 3.790) 4.519 9.907 ( 7.868 -1.034 -7.882) 11.185 10.010 ( 2.252 -1.238 4.877) 5.513 10.644 ( 1.758 -8.935 -11.340) 14.544 10.962 ( -4.559 -13.874 14.619) 20.664 16.522 ( 2.124 0.961 0.115) 2.334 16.545 ( 2.041 1.520 -0.129) 2.548 16.835 ( -2.654 0.349 1.590) 3.113 16.861 ( -0.963 0.090 -1.825) 2.066 17.456 ( -0.541 -2.796 -0.171) 2.853 17.478 ( -0.150 -1.015 0.639) 1.209 17.743 ( -0.077 -6.286 -1.406) 6.441 17.853 ( 0.181 -7.108 2.192) 7.441 18.068 ( -1.535 1.242 -2.061) 2.854 18.113 ( -3.499 1.051 1.588) 3.984 18.151 ( -2.999 3.374 1.496) 4.755 18.218 ( -3.001 0.415 -0.058) 3.030 18.453 ( -7.489 4.916 -5.171) 10.344 18.535 ( -10.408 3.802 3.953) 11.765 18.786 ( -9.094 1.595 -1.734) 9.394 18.833 ( -10.246 2.248 2.128) 10.704 21.381 ( 0.571 0.219 -0.730) 0.952 21.407 ( 0.893 -0.128 1.309) 1.590 21.479 ( 0.213 -0.234 -0.133) 0.343 21.502 ( 0.134 -0.391 0.231) 0.473 21.813 ( 0.084 -0.006 0.071) 0.110 21.825 ( 0.172 -0.114 -0.130) 0.244 21.871 ( -1.063 -0.231 -0.527) 1.209 21.883 ( -0.709 -0.407 -0.554) 0.988 26.785 ( -0.050 0.709 -0.267) 0.759 26.793 ( 0.042 1.190 0.167) 1.202 26.927 ( -0.183 -1.574 -0.007) 1.585 26.939 ( -0.133 -1.399 -0.019) 1.405 27.251 ( 2.337 0.603 -0.275) 2.429 27.258 ( 2.279 0.520 0.476) 2.386 27.316 ( 1.302 0.594 -0.321) 1.467 27.332 ( 1.446 0.829 0.452) 1.727 35.137 ( -8.587 6.692 2.143) 11.095 35.461 ( -7.535 -0.504 -5.172) 9.153 35.554 ( 1.347 2.693 0.982) 3.168 35.869 ( 1.927 -0.192 -1.644) 2.540 36.295 ( -2.314 4.232 0.563) 4.856 36.360 ( 1.845 8.261 1.413) 8.581 36.922 ( -5.986 -3.372 -9.738) 11.918 37.420 ( -12.985 -7.684 4.136) 15.645 38.133 ( -3.910 0.869 4.430) 5.972 38.255 ( -4.367 -0.261 -4.294) 6.130 38.562 ( 1.505 -7.079 -1.870) 7.475 38.753 ( 2.946 -11.454 4.467) 12.642 39.078 ( 18.097 1.326 -5.744) 19.033 39.269 ( 27.338 -0.025 -2.651) 27.466 39.592 ( 10.422 15.659 2.774) 19.014 40.473 ( 14.275 -4.878 18.109) 23.570 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 1.782 4.100 -1.491) 4.712 1.466 ( 12.662 1.521 -9.172) 15.708 1.770 ( 7.926 13.289 -0.200) 15.475 1.840 ( 6.722 5.882 3.862) 9.731 2.235 ( -4.058 2.906 0.831) 5.059 2.332 ( -1.421 4.335 0.372) 4.577 2.417 ( -4.249 -0.414 0.986) 4.381 2.463 ( -2.466 -2.358 1.025) 3.562 2.665 ( -0.640 -2.946 -1.174) 3.235 2.682 ( -1.631 -1.313 4.173) 4.669 2.800 ( 2.247 -1.916 1.506) 3.315 2.908 ( 1.037 -2.635 4.416) 5.246 2.991 ( 4.802 1.330 1.822) 5.305 3.243 ( 3.340 -5.326 -0.737) 6.329 3.287 ( -0.802 -1.799 -1.702) 2.603 3.312 ( 4.914 -5.512 -3.439) 8.146 3.398 ( -0.609 -3.628 2.732) 4.582 3.413 ( 11.643 -2.266 2.777) 12.182 3.569 ( -0.553 -3.615 0.872) 3.759 3.620 ( 4.087 2.220 -3.191) 5.641 3.700 ( 3.599 3.255 5.343) 7.217 3.735 ( 9.534 3.316 1.295) 10.177 3.808 ( -0.691 0.485 -1.675) 1.876 3.893 ( 3.426 10.273 -1.609) 10.948 3.925 ( -0.009 0.656 3.059) 3.129 4.017 ( 2.746 2.558 -3.003) 4.807 4.203 ( 3.237 -0.094 -1.152) 3.438 4.241 ( 9.173 0.404 -3.686) 9.894 4.331 ( -3.695 -2.753 4.085) 6.158 4.418 ( 0.141 -3.050 -3.608) 4.727 4.485 ( 1.931 -5.423 0.829) 5.816 4.625 ( 5.149 3.006 1.223) 6.087 4.647 ( 1.946 -1.857 5.354) 5.991 4.729 ( -4.190 1.874 0.269) 4.598 4.781 ( 7.338 6.026 1.256) 9.578 4.847 ( 0.919 -1.345 -1.827) 2.448 4.860 ( -3.562 -3.549 -0.970) 5.121 4.914 ( -0.526 -1.299 4.544) 4.755 4.962 ( -0.921 0.908 0.155) 1.303 5.104 ( 4.142 12.060 -4.626) 13.564 5.254 ( -3.263 2.595 -1.180) 4.332 5.284 ( -1.321 1.688 0.574) 2.219 5.381 ( 0.844 -2.286 -3.490) 4.256 5.518 ( 4.390 -0.681 6.375) 7.770 5.571 ( -0.991 0.672 2.630) 2.890 5.636 ( 4.058 -1.830 6.341) 7.748 5.709 ( 4.241 1.300 1.601) 4.716 5.795 ( -2.854 -4.030 -0.270) 4.946 5.881 ( -0.479 3.341 -2.417) 4.152 6.001 ( 0.953 1.066 3.581) 3.856 6.046 ( -0.448 -0.170 1.717) 1.783 6.148 ( 6.157 0.253 2.306) 6.580 6.204 ( 0.085 -0.411 5.042) 5.059 6.250 ( -0.413 -1.022 -0.995) 1.485 6.340 ( -1.250 2.788 -0.809) 3.160 6.367 ( -1.339 -1.876 -11.548) 11.775 6.411 ( 0.038 -2.081 1.808) 2.757 6.487 ( 1.024 0.930 0.461) 1.458 6.599 ( 2.079 0.333 -4.633) 5.089 6.638 ( 0.014 0.500 -0.433) 0.662 6.714 ( -1.352 0.928 -3.112) 3.518 6.853 ( 2.960 -2.634 0.254) 3.970 6.931 ( 1.222 3.167 -4.109) 5.330 6.978 ( -2.654 3.128 2.694) 4.908 7.013 ( 2.061 -1.386 -5.853) 6.358 7.112 ( 1.473 2.519 -0.750) 3.013 7.199 ( 0.798 -2.403 -2.983) 3.913 7.220 ( -2.687 3.254 -2.420) 4.865 7.321 ( -1.872 1.724 -0.117) 2.547 7.531 ( -4.611 0.869 5.957) 7.583 7.564 ( 2.828 -0.783 -3.380) 4.476 7.613 ( -0.685 -5.373 -0.383) 5.430 7.811 ( 1.146 6.056 -2.090) 6.508 7.874 ( 2.445 -0.332 -3.688) 4.437 7.966 ( -0.571 4.831 0.301) 4.874 8.071 ( 1.997 3.265 -3.999) 5.535 8.165 ( 4.626 -1.530 4.751) 6.805 8.375 ( -0.405 -1.084 4.557) 4.701 8.440 ( 0.298 -0.664 3.024) 3.110 8.472 ( 0.632 3.944 0.187) 3.999 8.503 ( 1.290 -0.116 4.350) 4.539 8.547 ( 5.163 -0.947 0.739) 5.301 8.734 ( 2.901 0.855 -2.474) 3.907 8.834 ( 1.362 0.159 -0.459) 1.446 9.065 ( 5.238 -1.290 -3.056) 6.200 9.085 ( 2.461 -2.154 -6.456) 7.237 9.260 ( 4.520 -3.196 3.114) 6.352 9.424 ( 4.006 -3.548 0.138) 5.353 9.509 ( 10.828 1.617 -4.836) 11.969 9.538 ( 5.686 2.839 3.839) 7.425 9.592 ( 2.008 -0.366 2.087) 2.919 9.803 ( -1.403 -2.685 5.945) 6.673 9.980 ( 9.304 -1.804 -6.907) 11.728 10.082 ( 0.556 -1.706 3.136) 3.613 10.564 ( 0.332 -4.983 -6.568) 8.251 10.917 ( -12.861 -10.130 5.415) 17.244 16.562 ( 2.864 1.258 -0.598) 3.185 16.584 ( 2.257 2.184 0.476) 3.177 16.802 ( -3.148 0.461 1.563) 3.545 16.818 ( -1.665 0.443 -1.926) 2.585 17.450 ( -0.319 -2.428 0.436) 2.488 17.480 ( -0.166 -0.839 0.082) 0.859 17.746 ( 1.470 -6.598 -0.215) 6.763 17.866 ( -1.290 -7.499 1.654) 7.787 18.019 ( -2.016 -0.373 -1.388) 2.475 18.050 ( -4.317 0.159 -0.003) 4.320 18.110 ( -3.300 1.770 0.215) 3.751 18.158 ( -3.094 -0.049 -0.646) 3.161 18.327 ( -2.480 5.483 -2.253) 6.426 18.407 ( -8.355 4.051 2.586) 9.639 18.641 ( -5.873 2.205 -0.690) 6.311 18.690 ( -8.918 2.423 2.327) 9.530 21.385 ( 0.782 0.421 -0.413) 0.979 21.426 ( -0.424 0.180 0.923) 1.032 21.489 ( 0.586 -1.219 0.755) 1.549 21.506 ( 0.042 -0.677 0.266) 0.729 21.817 ( 0.252 0.154 0.130) 0.323 21.826 ( 0.188 0.061 -0.243) 0.313 21.850 ( -0.491 0.157 -0.802) 0.954 21.865 ( -0.717 -0.188 -0.517) 0.904 26.782 ( 0.105 0.669 -0.271) 0.730 26.793 ( -0.143 1.264 -0.030) 1.272 26.928 ( 0.318 -1.929 0.176) 1.963 26.940 ( 0.070 -1.502 0.299) 1.533 27.288 ( 2.190 0.529 -0.074) 2.255 27.298 ( 1.875 0.389 0.271) 1.934 27.341 ( 1.351 0.329 0.303) 1.423 27.360 ( 1.150 0.684 0.295) 1.371 35.043 ( -5.648 5.791 3.233) 8.711 35.301 ( -4.484 0.529 -5.618) 7.207 35.590 ( 0.691 1.895 3.037) 3.646 35.867 ( 1.445 -0.566 -3.872) 4.172 36.267 ( -0.749 3.592 -0.155) 3.672 36.417 ( 0.638 8.046 1.775) 8.264 36.788 ( 1.246 -3.487 -6.031) 7.077 37.244 ( -11.902 -5.521 2.029) 13.276 38.127 ( -3.372 1.606 4.873) 6.140 38.168 ( -0.345 0.107 -4.199) 4.215 38.547 ( 0.673 -6.790 -2.384) 7.228 38.759 ( -2.676 -10.131 -1.912) 10.652 39.349 ( 15.492 4.171 2.470) 16.232 39.681 ( 18.977 0.421 2.265) 19.116 39.818 ( 14.253 8.940 0.909) 16.850 40.730 ( -2.163 -7.811 9.796) 12.714 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.054 0.629 6.107) 7.357 1.681 ( 13.314 2.748 3.156) 13.956 1.850 ( 4.105 8.318 -7.967) 12.227 1.949 ( 0.795 5.203 5.385) 7.530 2.133 ( -10.049 6.112 -1.765) 11.893 2.289 ( 0.583 9.354 -5.182) 10.709 2.366 ( 3.408 -0.190 1.627) 3.781 2.430 ( -0.067 -1.076 -0.078) 1.080 2.543 ( -7.550 -4.280 -0.442) 8.690 2.634 ( -6.321 1.878 -3.494) 7.463 2.881 ( 0.004 -2.255 4.378) 4.925 2.954 ( 1.605 -3.064 -0.080) 3.459 3.125 ( 1.336 0.335 6.718) 6.858 3.221 ( -2.686 -3.077 -0.932) 4.190 3.266 ( 2.723 -5.621 0.836) 6.301 3.353 ( -1.794 -1.628 3.358) 4.141 3.382 ( 4.593 -3.676 -4.162) 7.206 3.480 ( -1.643 -5.200 1.914) 5.779 3.581 ( 2.722 0.613 -1.842) 3.343 3.650 ( -1.885 -0.733 -3.441) 3.991 3.739 ( -0.947 1.095 5.249) 5.445 3.842 ( 2.185 4.346 3.680) 6.100 3.866 ( 1.495 4.344 2.450) 5.206 3.993 ( 5.600 -0.681 -2.350) 6.111 4.012 ( 6.162 5.857 -0.555) 8.520 4.022 ( 0.819 2.257 -0.614) 2.478 4.193 ( -1.339 1.642 -3.064) 3.726 4.304 ( -2.296 1.077 -7.329) 7.755 4.320 ( -2.758 -1.975 4.978) 6.024 4.382 ( 7.426 -3.124 -2.175) 8.345 4.535 ( 5.093 -2.527 -3.838) 6.860 4.596 ( -5.818 -1.911 -1.369) 6.275 4.685 ( -0.961 -1.791 2.304) 3.073 4.758 ( 2.439 -2.797 1.005) 3.845 4.806 ( -1.902 0.048 1.039) 2.168 4.847 ( 3.364 3.426 -3.366) 5.864 4.890 ( -0.165 -1.309 5.287) 5.449 4.954 ( -1.335 -0.245 5.090) 5.268 4.995 ( 2.691 0.167 2.420) 3.623 5.167 ( 2.400 6.530 -0.137) 6.958 5.231 ( 3.768 1.904 -4.708) 6.324 5.237 ( -2.331 3.291 -1.696) 4.375 5.389 ( 6.168 -0.999 -3.054) 6.955 5.507 ( -10.314 1.227 3.382) 10.923 5.656 ( 2.293 -0.605 5.910) 6.368 5.704 ( 1.107 2.757 4.411) 5.318 5.778 ( 2.543 -2.543 3.212) 4.822 5.806 ( -1.778 3.118 1.749) 3.993 5.882 ( 0.286 -5.285 1.794) 5.588 6.002 ( 0.066 -1.939 1.304) 2.337 6.086 ( 1.690 1.974 0.058) 2.599 6.188 ( -4.559 0.586 2.183) 5.088 6.230 ( -0.094 -0.961 -10.170) 10.216 6.263 ( 1.993 -1.438 -0.502) 2.508 6.301 ( 5.101 2.146 2.614) 6.120 6.357 ( 0.146 1.791 4.532) 4.875 6.441 ( -0.256 1.996 4.235) 4.689 6.504 ( 0.453 2.329 0.847) 2.519 6.586 ( -0.046 -1.803 -4.786) 5.115 6.617 ( -0.451 -2.111 -5.517) 5.924 6.674 ( 1.664 1.946 -0.533) 2.616 6.823 ( -0.251 5.971 -12.607) 13.952 6.869 ( 1.314 -4.104 0.395) 4.327 6.987 ( -0.825 -2.774 -2.453) 3.794 7.040 ( 2.264 -0.594 3.489) 4.201 7.078 ( -1.038 0.714 -0.901) 1.549 7.157 ( 0.089 -0.556 -0.169) 0.587 7.245 ( -1.974 0.073 1.158) 2.290 7.329 ( 1.240 2.821 3.526) 4.683 7.537 ( -0.307 -0.452 -4.488) 4.521 7.546 ( 0.940 -0.181 0.472) 1.067 7.608 ( -1.550 6.570 3.273) 7.502 7.794 ( 1.339 4.378 -1.769) 4.908 7.882 ( 0.405 1.838 -0.917) 2.094 7.926 ( -2.285 3.871 -2.353) 5.074 8.010 ( -0.320 5.353 -7.049) 8.857 8.299 ( 2.687 -2.511 5.321) 6.468 8.414 ( -0.058 -1.320 3.328) 3.581 8.455 ( -0.327 1.776 -0.514) 1.877 8.467 ( 0.226 -0.456 -1.662) 1.738 8.571 ( -0.460 -1.587 5.397) 5.644 8.636 ( 1.873 -0.370 4.328) 4.730 8.751 ( 2.115 0.733 -2.788) 3.575 8.845 ( 0.827 0.874 -1.495) 1.919 9.050 ( -0.717 -2.808 -1.652) 3.336 9.122 ( 4.583 -2.295 -3.373) 6.136 9.346 ( 3.020 -3.890 1.208) 5.071 9.420 ( -2.424 -5.015 -0.751) 5.620 9.585 ( 0.283 -1.175 1.821) 2.185 9.644 ( 3.936 1.576 -2.252) 4.801 9.729 ( 11.168 0.983 0.706) 11.234 9.847 ( -1.278 -3.557 5.525) 6.694 10.045 ( 6.044 -0.665 -5.853) 8.440 10.086 ( -1.923 -1.991 -0.164) 2.773 10.535 ( 1.520 -3.378 -0.023) 3.704 10.708 ( -13.094 -5.965 0.005) 14.389 16.604 ( 2.507 1.821 -0.387) 3.122 16.617 ( 0.710 2.397 0.166) 2.506 16.764 ( -3.282 0.504 1.617) 3.693 16.780 ( 0.344 0.156 -1.886) 1.924 17.453 ( -0.091 -2.023 0.793) 2.174 17.475 ( -0.089 -1.198 -0.465) 1.288 17.784 ( 2.498 -6.497 0.671) 6.993 17.843 ( -2.515 -7.394 0.312) 7.816 17.977 ( -1.438 -0.805 -0.443) 1.707 17.988 ( -2.094 -0.847 -0.714) 2.369 18.071 ( -0.832 -0.015 0.178) 0.851 18.106 ( -2.276 -0.562 -0.537) 2.405 18.305 ( 1.430 5.618 -1.066) 5.894 18.323 ( -3.883 5.177 1.197) 6.581 18.584 ( -0.790 2.438 0.272) 2.577 18.597 ( -4.562 2.669 1.812) 5.587 21.398 ( 1.048 0.532 -0.076) 1.178 21.417 ( -1.056 0.472 0.136) 1.165 21.505 ( 0.097 -1.450 0.824) 1.671 21.511 ( 0.167 -1.120 0.268) 1.163 21.823 ( 0.127 0.297 0.113) 0.342 21.827 ( 0.286 0.223 -0.311) 0.477 21.840 ( 0.069 0.140 -0.387) 0.417 21.849 ( -0.649 -0.048 -0.392) 0.759 26.782 ( -0.015 0.765 0.057) 0.768 26.789 ( 0.004 1.041 -0.384) 1.109 26.938 ( 0.372 -1.950 0.361) 2.018 26.944 ( -0.024 -1.755 0.224) 1.769 27.318 ( 1.214 0.505 0.151) 1.324 27.323 ( 0.709 0.579 0.186) 0.935 27.360 ( 0.361 -0.041 0.549) 0.658 27.373 ( 0.302 0.434 -0.097) 0.537 35.021 ( -1.864 4.487 4.510) 6.629 35.189 ( -1.423 1.887 -5.976) 6.426 35.646 ( 0.682 0.979 5.106) 5.244 35.835 ( 0.996 -0.719 -5.979) 6.104 36.274 ( 0.844 3.875 1.336) 4.185 36.384 ( -3.086 6.094 -2.264) 7.196 36.850 ( 7.905 -3.570 0.895) 8.720 37.064 ( -10.226 -4.048 -0.748) 11.024 38.110 ( -4.300 1.832 3.969) 6.131 38.153 ( 3.342 0.383 -3.700) 5.001 38.558 ( 2.461 -7.159 -0.426) 7.582 38.666 ( -4.320 -7.433 -3.119) 9.146 39.610 ( 9.692 5.206 5.131) 12.140 39.824 ( 0.439 6.299 -1.852) 6.580 40.171 ( 19.451 -1.733 6.518) 20.587 40.635 ( -13.657 -6.110 -0.600) 14.973 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -12.149 8.663 4.719) 15.649 1.747 ( -15.853 -0.051 -1.347) 15.910 1.789 ( 4.390 1.927 -6.228) 7.860 1.969 ( 6.809 4.279 1.461) 8.173 2.135 ( 3.307 11.882 5.167) 13.372 2.251 ( 5.888 8.117 -6.916) 12.181 2.401 ( -3.629 -1.596 -0.183) 3.969 2.438 ( -1.573 -0.327 -1.552) 2.234 2.511 ( 2.168 -2.119 1.395) 3.337 2.583 ( 9.420 0.398 2.128) 9.666 2.900 ( -2.117 -4.220 3.872) 6.106 2.955 ( -0.628 0.071 -1.543) 1.667 3.169 ( -0.035 -5.050 3.543) 6.169 3.194 ( 0.701 -5.294 0.320) 5.350 3.248 ( -6.485 -3.829 4.112) 8.580 3.378 ( -5.164 1.127 -5.417) 7.568 3.455 ( 3.811 -2.153 3.090) 5.358 3.462 ( 4.961 -1.078 -4.964) 7.100 3.578 ( -0.928 -3.032 -1.703) 3.599 3.615 ( 2.364 0.042 -0.676) 2.459 3.783 ( -3.641 0.697 6.767) 7.716 3.841 ( -4.681 3.345 1.146) 5.866 3.874 ( -2.027 6.047 1.023) 6.459 3.973 ( -3.245 2.791 -5.526) 6.990 3.985 ( -4.462 3.201 0.094) 5.493 4.092 ( 3.260 -0.682 0.382) 3.352 4.144 ( -3.199 2.581 3.321) 5.285 4.215 ( 1.742 0.681 -4.973) 5.313 4.311 ( -5.375 -3.497 4.115) 7.620 4.455 ( -2.905 -3.413 1.466) 4.715 4.479 ( 1.107 0.272 -6.100) 6.206 4.586 ( 3.385 -1.891 -0.660) 3.933 4.718 ( 2.292 1.457 1.462) 3.084 4.740 ( -0.444 -1.003 -1.812) 2.118 4.804 ( -1.693 -1.444 0.861) 2.386 4.847 ( 0.478 -0.237 -2.080) 2.147 4.926 ( -1.519 -1.183 3.564) 4.050 4.987 ( 1.662 -1.192 -0.357) 2.076 5.074 ( -0.100 2.529 4.810) 5.435 5.161 ( -0.210 3.878 -4.234) 5.745 5.191 ( 1.864 -0.903 -1.296) 2.443 5.229 ( 2.378 1.634 -3.611) 4.622 5.321 ( -12.892 1.515 3.143) 13.356 5.519 ( 5.668 -0.224 1.786) 5.947 5.702 ( -0.979 2.325 2.290) 3.408 5.740 ( 0.008 2.838 -1.210) 3.085 5.829 ( -3.391 0.384 0.149) 3.416 5.872 ( 4.764 -0.071 3.229) 5.756 5.906 ( 0.329 -4.489 10.704) 11.612 5.975 ( -2.990 -4.991 -10.356) 11.879 6.053 ( -3.729 -2.520 4.744) 6.540 6.102 ( -2.552 0.806 -5.463) 6.084 6.191 ( -1.945 -0.908 2.808) 3.535 6.286 ( 4.108 1.576 -3.168) 5.422 6.388 ( -0.286 1.277 4.692) 4.871 6.414 ( 0.232 0.432 4.862) 4.887 6.448 ( -0.120 7.877 -2.321) 8.213 6.470 ( -1.960 -1.201 -10.134) 10.391 6.534 ( -2.839 1.931 6.078) 6.981 6.623 ( 2.562 0.720 2.580) 3.706 6.687 ( 2.534 0.056 -5.359) 5.929 6.712 ( 1.948 3.328 -7.106) 8.086 6.911 ( -1.614 -3.229 -4.262) 5.585 6.937 ( 2.984 -3.341 1.481) 4.718 7.061 ( 0.355 -1.935 -0.033) 1.968 7.090 ( 1.116 -1.694 -2.443) 3.175 7.170 ( -3.367 -0.281 3.298) 4.721 7.234 ( 1.820 2.518 2.119) 3.761 7.384 ( -2.109 0.303 4.837) 5.286 7.431 ( -1.547 -1.800 -4.436) 5.031 7.542 ( -6.428 7.653 0.907) 10.035 7.657 ( 5.438 6.979 1.131) 8.920 7.817 ( -1.272 1.552 2.320) 3.067 7.841 ( -1.976 3.874 -5.211) 6.787 7.885 ( -0.868 3.770 3.766) 5.399 7.968 ( 3.669 4.361 -4.011) 6.969 8.371 ( -0.254 -0.474 5.068) 5.097 8.399 ( -2.278 -0.827 -4.357) 4.985 8.438 ( -0.997 -1.580 1.672) 2.507 8.460 ( 0.219 0.469 -0.760) 0.919 8.600 ( -2.781 -1.531 5.505) 6.355 8.685 ( 1.558 -0.464 -1.588) 2.272 8.745 ( -2.588 0.228 2.431) 3.558 8.812 ( -1.015 0.955 -4.729) 4.930 9.027 ( -4.168 -2.927 4.308) 6.670 9.117 ( 0.192 -2.864 -5.208) 5.947 9.352 ( -4.010 -3.578 0.653) 5.413 9.406 ( 1.911 -4.142 0.775) 4.626 9.575 ( -3.071 -1.317 0.750) 3.424 9.664 ( 1.979 1.620 -3.283) 4.162 9.793 ( -6.138 -2.972 0.193) 6.823 9.890 ( 4.563 -1.161 -2.759) 5.457 10.021 ( -4.058 -1.649 -1.862) 4.759 10.071 ( 1.985 -1.764 -0.763) 2.763 10.536 ( -6.996 -2.906 0.384) 7.585 10.651 ( 9.266 -4.601 4.986) 11.484 16.595 ( -2.695 2.089 0.325) 3.425 16.630 ( 0.216 2.011 -0.900) 2.214 16.743 ( -0.553 0.860 1.774) 2.047 16.796 ( 3.204 0.037 -1.597) 3.581 17.460 ( -0.208 -1.542 0.510) 1.638 17.471 ( 0.442 -1.524 -0.413) 1.640 17.798 ( -2.321 -7.017 -0.694) 7.423 17.838 ( 2.817 -6.179 0.799) 6.838 17.967 ( 0.412 -1.393 0.401) 1.507 17.982 ( 1.933 -0.774 -0.098) 2.085 18.075 ( -0.701 -0.141 -0.140) 0.729 18.088 ( 1.678 -0.561 1.041) 2.053 18.296 ( -0.123 5.726 0.147) 5.729 18.350 ( 5.508 4.766 -1.656) 7.469 18.572 ( -0.126 2.904 1.451) 3.249 18.620 ( 4.659 2.117 -0.332) 5.128 21.398 ( -1.080 0.537 -0.067) 1.208 21.418 ( 1.223 0.529 0.042) 1.333 21.508 ( -0.370 -1.110 0.365) 1.226 21.517 ( 0.396 -1.704 -0.111) 1.753 21.823 ( -0.080 0.278 0.024) 0.291 21.829 ( 0.302 0.336 -0.462) 0.646 21.836 ( -0.596 0.117 -0.051) 0.610 21.843 ( 0.343 -0.003 0.202) 0.398 26.779 ( -0.449 0.820 0.213) 0.959 26.790 ( 0.520 0.934 -0.348) 1.124 26.942 ( -0.363 -2.055 0.063) 2.088 26.946 ( 0.192 -1.774 0.025) 1.784 27.318 ( -1.317 0.672 0.149) 1.486 27.327 ( -0.489 0.628 -0.172) 0.814 27.364 ( -0.684 0.045 0.430) 0.809 27.372 ( -0.082 0.060 -0.152) 0.183 35.073 ( 1.484 3.271 5.375) 6.464 35.128 ( 1.928 3.604 -5.946) 7.215 35.715 ( 0.487 0.017 5.465) 5.487 35.773 ( 0.350 -0.366 -7.210) 7.228 36.292 ( -2.873 4.030 0.628) 4.989 36.342 ( 2.797 5.725 0.550) 6.396 36.876 ( -9.260 -3.284 -1.314) 9.913 37.036 ( 10.494 -3.784 1.613) 11.272 38.081 ( -3.306 1.512 3.355) 4.947 38.192 ( 5.703 0.442 -3.947) 6.950 38.555 ( -4.865 -6.383 -0.237) 8.029 38.625 ( 3.640 -7.533 0.702) 8.396 39.707 ( -9.114 4.689 -3.865) 10.954 39.767 ( 2.091 7.073 3.437) 8.137 40.296 ( -21.198 -3.724 -5.424) 22.196 40.547 ( 14.626 -5.139 8.122) 17.501 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -19.364 12.583 1.926) 23.173 1.406 ( -14.736 7.076 2.510) 16.538 1.772 ( -4.061 0.231 -4.480) 6.051 2.017 ( 0.741 9.042 -7.714) 11.909 2.185 ( 1.341 5.641 5.780) 8.187 2.301 ( 3.585 5.251 1.682) 6.577 2.457 ( 4.590 0.071 0.019) 4.591 2.482 ( 8.220 -1.841 -2.481) 8.781 2.577 ( 0.522 -6.951 2.030) 7.260 2.718 ( 1.998 0.122 1.387) 2.435 2.886 ( -1.864 -4.662 -2.866) 5.781 2.954 ( 2.237 -4.032 1.016) 4.721 3.075 ( -9.965 -3.559 -3.904) 11.279 3.191 ( -3.979 0.016 2.333) 4.612 3.228 ( -2.934 -4.742 1.990) 5.921 3.291 ( -0.320 1.777 -0.688) 1.933 3.407 ( -4.719 -0.639 0.976) 4.861 3.487 ( -7.930 -1.387 -2.622) 8.467 3.554 ( 2.439 -3.317 0.942) 4.223 3.633 ( -3.345 3.760 -1.229) 5.180 3.682 ( -12.194 3.599 3.653) 13.228 3.747 ( -5.416 6.012 0.267) 8.096 3.827 ( -5.520 -0.187 3.122) 6.344 3.861 ( 0.346 -0.149 -3.131) 3.154 3.939 ( 1.048 4.032 -2.874) 5.061 4.087 ( -5.628 -0.842 -0.010) 5.691 4.123 ( 0.287 -0.181 -1.882) 1.913 4.231 ( -1.142 -0.152 -0.433) 1.231 4.300 ( 2.882 0.870 5.723) 6.466 4.395 ( -3.873 -0.331 3.732) 5.389 4.473 ( 2.272 -3.705 -5.421) 6.948 4.608 ( -2.132 1.321 1.944) 3.173 4.720 ( -3.965 1.397 2.977) 5.151 4.751 ( 0.122 1.642 -1.883) 2.501 4.781 ( 3.029 -2.268 -4.409) 5.810 4.855 ( 3.553 -4.668 -0.835) 5.926 4.917 ( -1.171 -3.996 -1.164) 4.323 4.992 ( 1.997 1.373 -3.763) 4.476 5.033 ( -2.484 7.470 -0.370) 7.881 5.108 ( -1.165 0.707 -10.828) 10.914 5.235 ( -0.407 0.184 3.599) 3.626 5.249 ( 2.657 1.923 3.797) 5.018 5.268 ( 0.111 0.653 4.437) 4.486 5.573 ( -0.160 -1.604 1.547) 2.234 5.637 ( -7.227 -1.381 -3.255) 8.045 5.717 ( -3.703 0.259 0.470) 3.742 5.757 ( -3.111 3.419 -3.776) 5.969 5.835 ( -5.298 -3.446 0.040) 6.321 5.855 ( -0.494 -2.331 -5.040) 5.575 6.013 ( -2.024 -2.365 9.905) 10.383 6.046 ( -0.171 0.847 4.838) 4.915 6.102 ( -0.390 -1.554 -0.052) 1.603 6.172 ( -0.114 -0.699 -0.390) 0.809 6.282 ( -4.771 1.306 -6.318) 8.024 6.316 ( 1.515 2.781 -4.404) 5.424 6.398 ( 0.566 -0.038 -3.091) 3.142 6.441 ( -0.904 1.697 5.944) 6.248 6.466 ( -1.210 2.254 1.238) 2.842 6.546 ( -1.806 0.873 3.001) 3.610 6.638 ( 2.965 -1.495 -5.649) 6.553 6.694 ( 1.631 1.728 -4.085) 4.726 6.748 ( 2.639 6.639 7.556) 10.399 6.853 ( -1.688 -4.230 -0.922) 4.647 6.958 ( -2.209 -2.068 1.303) 3.295 7.055 ( -1.660 1.189 -1.042) 2.292 7.108 ( 4.349 0.611 -0.163) 4.394 7.164 ( 1.302 -1.803 -0.371) 2.255 7.286 ( -3.059 -0.936 -7.245) 7.919 7.294 ( -0.007 2.528 2.761) 3.744 7.421 ( -4.682 1.066 6.282) 7.907 7.504 ( 0.546 3.697 5.435) 6.596 7.741 ( -3.242 0.412 -2.405) 4.057 7.752 ( 3.742 6.928 0.331) 7.881 7.812 ( -1.320 0.396 1.512) 2.046 7.951 ( 1.322 4.351 5.051) 6.796 8.005 ( 2.582 5.055 -1.501) 5.871 8.275 ( -5.608 -4.796 -5.617) 9.274 8.407 ( -1.345 1.440 3.280) 3.827 8.432 ( -2.177 -1.702 2.053) 3.443 8.453 ( 0.602 -0.226 -1.111) 1.284 8.598 ( -2.697 -0.138 2.241) 3.509 8.648 ( -0.330 -0.251 -7.034) 7.046 8.689 ( -5.132 0.326 -0.968) 5.232 8.755 ( -3.328 2.012 3.183) 5.026 8.988 ( -6.261 -1.224 4.954) 8.077 9.049 ( -2.285 -1.116 -2.496) 3.563 9.294 ( -3.596 -2.368 0.519) 4.336 9.426 ( -1.744 -4.040 1.252) 4.575 9.475 ( -7.903 -2.726 -3.976) 9.258 9.635 ( -1.031 -1.231 -2.866) 3.286 9.670 ( -2.657 2.951 -4.874) 6.287 9.864 ( -5.694 -3.021 -0.643) 6.477 9.934 ( -1.456 -2.173 -3.796) 4.610 10.095 ( -0.622 -3.973 2.692) 4.839 10.459 ( -5.328 -0.825 3.049) 6.194 10.914 ( 13.319 -8.569 5.349) 16.716 16.549 ( -2.911 1.597 0.464) 3.353 16.600 ( -1.921 1.713 -0.855) 2.712 16.780 ( 1.944 1.566 1.692) 3.015 16.834 ( 3.110 0.043 -1.611) 3.503 17.457 ( -0.179 -1.987 -0.224) 2.008 17.482 ( 1.024 -0.565 -0.072) 1.172 17.754 ( -1.813 -6.894 -0.908) 7.186 17.886 ( 1.994 -5.939 0.006) 6.265 17.993 ( 1.201 -1.544 0.866) 2.139 18.041 ( 3.989 -0.348 1.275) 4.203 18.092 ( 2.523 1.352 1.252) 3.124 18.140 ( 2.863 0.701 0.687) 3.027 18.317 ( 2.843 5.162 -0.469) 5.912 18.455 ( 9.403 3.173 -2.341) 10.197 18.625 ( 4.934 2.983 1.079) 5.866 18.727 ( 8.679 1.625 -1.169) 8.907 21.382 ( -0.837 0.510 0.008) 0.980 21.438 ( 1.120 0.415 -0.241) 1.218 21.504 ( -0.369 -1.192 -0.159) 1.257 21.516 ( -0.102 -1.858 -0.825) 2.035 21.821 ( -0.291 0.177 -0.060) 0.346 21.824 ( -0.081 0.118 -0.191) 0.239 21.834 ( 0.056 0.464 0.467) 0.661 21.854 ( 0.417 -0.049 0.603) 0.735 26.774 ( -0.433 0.701 0.340) 0.892 26.797 ( 0.615 1.151 -0.259) 1.331 26.933 ( -0.546 -2.287 -0.197) 2.359 26.947 ( -0.002 -1.523 -0.237) 1.542 27.287 ( -2.359 0.739 0.067) 2.472 27.302 ( -2.051 0.428 -0.170) 2.102 27.347 ( -1.443 0.305 -0.191) 1.487 27.363 ( -0.907 0.241 -0.069) 0.941 35.127 ( 5.522 5.842 -4.813) 9.369 35.186 ( 4.441 2.276 5.344) 7.311 35.685 ( -1.206 0.159 -6.451) 6.565 35.784 ( 0.718 -0.220 4.069) 4.138 36.258 ( -1.074 3.955 0.631) 4.147 36.420 ( 3.081 7.420 2.025) 8.285 36.721 ( -6.864 -2.401 -0.220) 7.275 37.240 ( 10.741 -5.288 2.146) 12.163 38.087 ( -0.154 0.951 3.761) 3.882 38.237 ( 5.155 0.335 -5.825) 7.786 38.498 ( -2.502 -5.578 2.401) 6.568 38.701 ( 2.489 -9.307 2.928) 10.069 39.438 ( -15.840 3.177 -5.161) 16.960 39.746 ( -11.321 3.592 -2.372) 12.112 39.849 ( -19.690 4.375 -3.286) 20.436 40.814 ( 8.436 -9.868 3.014) 13.328 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -16.857 9.760 13.492) 23.695 1.285 ( -11.705 15.329 12.132) 22.785 1.646 ( -2.359 2.440 -5.280) 6.276 1.909 ( -0.277 12.324 -11.943) 17.164 2.247 ( -8.591 2.931 12.402) 15.369 2.357 ( -6.125 6.085 -0.372) 8.642 2.413 ( -10.240 -5.423 -1.910) 11.744 2.473 ( -9.207 -3.310 -6.601) 11.802 2.543 ( 1.545 1.704 -1.032) 2.521 2.678 ( -2.967 -2.903 -5.374) 6.791 2.780 ( -3.837 -9.068 -5.167) 11.120 2.898 ( -6.798 -5.235 3.330) 9.204 3.028 ( 2.689 -4.300 -0.977) 5.165 3.044 ( -10.191 4.049 -2.930) 11.351 3.155 ( -3.767 9.090 1.567) 9.963 3.263 ( -6.690 -5.210 -1.311) 8.580 3.289 ( -1.127 -0.266 1.448) 1.854 3.350 ( -9.079 -2.242 -1.400) 9.456 3.460 ( -10.500 -0.407 -1.084) 10.563 3.578 ( -0.438 3.763 -1.179) 3.968 3.614 ( 0.773 -4.682 1.866) 5.099 3.750 ( -4.092 4.496 -2.293) 6.498 3.803 ( 1.135 0.721 7.018) 7.146 3.855 ( 2.703 1.203 -2.365) 3.787 3.946 ( 1.395 -0.847 -2.149) 2.698 4.012 ( -2.269 -1.720 1.481) 3.210 4.092 ( 1.029 -0.246 -3.544) 3.698 4.228 ( 1.256 2.201 -2.112) 3.298 4.348 ( -0.460 -2.476 2.053) 3.249 4.413 ( -2.893 -0.744 -3.478) 4.585 4.460 ( 2.571 0.088 7.066) 7.519 4.597 ( 2.531 5.748 -1.806) 6.536 4.633 ( -8.942 3.899 1.144) 9.822 4.712 ( 1.288 -4.652 -7.440) 8.869 4.787 ( 1.685 2.494 -3.483) 4.603 4.864 ( -0.282 -2.967 -5.926) 6.633 4.918 ( 0.080 -3.711 -1.477) 3.995 4.972 ( 2.624 1.267 -3.350) 4.440 5.021 ( 2.784 -1.239 -3.399) 4.565 5.040 ( 2.781 7.925 2.138) 8.666 5.215 ( -5.619 0.459 2.716) 6.258 5.291 ( -1.057 -3.239 3.088) 4.598 5.380 ( 4.283 2.666 2.207) 5.507 5.446 ( -7.207 -2.762 -1.772) 7.919 5.558 ( -4.031 -1.217 -1.299) 4.407 5.592 ( -3.975 3.257 -5.065) 7.216 5.719 ( 0.021 0.407 -2.075) 2.115 5.796 ( -2.064 1.715 3.918) 4.749 5.835 ( -3.000 1.682 1.250) 3.659 5.997 ( -2.472 -1.320 -3.737) 4.671 6.051 ( -0.794 -1.293 6.279) 6.460 6.127 ( -0.918 -1.740 -1.144) 2.276 6.155 ( -2.427 -3.860 3.493) 5.744 6.209 ( -4.089 -1.821 5.538) 7.121 6.288 ( 1.153 4.138 -2.798) 5.126 6.392 ( 2.456 0.585 -1.170) 2.783 6.464 ( 1.629 1.525 0.098) 2.234 6.472 ( -0.184 -2.219 -3.438) 4.096 6.540 ( 0.519 2.408 5.413) 5.947 6.680 ( 2.818 1.326 1.155) 3.322 6.703 ( 2.336 1.400 -0.134) 2.726 6.790 ( -3.172 0.908 1.338) 3.561 6.882 ( 1.561 1.829 6.158) 6.611 6.925 ( -2.939 -1.542 -0.060) 3.320 7.036 ( -0.710 5.566 0.776) 5.665 7.117 ( 0.132 1.786 -6.188) 6.442 7.152 ( -1.405 0.561 0.059) 1.514 7.235 ( -0.473 -1.290 6.971) 7.105 7.342 ( 3.916 2.643 -0.129) 4.726 7.461 ( -0.519 -4.448 7.478) 8.716 7.619 ( 5.939 -0.900 3.787) 7.101 7.652 ( -3.264 -0.070 -4.496) 5.556 7.730 ( -6.702 0.759 2.865) 7.328 7.865 ( 4.503 4.478 -0.728) 6.392 7.971 ( -2.363 4.069 -1.927) 5.085 8.002 ( -2.968 0.734 0.698) 3.136 8.133 ( -2.802 -1.546 -3.130) 4.477 8.351 ( -6.932 -3.121 -0.141) 7.604 8.437 ( 0.082 0.881 1.343) 1.608 8.465 ( 1.891 1.293 -1.427) 2.699 8.541 ( -3.198 1.965 -4.940) 6.204 8.542 ( 0.373 1.566 -6.626) 6.818 8.641 ( -3.420 1.585 5.424) 6.605 8.742 ( -3.426 0.874 4.261) 5.536 8.930 ( -6.354 -0.824 4.240) 7.683 9.003 ( -3.053 0.765 2.342) 3.923 9.236 ( -2.829 -2.271 -3.178) 4.823 9.265 ( -8.561 -2.084 -4.367) 9.834 9.363 ( -7.645 -1.663 2.424) 8.191 9.546 ( -2.941 5.559 -9.819) 11.661 9.620 ( 1.639 -2.307 -2.898) 4.051 9.732 ( -10.728 -4.076 4.105) 12.189 9.889 ( 1.051 -1.993 -4.543) 5.071 10.101 ( -0.561 -2.734 -0.375) 2.816 10.411 ( -7.581 -3.350 9.148) 12.344 11.138 ( 8.574 -15.525 -1.664) 17.814 16.511 ( -2.280 1.121 0.670) 2.627 16.561 ( -1.220 1.827 -1.182) 2.494 16.826 ( 1.176 1.176 1.516) 2.250 16.865 ( 2.523 -0.231 -1.402) 2.895 17.452 ( -0.120 -2.441 -0.009) 2.444 17.500 ( 1.753 0.853 -1.349) 2.370 17.727 ( -0.613 -6.882 0.290) 6.916 17.897 ( 0.455 -6.232 -1.907) 6.533 18.021 ( 0.546 0.575 2.216) 2.354 18.129 ( 4.298 0.295 0.986) 4.420 18.172 ( 3.947 1.950 1.591) 4.681 18.187 ( 2.261 2.353 0.320) 3.279 18.390 ( 5.854 4.329 1.023) 7.352 18.603 ( 10.929 2.240 -2.887) 11.524 18.755 ( 8.425 2.542 1.311) 8.897 18.872 ( 9.783 1.596 -1.678) 10.053 21.371 ( -0.493 0.410 0.212) 0.675 21.441 ( -0.152 -0.410 -1.731) 1.785 21.483 ( -1.011 -1.337 -0.763) 1.841 21.507 ( -0.149 -0.358 -0.197) 0.435 21.816 ( -0.123 -0.098 -0.094) 0.183 21.823 ( 0.006 -0.036 0.040) 0.054 21.848 ( 0.514 0.123 1.443) 1.537 21.870 ( 0.567 -0.060 0.844) 1.018 26.773 ( -0.362 0.667 0.586) 0.959 26.803 ( 0.588 1.335 -0.490) 1.539 26.923 ( -0.294 -2.243 0.085) 2.264 26.944 ( 0.133 -1.210 -0.342) 1.264 27.246 ( -2.444 0.871 0.162) 2.600 27.264 ( -2.212 0.270 -0.022) 2.229 27.315 ( -1.825 0.745 -0.237) 1.985 27.341 ( -1.341 0.461 -0.342) 1.459 35.209 ( 10.084 9.187 -4.928) 14.504 35.339 ( 6.350 1.367 6.307) 9.054 35.599 ( -2.192 0.706 -3.667) 4.331 35.829 ( 0.418 -0.214 2.309) 2.356 36.271 ( 0.853 4.027 1.870) 4.521 36.427 ( -1.035 9.062 -4.068) 9.987 36.716 ( 1.388 -1.717 9.921) 10.164 37.433 ( 8.993 -7.086 2.289) 11.676 38.163 ( 4.125 0.134 4.026) 5.766 38.242 ( 3.773 0.380 -5.566) 6.735 38.517 ( 0.350 -5.369 2.726) 6.031 38.750 ( -1.671 -12.621 3.219) 13.131 39.094 ( -17.757 1.493 -4.794) 18.453 39.282 ( -27.617 -0.358 -4.259) 27.946 39.663 ( -8.028 14.626 -3.449) 17.036 40.811 ( -5.681 -13.446 -13.070) 19.593 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -7.594 9.641 24.732) 27.610 1.189 ( -21.036 12.457 16.672) 29.591 1.609 ( 5.476 6.102 -8.707) 11.960 1.721 ( -8.365 10.877 -8.954) 16.385 1.958 ( -23.864 10.778 9.235) 27.766 2.134 ( -17.537 10.559 7.067) 21.656 2.186 ( -6.000 -1.361 -9.627) 11.425 2.349 ( -6.878 -8.168 -1.607) 10.798 2.540 ( 5.004 0.579 -3.822) 6.323 2.584 ( 2.609 0.466 -0.190) 2.657 2.726 ( -5.409 -0.824 -2.134) 5.873 2.809 ( -7.788 -0.732 1.045) 7.892 2.932 ( -1.694 -0.937 -6.179) 6.475 3.045 ( 0.931 -3.960 -6.347) 7.538 3.094 ( -4.511 -4.271 -0.941) 6.283 3.134 ( -2.266 2.265 -0.750) 3.291 3.228 ( -0.682 -1.232 -1.573) 2.112 3.277 ( -1.067 -5.730 -2.413) 6.308 3.311 ( -6.624 -1.770 2.529) 7.308 3.511 ( -5.106 -1.196 -2.910) 5.997 3.611 ( 0.534 -5.368 -1.494) 5.598 3.686 ( -3.183 4.197 -0.106) 5.268 3.868 ( 0.933 1.464 -1.044) 2.026 3.890 ( 1.998 -0.630 3.280) 3.892 3.910 ( -4.098 0.941 2.585) 4.935 4.060 ( 2.438 -0.974 3.769) 4.594 4.079 ( 1.693 1.960 -4.187) 4.924 4.241 ( 3.933 2.656 -3.777) 6.066 4.361 ( -0.265 1.066 0.687) 1.296 4.396 ( 3.289 -1.297 2.291) 4.213 4.487 ( -7.064 3.854 0.242) 8.051 4.578 ( 5.266 -6.755 -2.183) 8.839 4.645 ( 2.459 -0.815 -5.730) 6.288 4.663 ( 5.456 6.662 -0.577) 8.631 4.766 ( 0.773 2.135 -4.866) 5.369 4.796 ( -0.125 1.613 -2.858) 3.284 4.903 ( -1.537 0.409 1.295) 2.051 4.953 ( -1.615 1.026 -2.659) 3.275 5.067 ( 3.504 -0.903 -1.655) 3.979 5.098 ( -3.690 -5.424 1.228) 6.674 5.181 ( 0.303 3.535 5.679) 6.696 5.233 ( -4.006 -4.166 -1.592) 5.995 5.379 ( 0.508 1.678 3.580) 3.986 5.429 ( -2.987 3.328 -3.172) 5.483 5.470 ( -1.556 2.114 -3.670) 4.512 5.521 ( -0.640 3.231 -2.658) 4.232 5.692 ( 1.479 0.615 -2.287) 2.792 5.733 ( -3.281 0.801 -2.060) 3.956 5.826 ( -3.640 3.644 4.075) 6.568 5.944 ( -2.837 1.484 -3.236) 4.552 6.103 ( 1.017 0.187 3.022) 3.194 6.110 ( -3.746 -3.729 1.107) 5.401 6.148 ( 2.939 -2.223 3.810) 5.300 6.187 ( -4.413 -4.129 3.528) 6.997 6.360 ( 3.273 1.066 6.239) 7.126 6.425 ( 0.170 -1.437 0.012) 1.447 6.486 ( 4.126 1.408 3.593) 5.649 6.516 ( 3.817 -2.031 -0.168) 4.327 6.638 ( 2.232 1.892 6.305) 6.951 6.683 ( 0.043 1.994 -0.121) 1.998 6.787 ( 5.329 3.174 -2.103) 6.549 6.801 ( 3.530 -3.102 -0.280) 4.707 6.859 ( -3.747 -1.445 0.604) 4.061 6.949 ( 1.666 -1.137 2.112) 2.921 7.024 ( -2.213 6.170 2.453) 6.999 7.103 ( 3.473 1.212 -3.048) 4.777 7.132 ( -1.104 4.394 1.695) 4.837 7.318 ( -3.826 -2.046 5.455) 6.970 7.399 ( 1.242 -0.227 5.293) 5.442 7.465 ( -9.848 -1.707 -3.342) 10.539 7.512 ( -1.869 -3.194 -0.680) 3.762 7.656 ( -3.472 -1.071 2.015) 4.155 7.798 ( 5.487 -1.574 -0.144) 5.710 7.819 ( 0.446 -0.778 -2.337) 2.503 7.945 ( 0.373 3.689 3.841) 5.339 7.995 ( 5.406 2.040 -1.174) 5.896 8.114 ( -1.613 4.003 1.990) 4.752 8.219 ( -6.253 -1.569 -1.936) 6.731 8.361 ( -5.744 -2.957 -4.767) 8.029 8.456 ( -0.901 1.175 -5.059) 5.271 8.510 ( 2.248 1.899 -0.598) 3.003 8.538 ( 3.352 6.229 0.661) 7.105 8.662 ( 0.093 1.450 3.119) 3.441 8.728 ( -3.308 -0.474 4.339) 5.477 8.868 ( -4.753 -1.248 1.840) 5.248 8.975 ( -4.723 -0.416 2.030) 5.158 9.110 ( -2.201 0.394 -2.439) 3.309 9.149 ( -7.687 2.627 0.899) 8.173 9.263 ( -5.611 -0.826 1.998) 6.013 9.368 ( -2.610 8.565 -12.075) 15.032 9.609 ( -9.439 -4.318 5.879) 11.929 9.628 ( 1.962 -2.685 -2.355) 4.075 9.870 ( 1.571 -1.755 -3.134) 3.921 10.052 ( -0.043 1.093 -7.524) 7.604 10.431 ( -6.544 -9.670 17.476) 21.018 11.116 ( -1.598 -18.824 -12.193) 22.485 16.488 ( -1.331 0.610 0.757) 1.648 16.531 ( -0.639 1.390 -1.729) 2.309 16.852 ( -0.124 0.352 1.764) 1.803 16.887 ( 1.766 -0.478 -1.412) 2.311 17.454 ( -0.094 -2.687 0.558) 2.746 17.503 ( 0.929 -0.120 -2.389) 2.566 17.744 ( 1.461 -6.285 1.113) 6.548 17.866 ( -0.776 -5.977 -2.803) 6.648 18.059 ( 0.467 1.728 3.006) 3.498 18.175 ( 1.475 2.258 -2.118) 3.430 18.215 ( 2.868 3.496 -1.006) 4.632 18.242 ( 0.675 -0.120 1.366) 1.528 18.545 ( 7.760 5.291 4.618) 10.466 18.734 ( 7.819 2.747 -3.622) 9.045 18.909 ( 6.792 1.960 1.975) 7.339 18.997 ( 6.469 1.890 -1.524) 6.909 21.369 ( -0.103 0.349 0.334) 0.494 21.397 ( -1.761 -0.292 -1.215) 2.159 21.475 ( 0.024 0.159 0.215) 0.269 21.501 ( -0.254 -0.124 -0.279) 0.397 21.815 ( 0.152 -0.223 -0.135) 0.301 21.823 ( -0.097 -0.208 -0.044) 0.234 21.875 ( 0.289 -0.749 1.603) 1.793 21.893 ( 1.265 -0.641 0.553) 1.522 26.775 ( -0.291 0.697 0.832) 1.124 26.804 ( 0.386 1.189 -0.880) 1.529 26.927 ( 0.208 -1.870 0.597) 1.974 26.945 ( 0.415 -1.032 -0.318) 1.157 27.212 ( -1.720 0.860 0.292) 1.945 27.229 ( -1.583 0.371 -0.427) 1.681 27.294 ( -0.691 0.916 0.557) 1.276 27.317 ( -0.815 0.625 -0.503) 1.144 35.328 ( 9.636 10.848 -5.332) 15.458 35.487 ( -0.689 1.700 2.905) 3.435 35.580 ( 5.588 -0.668 1.997) 5.971 35.841 ( -0.745 0.372 -0.353) 0.904 36.316 ( 1.194 4.499 2.304) 5.194 36.379 ( 1.375 8.131 -3.099) 8.809 36.982 ( 16.055 -4.275 13.981) 21.714 37.566 ( 1.732 -9.944 3.555) 10.701 38.248 ( 5.192 -0.136 -3.163) 6.081 38.333 ( 8.746 0.480 3.062) 9.279 38.517 ( -3.281 -5.927 -1.499) 6.938 38.657 ( -11.895 -10.815 -0.021) 16.077 38.771 ( -14.658 0.146 -3.249) 15.014 38.843 ( -19.559 -0.662 0.673) 19.582 39.514 ( -1.987 19.059 -4.325) 19.645 40.309 ( -27.239 -3.116 -21.424) 34.794 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.877 13.811 17.470) 23.032 1.556 ( 3.943 6.240 14.048) 15.870 1.630 ( 1.073 12.189 -4.432) 13.014 1.852 ( 4.053 2.812 -0.104) 4.934 1.991 ( 3.972 6.891 -7.108) 10.668 2.034 ( 0.418 4.550 -11.066) 11.972 2.205 ( 3.162 -9.401 6.896) 12.080 2.340 ( -2.225 3.632 4.783) 6.405 2.485 ( -7.371 -3.305 -9.354) 12.359 2.548 ( -0.750 1.895 -6.673) 6.977 2.707 ( 4.383 3.897 3.289) 6.725 2.741 ( 1.368 1.406 2.290) 3.015 2.815 ( -4.470 -4.228 -5.373) 8.169 2.861 ( -2.735 1.262 -7.299) 7.896 2.994 ( 1.090 -3.067 3.871) 5.058 3.055 ( -1.439 -4.243 -0.939) 4.578 3.156 ( 2.049 -1.924 2.550) 3.795 3.200 ( -4.550 -0.772 -2.404) 5.204 3.284 ( 3.437 -1.042 2.932) 4.636 3.379 ( -3.059 2.752 -6.361) 7.576 3.596 ( 2.161 0.602 1.608) 2.760 3.624 ( -2.151 1.888 -0.845) 2.984 3.831 ( -0.422 -4.524 2.486) 5.179 3.886 ( 0.790 -1.998 -1.953) 2.903 4.020 ( 1.389 1.899 4.576) 5.145 4.101 ( 2.195 -0.886 -2.615) 3.528 4.164 ( -0.202 3.259 2.710) 4.243 4.253 ( 2.266 -1.479 -5.247) 5.904 4.412 ( -4.119 0.471 1.114) 4.293 4.426 ( -0.510 -1.815 0.721) 2.018 4.462 ( 1.094 1.717 0.813) 2.192 4.554 ( 3.138 5.740 -7.331) 9.825 4.641 ( -0.418 -6.620 2.546) 7.105 4.679 ( -3.988 -3.789 0.356) 5.512 4.751 ( 1.773 -0.039 -1.720) 2.470 4.766 ( -0.184 -1.428 -2.197) 2.627 4.907 ( -1.058 3.052 0.562) 3.278 4.957 ( 2.712 5.259 -4.451) 7.404 5.048 ( 1.066 3.554 2.208) 4.318 5.070 ( 1.805 -0.810 -0.464) 2.032 5.220 ( 1.897 0.489 5.023) 5.391 5.329 ( -0.963 3.913 -2.007) 4.502 5.373 ( -0.268 -0.567 -0.096) 0.634 5.420 ( -2.633 1.037 -2.205) 3.587 5.525 ( -1.802 5.182 0.611) 5.520 5.556 ( 2.488 3.842 -1.805) 4.921 5.710 ( -0.694 -2.707 1.689) 3.265 5.746 ( 1.604 -1.073 -1.658) 2.544 5.855 ( -1.100 5.636 1.108) 5.848 5.879 ( -3.935 3.091 -1.500) 5.224 6.003 ( -3.165 -2.882 5.552) 7.010 6.087 ( 0.920 -2.513 -2.395) 3.591 6.206 ( 2.148 0.413 8.913) 9.178 6.250 ( 1.955 0.062 4.843) 5.223 6.409 ( 0.824 -1.037 -0.918) 1.611 6.442 ( -0.754 1.042 -4.215) 4.407 6.520 ( 1.688 -2.572 1.764) 3.547 6.560 ( 2.296 -2.977 -0.801) 3.844 6.617 ( -4.408 -2.631 4.466) 6.805 6.718 ( 1.683 -6.023 -2.127) 6.605 6.782 ( 2.105 2.197 0.902) 3.174 6.858 ( 1.200 2.345 -3.757) 4.588 6.881 ( 4.389 1.850 3.816) 6.103 6.953 ( -0.986 -2.333 -2.811) 3.784 7.100 ( -1.287 3.622 1.106) 4.000 7.150 ( -1.206 0.524 -2.393) 2.730 7.174 ( -6.479 -0.206 1.434) 6.639 7.207 ( -1.553 -1.649 -1.721) 2.845 7.295 ( 4.295 2.309 4.782) 6.830 7.381 ( -3.103 1.118 3.622) 4.899 7.512 ( -0.192 0.576 -0.702) 0.928 7.710 ( 2.208 -2.913 -5.779) 6.837 7.781 ( 2.471 -1.857 -2.005) 3.684 7.806 ( 1.535 -0.729 1.007) 1.975 8.037 ( -0.219 -0.026 3.352) 3.359 8.088 ( 3.361 -1.040 -1.929) 4.012 8.109 ( -0.839 -1.895 3.674) 4.218 8.175 ( 0.210 -0.761 -1.949) 2.103 8.223 ( -3.168 0.917 0.455) 3.329 8.254 ( -3.373 -3.193 -2.271) 5.170 8.605 ( 3.579 -0.244 -0.302) 3.600 8.630 ( -2.268 -0.028 -2.089) 3.083 8.786 ( -7.636 8.552 4.403) 12.281 8.830 ( 7.573 5.503 -0.295) 9.367 8.855 ( 3.998 -0.320 -0.791) 4.088 8.879 ( -1.636 3.874 -1.534) 4.476 9.111 ( -4.182 0.753 5.533) 6.976 9.201 ( 3.773 -3.161 -1.072) 5.037 9.236 ( -4.070 6.182 7.308) 10.402 9.437 ( 3.794 7.844 -9.526) 12.910 9.445 ( -5.322 -4.369 6.366) 9.378 9.603 ( 4.183 -1.707 -3.128) 5.495 9.834 ( -0.220 -1.652 2.777) 3.239 9.991 ( 1.154 -0.959 -6.425) 6.598 10.304 ( -2.466 -9.676 12.506) 16.003 10.601 ( 0.510 -16.509 -13.843) 21.551 16.496 ( -0.139 0.713 0.515) 0.891 16.514 ( 0.045 -0.049 -1.247) 1.248 16.867 ( -0.416 0.421 0.984) 1.148 16.886 ( 0.652 -0.475 -0.869) 1.186 17.438 ( 0.250 0.590 1.418) 1.557 17.476 ( -0.467 0.687 -2.520) 2.653 17.661 ( 1.108 -5.621 0.799) 5.785 17.702 ( -0.789 -5.905 -3.214) 6.769 18.132 ( -0.237 1.227 3.511) 3.726 18.173 ( -0.935 -0.799 0.296) 1.265 18.261 ( -0.650 1.616 -0.107) 1.746 18.284 ( 0.965 0.875 -1.586) 2.053 18.777 ( 0.185 5.370 3.316) 6.314 18.836 ( 0.392 2.993 -2.361) 3.833 19.033 ( 0.149 1.874 1.495) 2.402 19.065 ( -0.398 0.901 -1.582) 1.864 21.378 ( -0.107 0.264 0.110) 0.305 21.381 ( 0.373 0.088 -0.191) 0.428 21.485 ( 0.134 0.185 0.259) 0.346 21.491 ( -0.240 -0.080 -0.319) 0.407 21.813 ( 0.029 -0.153 0.016) 0.157 21.815 ( 0.011 -0.208 -0.170) 0.269 21.878 ( -0.192 -0.427 1.013) 1.116 21.888 ( 0.181 -0.925 0.013) 0.942 26.801 ( -0.291 1.455 1.049) 1.817 26.823 ( 0.256 1.297 -1.090) 1.714 26.900 ( -0.288 -1.837 1.079) 2.150 26.918 ( 0.248 -1.780 -0.704) 1.930 27.215 ( -0.125 0.749 0.272) 0.806 27.220 ( -0.010 0.501 -0.187) 0.535 27.310 ( -0.102 0.732 0.367) 0.825 27.318 ( 0.185 0.368 -0.363) 0.549 35.503 ( -6.355 5.936 2.667) 9.096 35.581 ( 6.731 6.793 -5.223) 10.897 35.687 ( 0.943 -2.847 4.385) 5.313 35.771 ( 0.004 -2.468 -3.943) 4.651 36.474 ( -1.276 8.786 3.920) 9.705 36.545 ( 0.792 9.032 -2.954) 9.536 37.153 ( 6.625 -13.755 7.793) 17.141 37.251 ( -6.107 -13.498 -2.558) 15.035 38.292 ( -0.446 -0.384 0.554) 0.808 38.302 ( -6.242 -1.036 -0.180) 6.330 38.522 ( 8.091 1.011 1.926) 8.378 38.559 ( -4.594 -0.793 -1.533) 4.907 38.582 ( 10.135 0.555 0.990) 10.198 38.621 ( -5.605 -1.126 -2.563) 6.265 39.808 ( 3.508 8.953 -0.193) 9.617 39.889 ( -6.752 5.557 -8.390) 12.118 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 9.551 12.516 14.114) 21.144 1.695 ( 13.568 7.129 -17.272) 23.092 1.787 ( 8.880 12.560 -17.085) 22.989 1.848 ( 0.584 14.472 14.380) 20.410 1.955 ( 5.993 -2.543 -4.346) 7.828 2.107 ( 14.908 1.303 -3.403) 15.347 2.237 ( -0.989 -8.383 -6.472) 10.636 2.374 ( 2.764 -8.611 8.454) 12.380 2.462 ( -1.624 3.300 5.096) 6.285 2.521 ( -0.375 -4.258 4.548) 6.242 2.706 ( -0.107 -4.019 -3.822) 5.547 2.755 ( 3.435 0.326 -0.082) 3.451 2.823 ( 6.951 6.695 4.274) 10.555 2.937 ( 9.344 -1.484 2.415) 9.765 3.038 ( 1.666 -0.465 -5.180) 5.462 3.117 ( 1.519 -2.774 4.217) 5.271 3.124 ( 6.944 -1.505 4.048) 8.178 3.239 ( -2.689 -1.089 -2.277) 3.688 3.308 ( 4.150 1.929 1.028) 4.690 3.385 ( 5.416 0.409 3.289) 6.350 3.553 ( -1.753 1.295 -0.641) 2.272 3.684 ( 3.073 0.541 -0.096) 3.122 3.854 ( -1.308 -4.401 3.985) 6.080 3.899 ( 5.070 -1.444 -3.904) 6.560 4.048 ( -1.112 1.827 -2.552) 3.330 4.090 ( 2.396 0.120 -3.675) 4.388 4.156 ( -2.862 3.937 -0.640) 4.909 4.237 ( 1.715 -5.237 -1.759) 5.784 4.312 ( -7.588 1.320 3.145) 8.319 4.415 ( -3.053 0.810 1.915) 3.694 4.455 ( -2.390 3.443 -2.746) 5.011 4.564 ( 4.775 4.259 0.531) 6.420 4.640 ( -1.689 0.572 2.365) 2.962 4.723 ( 3.086 -1.976 0.140) 3.667 4.733 ( 0.147 -9.383 -0.324) 9.390 4.770 ( -0.064 0.945 1.928) 2.148 4.869 ( 2.189 4.129 -2.492) 5.296 5.008 ( 1.751 5.627 -0.651) 5.929 5.031 ( -0.166 0.964 -3.362) 3.502 5.121 ( 4.392 -0.131 -3.078) 5.365 5.249 ( -0.161 2.055 -2.979) 3.623 5.340 ( 3.546 0.228 3.501) 4.988 5.373 ( 0.358 2.502 -0.874) 2.674 5.419 ( -0.222 -0.442 3.183) 3.221 5.512 ( -0.530 5.852 1.036) 5.966 5.554 ( 0.174 4.065 -1.209) 4.245 5.678 ( -1.924 -1.759 0.827) 2.734 5.754 ( -0.821 5.552 0.252) 5.619 5.857 ( 4.101 -5.856 2.843) 7.693 5.961 ( 3.804 7.249 3.137) 8.767 5.990 ( -4.547 -5.268 4.216) 8.136 6.077 ( 0.942 0.354 -2.475) 2.672 6.238 ( -0.403 1.033 -2.363) 2.610 6.266 ( -1.570 -1.599 -4.771) 5.271 6.366 ( -2.158 2.043 1.170) 3.194 6.411 ( -1.184 -3.587 2.129) 4.336 6.467 ( -2.794 -1.943 -4.399) 5.562 6.599 ( -2.979 -2.950 0.035) 4.193 6.617 ( -1.572 -3.326 0.780) 3.761 6.722 ( 3.650 -2.880 -4.203) 6.268 6.823 ( 0.295 2.891 -2.964) 4.151 6.829 ( 0.769 1.311 -1.850) 2.394 6.860 ( 0.402 1.240 -1.238) 1.797 6.932 ( -0.159 -1.124 0.502) 1.241 7.065 ( -4.441 1.416 2.803) 5.439 7.136 ( 2.147 1.435 1.500) 2.986 7.236 ( 5.739 0.860 8.529) 10.316 7.295 ( -1.215 4.215 -5.878) 7.334 7.317 ( 6.096 -3.511 3.733) 7.963 7.453 ( 5.249 1.750 3.542) 6.570 7.548 ( -3.610 -3.736 6.190) 8.081 7.577 ( -1.727 -5.153 -11.366) 12.599 7.763 ( -2.855 1.470 -2.291) 3.945 7.818 ( 2.091 -1.535 -1.661) 3.080 8.043 ( -0.114 2.647 -0.199) 2.657 8.097 ( 2.137 1.181 -4.852) 5.431 8.145 ( -0.970 0.695 2.037) 2.361 8.179 ( 3.580 -2.295 1.637) 4.557 8.246 ( 4.217 -2.550 0.495) 4.953 8.293 ( 2.760 -2.108 5.203) 6.255 8.552 ( -3.025 2.444 -1.360) 4.120 8.648 ( 0.349 0.556 0.530) 0.844 8.707 ( -3.869 4.821 1.196) 6.296 8.826 ( -0.515 1.404 -1.786) 2.329 8.940 ( 6.254 3.027 0.189) 6.951 8.969 ( 7.002 3.398 -2.017) 8.040 9.103 ( -1.832 -1.582 2.663) 3.599 9.257 ( 4.448 -2.839 -3.591) 6.383 9.303 ( 2.992 6.005 8.248) 10.633 9.435 ( 6.328 3.776 -7.999) 10.877 9.472 ( 0.310 0.412 5.517) 5.541 9.649 ( 6.095 -2.648 -4.505) 8.029 9.882 ( -0.522 0.331 5.748) 5.781 9.934 ( 2.886 1.135 -7.209) 7.848 10.450 ( 1.320 -13.731 8.192) 16.043 10.515 ( 4.946 -15.313 -4.514) 16.713 16.509 ( 1.228 0.777 0.217) 1.470 16.525 ( 1.937 0.139 -0.037) 1.943 16.863 ( -1.203 0.425 0.691) 1.451 16.880 ( -0.122 -0.443 -1.069) 1.163 17.446 ( -0.443 0.747 -1.286) 1.552 17.464 ( 0.450 1.122 1.710) 2.094 17.654 ( -1.195 -5.853 -2.284) 6.396 17.689 ( 0.369 -6.501 1.976) 6.805 18.142 ( -2.060 0.495 -1.196) 2.433 18.149 ( -1.919 0.350 2.643) 3.285 18.236 ( -2.691 1.686 1.028) 3.338 18.264 ( -1.496 0.018 -1.182) 1.907 18.740 ( -7.291 4.616 -1.358) 8.736 18.744 ( -7.033 4.531 0.215) 8.369 18.979 ( -7.228 1.421 -1.001) 7.434 18.995 ( -6.685 0.982 1.456) 6.912 21.380 ( 0.354 0.249 -0.062) 0.437 21.388 ( 0.668 -0.000 -0.300) 0.733 21.484 ( -0.265 0.132 -0.208) 0.362 21.491 ( 0.048 -0.214 0.359) 0.421 21.812 ( 0.020 -0.016 -0.018) 0.031 21.818 ( 0.305 -0.259 -0.037) 0.402 21.879 ( -0.558 -0.412 0.333) 0.770 21.885 ( -0.239 -0.711 -0.391) 0.846 26.807 ( -0.293 1.405 0.770) 1.628 26.817 ( 0.310 1.395 -0.706) 1.594 26.900 ( -0.702 -1.764 0.527) 1.970 26.912 ( -0.110 -1.865 -0.529) 1.941 27.230 ( 1.478 0.660 0.232) 1.635 27.233 ( 1.625 0.585 -0.053) 1.728 27.317 ( 0.581 0.682 0.074) 0.899 27.324 ( 0.907 0.459 -0.192) 1.034 35.401 ( -9.244 6.879 3.148) 11.945 35.601 ( -7.988 -1.873 -0.438) 8.216 35.621 ( 2.996 4.880 -4.206) 7.105 35.809 ( 3.513 -2.733 -0.760) 4.516 36.466 ( -3.513 8.994 2.047) 9.871 36.527 ( 0.332 9.553 -1.085) 9.620 37.043 ( -9.428 -7.335 -4.477) 12.757 37.282 ( -2.345 -16.079 4.233) 16.791 38.197 ( -5.685 1.692 2.662) 6.502 38.335 ( -0.127 -4.912 3.290) 5.914 38.412 ( -3.828 0.340 -2.824) 4.769 38.520 ( -0.291 -5.706 -1.781) 5.984 38.821 ( 20.250 2.182 -2.272) 20.494 38.884 ( 22.387 -0.020 -2.536) 22.530 39.777 ( 1.665 12.578 -0.065) 12.688 40.019 ( 13.587 0.125 6.329) 14.990 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 3.837 8.186 -17.150) 19.387 1.657 ( -3.444 9.201 -4.760) 10.917 1.818 ( 5.433 9.265 -2.681) 11.070 1.913 ( 4.212 6.256 2.005) 7.804 2.178 ( 7.440 -0.370 10.063) 12.520 2.269 ( 5.045 -4.336 1.226) 6.764 2.363 ( 1.894 -2.551 -0.459) 3.211 2.473 ( 11.985 -2.182 2.898) 12.522 2.527 ( 6.242 0.844 2.436) 6.754 2.537 ( -1.430 -2.561 5.359) 6.109 2.749 ( 4.314 -2.192 1.720) 5.136 2.835 ( 2.759 -5.065 1.481) 5.954 2.919 ( -3.355 0.519 -4.551) 5.677 3.060 ( 2.686 -3.651 -0.743) 4.593 3.109 ( 13.635 4.510 2.747) 14.622 3.224 ( 4.438 -1.542 2.335) 5.246 3.258 ( 8.315 0.338 1.510) 8.458 3.321 ( 6.449 2.990 2.639) 7.582 3.418 ( 2.575 -2.638 7.220) 8.107 3.538 ( 10.116 0.060 0.901) 10.156 3.567 ( 3.798 1.515 1.922) 4.518 3.698 ( 0.232 -0.498 -1.360) 1.467 3.856 ( -2.772 -4.338 4.050) 6.550 3.948 ( 0.455 3.815 -3.366) 5.108 3.994 ( 5.436 -2.641 -6.981) 9.234 4.064 ( 0.914 -1.099 -4.327) 4.557 4.127 ( 0.462 3.779 -0.410) 3.830 4.261 ( -4.636 4.584 6.582) 9.265 4.273 ( 4.176 -1.187 -0.849) 4.424 4.383 ( -2.220 1.998 -1.516) 3.349 4.404 ( 0.230 1.169 1.576) 1.975 4.625 ( -0.906 1.178 1.159) 1.885 4.655 ( -0.332 2.622 3.265) 4.200 4.742 ( 1.973 -0.004 3.999) 4.459 4.781 ( 1.197 -9.411 -1.375) 9.586 4.783 ( 0.016 3.693 1.155) 3.870 4.894 ( 3.888 2.474 -4.610) 6.518 4.970 ( 0.179 2.980 -4.418) 5.332 5.007 ( -1.318 4.693 -1.730) 5.172 5.178 ( 7.349 -1.184 -3.127) 8.074 5.253 ( 2.522 -0.516 -1.179) 2.832 5.372 ( 0.218 7.542 -0.521) 7.563 5.387 ( 2.349 -1.892 -0.138) 3.019 5.475 ( 2.032 0.758 3.389) 4.024 5.515 ( -1.512 4.187 -0.432) 4.472 5.569 ( -0.029 2.727 3.598) 4.515 5.668 ( -0.668 -0.190 1.556) 1.704 5.775 ( -2.233 -2.962 -0.571) 3.753 5.881 ( 0.686 -2.000 2.829) 3.532 6.004 ( 1.319 -2.272 1.552) 3.051 6.032 ( 0.881 4.837 4.476) 6.649 6.077 ( 1.641 0.928 -2.335) 3.001 6.166 ( 0.114 1.313 -3.530) 3.768 6.271 ( 5.145 -3.611 -3.485) 7.187 6.352 ( -2.408 1.915 -1.419) 3.388 6.384 ( -0.535 -3.474 -1.314) 3.753 6.396 ( -2.333 -4.051 0.441) 4.696 6.492 ( -1.191 2.506 -5.415) 6.084 6.590 ( -4.457 -3.772 3.651) 6.886 6.713 ( -0.358 -3.847 -5.805) 6.973 6.767 ( 0.011 2.700 -4.223) 5.013 6.813 ( 0.573 1.467 -1.302) 2.043 6.927 ( 5.676 2.290 0.517) 6.142 6.992 ( 4.766 -0.347 0.265) 4.786 7.056 ( -3.050 3.178 3.812) 5.825 7.140 ( -0.119 -0.281 -2.373) 2.393 7.226 ( -1.402 0.874 -4.248) 4.558 7.381 ( -1.451 2.940 4.291) 5.400 7.401 ( -0.561 -3.145 -3.944) 5.075 7.445 ( -5.769 -1.029 0.095) 5.861 7.491 ( 4.480 -2.561 0.173) 5.163 7.591 ( 3.251 -0.871 4.620) 5.716 7.731 ( 0.968 1.461 0.968) 2.002 7.887 ( 7.358 -3.075 -0.677) 8.004 8.028 ( 0.873 5.703 -3.756) 6.884 8.099 ( 2.101 5.734 -1.467) 6.280 8.163 ( 0.269 0.063 1.147) 1.180 8.271 ( 3.813 -4.402 2.614) 6.383 8.330 ( 3.957 -1.978 1.735) 4.752 8.398 ( 3.356 -3.397 4.737) 6.727 8.526 ( -0.384 5.644 1.440) 5.837 8.603 ( -3.149 6.265 -1.161) 7.107 8.711 ( 1.932 -1.594 -0.259) 2.518 8.812 ( 1.400 -0.591 -2.053) 2.554 9.035 ( 3.709 3.528 -1.669) 5.385 9.040 ( 4.229 0.366 -0.516) 4.276 9.116 ( 1.985 -2.711 0.362) 3.380 9.290 ( 2.324 -5.291 -0.717) 5.824 9.463 ( 4.346 3.314 6.264) 8.314 9.468 ( 6.558 3.381 -4.089) 8.435 9.542 ( 4.617 2.658 -0.402) 5.343 9.705 ( 5.129 -3.506 -3.313) 7.041 9.891 ( 4.393 -0.020 -5.779) 7.259 9.978 ( 0.923 -2.270 4.255) 4.910 10.467 ( 5.018 -7.342 -6.263) 10.877 10.663 ( 0.087 -15.428 11.541) 19.267 16.543 ( 2.641 1.193 -0.085) 2.899 16.567 ( 2.533 0.473 0.491) 2.623 16.843 ( -1.982 0.481 0.723) 2.163 16.860 ( -0.997 -0.285 -0.987) 1.431 17.430 ( -0.166 0.589 -0.609) 0.863 17.490 ( -0.145 2.221 2.272) 3.181 17.614 ( -0.719 -6.394 -1.831) 6.690 17.713 ( -0.686 -7.077 2.699) 7.606 18.083 ( -2.869 0.502 -1.808) 3.428 18.120 ( -3.863 -0.561 1.151) 4.069 18.192 ( -4.096 0.985 1.050) 4.341 18.209 ( -3.744 -0.700 -0.738) 3.879 18.564 ( -7.532 5.651 -3.989) 10.226 18.616 ( -9.410 3.584 1.552) 10.188 18.824 ( -9.105 2.199 -0.598) 9.385 18.868 ( -9.820 0.961 1.940) 10.055 21.387 ( 0.687 0.406 -0.400) 0.893 21.403 ( 0.979 -0.333 0.604) 1.197 21.477 ( -0.364 0.077 -0.157) 0.404 21.493 ( -0.276 -0.593 0.298) 0.719 21.815 ( 0.279 0.164 0.061) 0.329 21.822 ( 0.331 -0.177 -0.069) 0.381 21.867 ( -0.604 -0.128 -0.466) 0.773 21.874 ( -0.505 -0.475 -0.382) 0.792 26.805 ( 0.010 1.423 -0.384) 1.474 26.821 ( 0.104 1.589 0.496) 1.667 26.890 ( -0.363 -2.004 -0.487) 2.094 26.906 ( -0.323 -1.920 0.152) 1.953 27.263 ( 2.152 0.601 -0.039) 2.234 27.268 ( 2.195 0.420 0.146) 2.240 27.331 ( 1.133 0.822 -0.080) 1.402 27.345 ( 1.402 0.345 0.198) 1.458 35.272 ( -9.543 6.646 3.089) 12.032 35.437 ( -8.161 -2.142 -2.145) 8.706 35.635 ( 2.018 5.509 -2.008) 6.201 35.836 ( 1.828 -3.383 -2.150) 4.406 36.416 ( -3.010 7.899 -0.175) 8.455 36.548 ( 1.734 9.142 1.903) 9.498 36.850 ( -6.725 -2.274 -6.080) 9.347 37.220 ( -8.442 -12.782 3.144) 15.638 38.166 ( -2.157 2.832 3.304) 4.857 38.258 ( -4.085 0.598 -2.719) 4.943 38.423 ( 0.673 -6.463 -0.642) 6.530 38.527 ( 1.694 -10.680 0.445) 10.823 39.136 ( 19.961 4.065 -2.091) 20.477 39.261 ( 24.917 -1.419 -2.335) 25.066 39.888 ( 7.648 14.834 3.251) 17.003 40.342 ( 11.115 -8.722 10.499) 17.603 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 1.390 5.124 -4.115) 6.717 1.589 ( 3.724 6.238 -0.866) 7.316 1.870 ( 5.883 4.011 -4.837) 8.608 2.022 ( 2.310 4.713 7.801) 9.402 2.279 ( -2.672 1.636 3.524) 4.715 2.364 ( 1.093 -0.380 3.329) 3.524 2.400 ( 2.803 -1.820 -0.900) 3.461 2.507 ( -1.382 7.896 0.740) 8.050 2.585 ( 5.031 -8.218 2.957) 10.079 2.694 ( -4.510 4.674 -8.673) 10.836 2.786 ( -3.042 -1.799 2.308) 4.221 2.843 ( 8.506 -0.419 3.477) 9.199 2.964 ( 7.154 -4.192 2.903) 8.785 3.124 ( 4.760 -9.446 -0.363) 10.584 3.233 ( 0.595 -1.080 2.655) 2.927 3.265 ( -1.016 0.542 -1.010) 1.532 3.344 ( -2.680 0.391 2.286) 3.545 3.417 ( -4.988 0.918 3.626) 6.235 3.509 ( 7.864 -1.367 1.166) 8.066 3.649 ( 3.272 -0.838 -2.389) 4.137 3.700 ( 3.087 -0.313 5.332) 6.170 3.810 ( 12.787 4.027 1.171) 13.457 3.873 ( 0.112 -1.695 0.822) 1.887 3.888 ( -1.551 2.689 3.374) 4.585 4.025 ( 6.226 -0.079 -7.393) 9.666 4.102 ( 5.967 1.644 -2.623) 6.722 4.147 ( 3.353 -0.514 -0.819) 3.490 4.262 ( -1.217 2.986 2.164) 3.883 4.335 ( 3.732 -2.359 -2.571) 5.109 4.337 ( -2.689 0.152 1.523) 3.095 4.466 ( 2.782 3.840 1.962) 5.132 4.627 ( -1.807 -1.305 1.485) 2.678 4.672 ( 1.765 -0.480 0.511) 1.899 4.707 ( -4.637 -2.586 -0.038) 5.309 4.794 ( 0.665 0.754 -3.089) 3.249 4.847 ( 2.681 1.538 4.665) 5.596 4.918 ( 2.710 0.791 -0.021) 2.823 4.936 ( -3.315 -0.735 -1.930) 3.905 4.984 ( 5.007 9.610 -2.794) 11.190 5.242 ( 3.604 0.653 -4.652) 5.921 5.286 ( 2.583 -1.533 0.234) 3.013 5.349 ( -4.289 6.908 -1.123) 8.208 5.425 ( 1.689 6.022 -4.737) 7.846 5.516 ( 6.670 0.250 5.353) 8.556 5.570 ( 4.046 -1.573 -0.751) 4.406 5.608 ( 1.801 -0.733 4.840) 5.216 5.686 ( -1.529 -3.321 2.211) 4.273 5.711 ( -2.048 -2.598 2.150) 3.945 5.919 ( 0.009 1.360 -0.895) 1.628 6.011 ( -2.911 -0.906 1.800) 3.540 6.100 ( 2.756 3.744 2.002) 5.062 6.144 ( 5.812 -1.534 3.227) 6.823 6.170 ( 2.025 0.804 -2.906) 3.632 6.277 ( -1.980 -0.540 -3.634) 4.174 6.310 ( 3.121 -3.082 -0.097) 4.387 6.355 ( -1.011 -0.343 -1.100) 1.533 6.394 ( 0.588 1.081 0.096) 1.234 6.479 ( 1.719 -0.517 -0.511) 1.866 6.553 ( -2.345 -4.172 0.757) 4.845 6.644 ( -0.080 -2.973 -4.368) 5.284 6.734 ( 0.138 2.850 -2.823) 4.014 6.820 ( 0.258 -0.377 -0.496) 0.674 6.999 ( 2.039 3.362 -2.435) 4.625 7.005 ( -1.406 0.963 -2.678) 3.174 7.050 ( 0.479 2.251 1.925) 3.000 7.119 ( 1.239 -2.461 -4.153) 4.984 7.150 ( -3.438 0.681 -1.879) 3.977 7.287 ( -1.462 1.496 -5.159) 5.567 7.355 ( -3.051 0.560 0.359) 3.122 7.412 ( 1.053 -6.214 0.201) 6.306 7.617 ( 2.607 3.035 8.141) 9.071 7.663 ( 1.096 8.428 1.508) 8.632 7.821 ( 3.617 -2.577 4.340) 6.210 7.958 ( 2.954 2.496 -4.608) 6.016 8.047 ( 4.684 3.838 -1.285) 6.190 8.107 ( -0.055 3.275 1.419) 3.569 8.180 ( 1.497 1.425 -1.297) 2.440 8.335 ( -0.074 -3.850 3.461) 5.178 8.411 ( 3.714 -1.032 0.847) 3.947 8.477 ( 1.110 -2.436 0.593) 2.742 8.556 ( 1.037 4.885 -0.647) 5.036 8.568 ( 0.263 3.953 3.398) 5.219 8.738 ( 2.494 -1.422 -1.726) 3.350 8.826 ( 2.707 -2.412 -2.312) 4.300 9.046 ( 1.319 -0.552 -4.436) 4.661 9.071 ( 1.420 2.661 0.224) 3.024 9.184 ( 3.831 -4.610 1.212) 6.115 9.310 ( -0.654 -7.683 1.243) 7.810 9.524 ( 3.905 1.768 0.289) 4.296 9.609 ( 2.798 0.846 4.904) 5.709 9.624 ( 8.820 4.483 -3.497) 10.493 9.743 ( 1.842 -2.951 -0.107) 3.480 9.940 ( 8.014 -1.854 -5.134) 9.697 10.023 ( 1.927 -4.537 0.082) 4.930 10.483 ( 1.210 -1.928 -1.693) 2.837 10.695 ( -6.997 -11.619 5.223) 14.534 16.592 ( 3.264 1.634 -0.302) 3.663 16.617 ( 2.796 0.903 0.360) 2.960 16.813 ( -2.647 0.579 0.926) 2.863 16.824 ( -2.010 0.162 -0.871) 2.196 17.428 ( 0.169 0.681 0.203) 0.731 17.495 ( -1.486 2.836 0.959) 3.342 17.605 ( 1.415 -7.459 -0.393) 7.602 17.717 ( -2.103 -7.647 2.235) 8.240 18.015 ( -2.722 0.136 -1.578) 3.149 18.052 ( -4.655 -0.315 -0.047) 4.666 18.121 ( -4.743 -0.275 -0.165) 4.754 18.130 ( -3.833 -1.987 -1.022) 4.436 18.443 ( -2.897 5.623 -1.819) 6.582 18.491 ( -6.430 3.632 0.952) 7.446 18.689 ( -6.138 2.642 0.308) 6.689 18.732 ( -8.183 1.342 1.797) 8.485 21.397 ( 0.943 0.780 -0.205) 1.241 21.427 ( 0.510 -0.245 0.982) 1.133 21.469 ( -0.247 -0.611 -0.111) 0.668 21.489 ( -0.458 -1.011 0.266) 1.142 21.821 ( 0.390 0.246 0.097) 0.471 21.827 ( 0.347 0.006 -0.150) 0.377 21.853 ( -0.411 0.144 -0.561) 0.710 21.861 ( -0.558 -0.284 -0.430) 0.759 26.803 ( 0.203 1.518 -0.336) 1.568 26.824 ( -0.288 1.856 0.110) 1.882 26.884 ( 0.300 -2.478 -0.241) 2.507 26.904 ( -0.200 -2.148 0.269) 2.174 27.299 ( 1.945 0.534 0.177) 2.025 27.305 ( 1.894 0.249 0.202) 1.921 27.352 ( 1.040 0.759 0.219) 1.306 27.369 ( 1.131 0.175 0.009) 1.145 35.165 ( -6.714 6.135 3.117) 9.614 35.301 ( -4.872 -0.880 -2.505) 5.549 35.650 ( 1.214 4.407 0.026) 4.571 35.831 ( 1.415 -3.347 -3.828) 5.278 36.378 ( -1.206 7.687 0.319) 7.787 36.613 ( 0.722 10.896 2.512) 11.205 36.695 ( -2.391 -5.188 -5.022) 7.606 37.093 ( -9.068 -10.182 1.202) 13.688 38.173 ( -0.261 2.723 0.145) 2.739 38.194 ( -1.563 3.446 0.194) 3.789 38.400 ( -0.510 -7.601 -1.785) 7.824 38.539 ( -0.627 -11.728 -1.102) 11.796 39.452 ( 17.218 6.201 2.179) 18.430 39.653 ( 21.419 -3.123 1.739) 21.716 40.040 ( 6.096 13.169 1.413) 14.580 40.537 ( 0.537 -11.848 5.821) 13.211 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 4.081 2.836 3.570) 6.119 1.725 ( 3.725 -2.429 4.547) 6.360 1.900 ( 6.016 7.233 -3.686) 10.104 2.155 ( 0.851 4.199 5.957) 7.337 2.247 ( -5.023 4.578 0.138) 6.798 2.331 ( -0.810 -0.369 2.354) 2.517 2.430 ( 2.208 2.419 -2.823) 4.324 2.496 ( -5.463 2.107 -2.466) 6.353 2.516 ( 1.516 8.942 -1.985) 9.285 2.659 ( -6.940 0.031 -2.540) 7.390 2.776 ( 7.968 -5.464 1.965) 9.859 2.956 ( 0.093 3.218 1.902) 3.739 3.073 ( -1.347 -7.719 -1.221) 7.930 3.164 ( 1.344 -3.042 -0.055) 3.326 3.219 ( -0.560 1.698 2.181) 2.820 3.305 ( 1.450 -2.085 1.475) 2.936 3.330 ( -2.947 -3.126 2.533) 4.987 3.349 ( 1.667 -4.916 4.487) 6.861 3.574 ( 0.318 -2.207 -1.846) 2.895 3.625 ( -2.158 -2.715 -4.277) 5.506 3.764 ( -1.659 1.635 4.779) 5.316 3.876 ( 2.596 1.429 0.929) 3.106 3.930 ( -1.039 -0.324 6.031) 6.128 4.015 ( 5.915 4.769 -3.460) 8.349 4.069 ( 6.580 0.008 -1.701) 6.796 4.148 ( -0.073 6.093 -0.441) 6.110 4.186 ( 1.892 -0.382 -0.728) 2.062 4.266 ( 1.306 -1.292 -1.792) 2.566 4.295 ( -5.481 -1.389 0.981) 5.739 4.374 ( 3.920 -2.578 -2.418) 5.278 4.489 ( 2.414 0.048 -2.457) 3.445 4.581 ( -3.125 2.061 2.184) 4.334 4.673 ( -1.197 -1.288 0.440) 1.812 4.742 ( 2.663 1.090 -1.411) 3.204 4.758 ( 0.874 -2.476 -1.132) 2.859 4.856 ( -1.316 -2.489 -2.627) 3.851 4.935 ( -0.208 3.351 5.938) 6.821 4.962 ( -0.399 1.231 3.646) 3.869 5.060 ( 4.475 6.329 -0.052) 7.751 5.218 ( -1.763 0.520 -4.784) 5.125 5.250 ( 1.009 1.116 -2.271) 2.724 5.304 ( -0.887 0.742 -2.478) 2.735 5.479 ( 7.240 8.980 -3.442) 12.038 5.556 ( -5.999 3.965 1.683) 7.385 5.660 ( 2.922 -0.460 6.627) 7.257 5.686 ( -0.404 -3.344 4.836) 5.894 5.744 ( 3.598 -3.589 5.712) 7.646 5.770 ( 5.089 0.021 -1.149) 5.218 5.870 ( -3.556 -0.419 -0.703) 3.649 5.939 ( -3.008 -3.120 -2.560) 5.034 6.129 ( 0.470 -2.382 -5.434) 5.951 6.184 ( -1.942 -0.712 5.612) 5.981 6.203 ( 1.993 4.592 -4.903) 7.007 6.251 ( -0.413 -0.819 1.328) 1.614 6.351 ( 3.139 2.374 1.485) 4.206 6.402 ( 1.935 0.963 -0.975) 2.371 6.424 ( 3.841 -3.911 4.007) 6.790 6.491 ( -0.806 -0.850 1.599) 1.982 6.531 ( -0.315 -5.758 -1.382) 5.930 6.596 ( 0.066 -0.995 -6.017) 6.099 6.715 ( 0.274 3.682 0.353) 3.709 6.828 ( 1.058 0.419 2.051) 2.346 6.937 ( -0.769 4.158 -6.973) 8.155 7.004 ( 1.813 2.620 -2.607) 4.117 7.028 ( -1.745 1.612 -2.346) 3.339 7.052 ( -3.467 -0.869 -2.134) 4.163 7.134 ( 0.607 -3.354 1.679) 3.800 7.240 ( 0.215 -1.771 -2.725) 3.258 7.358 ( 0.111 0.029 2.500) 2.503 7.408 ( -1.264 -5.236 -1.018) 5.482 7.697 ( -1.072 8.343 6.340) 10.533 7.762 ( 4.521 9.830 5.176) 11.994 7.851 ( -0.009 0.742 -1.893) 2.033 7.978 ( 0.404 5.271 1.657) 5.540 8.034 ( 1.091 7.616 -4.507) 8.917 8.132 ( -1.713 7.017 -5.797) 9.262 8.220 ( 4.824 -5.327 4.668) 8.570 8.365 ( -1.124 -4.075 3.896) 5.749 8.442 ( -0.611 -1.146 -1.233) 1.790 8.472 ( 0.243 -0.644 -1.227) 1.407 8.575 ( -0.103 2.641 2.181) 3.427 8.615 ( 0.363 -0.644 3.598) 3.673 8.748 ( 1.776 -2.322 -4.035) 4.983 8.836 ( 2.857 -4.507 -5.439) 7.620 9.018 ( -1.689 1.602 0.776) 2.454 9.094 ( 2.162 1.075 -2.143) 3.229 9.245 ( 1.239 -6.436 1.784) 6.792 9.301 ( -1.057 -6.843 0.688) 6.959 9.579 ( -1.041 0.889 4.398) 4.607 9.670 ( 0.809 0.166 2.595) 2.723 9.727 ( 4.466 -1.249 -2.778) 5.406 9.789 ( 4.186 -1.734 0.191) 4.535 10.016 ( 5.338 -1.487 -3.169) 6.383 10.053 ( 2.850 -1.717 -2.879) 4.400 10.475 ( -0.318 -1.997 0.942) 2.231 10.577 ( -8.772 -6.771 0.756) 11.107 16.643 ( 2.856 1.973 -0.123) 3.474 16.659 ( 1.296 1.561 0.161) 2.036 16.775 ( -2.792 0.575 0.910) 2.992 16.783 ( -0.871 0.121 -1.057) 1.375 17.439 ( 0.599 1.056 0.719) 1.411 17.473 ( -1.100 1.530 -0.335) 1.914 17.644 ( 2.587 -7.376 0.684) 7.847 17.692 ( -2.687 -7.729 0.993) 8.243 17.968 ( -0.934 -0.024 -0.912) 1.306 17.980 ( -3.039 -0.086 -0.322) 3.057 18.055 ( -2.042 -1.285 -0.179) 2.420 18.072 ( -1.838 -2.426 -0.852) 3.161 18.413 ( 0.227 4.888 -0.544) 4.923 18.426 ( -2.115 4.524 0.214) 4.999 18.632 ( -1.424 2.229 0.726) 2.743 18.645 ( -3.791 1.899 1.309) 4.438 21.413 ( 1.086 1.027 0.003) 1.495 21.430 ( -0.821 0.880 0.245) 1.228 21.473 ( 0.466 -1.738 0.365) 1.836 21.484 ( -0.432 -1.536 0.220) 1.611 21.828 ( 0.236 0.258 0.076) 0.358 21.831 ( 0.360 0.141 -0.212) 0.441 21.843 ( -0.168 0.167 -0.300) 0.382 21.848 ( -0.484 -0.092 -0.332) 0.594 26.805 ( 0.188 1.612 0.011) 1.623 26.816 ( -0.304 1.722 -0.375) 1.788 26.893 ( 0.531 -2.565 0.208) 2.627 26.903 ( -0.248 -2.417 0.087) 2.432 27.329 ( 1.137 0.521 0.421) 1.320 27.334 ( 0.944 0.396 0.467) 1.125 27.364 ( 0.118 0.417 0.180) 0.469 27.378 ( 0.173 0.016 -0.417) 0.452 35.121 ( -2.645 5.300 3.552) 6.907 35.220 ( -1.285 0.743 -2.995) 3.343 35.678 ( 0.935 2.534 1.863) 3.281 35.803 ( 1.080 -2.674 -5.210) 5.955 36.387 ( 0.459 7.572 2.291) 7.925 36.525 ( -4.596 7.251 -3.633) 9.322 36.762 ( 5.889 -4.489 2.907) 7.955 36.952 ( -7.132 -7.528 -1.427) 10.468 38.171 ( -2.206 4.463 1.420) 5.177 38.177 ( 1.603 2.911 -1.684) 3.726 38.399 ( 1.700 -8.600 -0.005) 8.766 38.488 ( -2.690 -10.345 -2.421) 10.960 39.739 ( 11.287 7.809 5.164) 14.664 39.939 ( 4.642 2.891 1.355) 5.634 40.152 ( 9.894 2.062 2.211) 10.346 40.480 ( -9.673 -9.668 -1.175) 13.726 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -5.045 1.014 -2.323) 5.646 1.713 ( 4.534 -1.338 1.839) 5.073 1.927 ( -14.288 8.968 -3.282) 17.186 2.125 ( 10.036 6.202 2.797) 12.124 2.339 ( -0.898 3.962 1.151) 4.223 2.344 ( -5.310 2.457 1.908) 6.155 2.369 ( 2.652 -0.896 -0.043) 2.800 2.425 ( 2.182 2.951 0.013) 3.671 2.541 ( -1.115 6.275 -2.811) 6.966 2.614 ( 7.121 1.792 1.853) 7.573 2.827 ( -8.255 -2.725 -1.882) 8.895 2.956 ( 6.858 0.587 0.993) 6.955 3.049 ( -6.254 -5.364 0.647) 8.265 3.133 ( 3.540 -2.838 2.114) 5.005 3.191 ( -7.064 -1.318 3.584) 8.030 3.352 ( -0.149 -7.184 1.328) 7.308 3.387 ( 2.447 -0.085 -3.634) 4.382 3.434 ( 3.477 -2.261 -2.215) 4.702 3.526 ( -1.253 -2.881 1.454) 3.462 3.571 ( 1.877 -4.882 -0.486) 5.253 3.795 ( -2.740 2.126 6.675) 7.522 3.870 ( -0.131 1.265 -4.129) 4.320 3.947 ( -4.879 2.631 3.845) 6.746 4.038 ( -2.659 1.940 -2.421) 4.085 4.059 ( -2.930 1.474 -2.186) 3.941 4.156 ( 3.432 2.557 -2.553) 4.983 4.183 ( -4.856 0.524 1.365) 5.072 4.204 ( 1.314 3.476 1.624) 4.055 4.297 ( -2.064 2.385 2.183) 3.836 4.380 ( 0.379 -3.325 -1.770) 3.785 4.512 ( -2.215 1.225 -4.759) 5.391 4.547 ( 2.829 -1.621 1.520) 3.597 4.648 ( -3.285 -3.318 3.662) 5.934 4.752 ( 4.358 1.567 -4.581) 6.514 4.799 ( 0.328 -0.407 1.353) 1.451 4.812 ( -0.580 -4.137 -2.617) 4.929 4.986 ( -1.762 5.422 3.173) 6.524 4.994 ( 0.838 0.569 4.122) 4.244 5.097 ( -0.260 -0.248 0.373) 0.518 5.165 ( 3.349 2.058 -5.293) 6.593 5.239 ( -2.843 3.270 -2.899) 5.214 5.277 ( 2.143 1.369 0.113) 2.545 5.406 ( -11.491 7.528 3.107) 14.084 5.547 ( 0.116 2.928 2.147) 3.633 5.710 ( -4.826 -4.131 3.495) 7.250 5.743 ( -0.438 -0.721 -0.157) 0.858 5.777 ( 0.400 -5.042 4.131) 6.530 5.813 ( -1.627 -5.917 -3.562) 7.095 5.876 ( 2.751 0.587 -2.274) 3.617 5.902 ( 5.737 -2.026 -1.822) 6.351 6.061 ( -6.485 4.414 1.892) 8.070 6.136 ( -0.092 1.950 -0.059) 1.953 6.215 ( -1.166 3.292 0.094) 3.493 6.283 ( 2.450 -1.882 -0.314) 3.105 6.390 ( -1.578 -1.533 -0.119) 2.204 6.397 ( -0.306 -0.423 1.149) 1.262 6.457 ( -3.014 -2.843 0.520) 4.176 6.493 ( -1.195 -7.583 -2.664) 8.126 6.540 ( 3.385 1.104 0.630) 3.616 6.583 ( 4.238 0.553 -4.854) 6.468 6.758 ( 1.403 5.929 4.740) 7.719 6.793 ( -0.288 4.758 -6.460) 8.028 6.922 ( -1.414 3.582 -2.105) 4.389 6.949 ( 1.100 2.961 -0.929) 3.293 7.019 ( 2.005 -1.741 0.671) 2.739 7.040 ( 2.443 -1.978 -1.703) 3.575 7.142 ( -3.510 -3.102 4.234) 6.314 7.225 ( 1.816 -4.050 -3.722) 5.793 7.360 ( -3.972 -1.490 1.510) 4.503 7.383 ( -0.490 -2.369 2.292) 3.332 7.712 ( -4.585 8.227 3.404) 10.015 7.804 ( 1.767 4.860 -2.039) 5.558 7.911 ( -0.422 9.676 7.372) 12.172 7.957 ( -1.984 7.133 -7.035) 10.213 7.994 ( -2.478 7.512 1.408) 8.035 8.071 ( 4.014 5.715 -2.282) 7.347 8.324 ( -4.404 -5.363 -4.262) 8.144 8.341 ( 2.341 -4.113 4.899) 6.812 8.419 ( -2.096 -0.406 2.927) 3.622 8.461 ( 0.394 -0.314 -1.680) 1.754 8.578 ( -3.643 -1.674 4.965) 6.382 8.655 ( 1.951 -0.727 -2.069) 2.935 8.724 ( -1.267 -3.708 0.767) 3.993 8.799 ( 1.428 -3.863 -7.367) 8.440 9.005 ( -3.897 2.627 4.623) 6.593 9.091 ( 1.592 1.808 -3.963) 4.638 9.254 ( -3.077 -6.535 2.690) 7.708 9.305 ( 1.345 -6.087 -0.522) 6.256 9.574 ( -5.448 1.247 4.621) 7.252 9.693 ( 0.654 1.455 -1.935) 2.508 9.714 ( -5.119 -4.655 3.046) 7.560 9.831 ( 2.532 -4.601 -4.336) 6.810 10.007 ( -3.770 0.141 -3.178) 4.933 10.039 ( -0.334 -1.356 -2.015) 2.452 10.484 ( -2.164 -1.869 0.459) 2.896 10.552 ( 7.168 -5.011 2.923) 9.222 16.639 ( -3.067 2.169 0.241) 3.764 16.663 ( -1.327 1.129 -0.170) 1.750 16.765 ( 1.326 1.260 0.726) 1.968 16.795 ( 2.975 -0.230 -1.010) 3.150 17.451 ( -0.704 0.911 -0.353) 1.204 17.465 ( 1.411 1.580 0.400) 2.156 17.655 ( -2.161 -7.186 -0.302) 7.510 17.700 ( 3.339 -7.524 0.338) 8.239 17.953 ( -0.242 -0.129 0.502) 0.572 17.972 ( 1.645 -0.444 0.412) 1.753 18.052 ( 1.016 -1.696 0.159) 1.984 18.061 ( 1.885 -1.758 -0.019) 2.578 18.409 ( 0.403 5.223 -0.063) 5.238 18.441 ( 3.730 3.840 -1.284) 5.505 18.630 ( 0.818 2.740 0.972) 3.020 18.659 ( 3.745 1.477 0.059) 4.026 21.414 ( -1.055 1.102 -0.041) 1.526 21.433 ( 1.133 0.998 0.012) 1.509 21.477 ( -0.548 -2.035 -0.012) 2.108 21.484 ( 0.392 -1.562 0.218) 1.625 21.829 ( -0.135 0.285 -0.034) 0.318 21.833 ( 0.131 0.112 -0.399) 0.435 21.839 ( -0.279 0.170 0.057) 0.332 21.843 ( 0.247 -0.018 0.141) 0.285 26.802 ( -0.599 1.613 0.194) 1.731 26.815 ( 0.639 1.651 -0.269) 1.790 26.895 ( -0.611 -2.628 0.065) 2.699 26.904 ( 0.471 -2.436 -0.064) 2.482 27.332 ( -1.293 0.729 0.122) 1.489 27.340 ( -0.709 0.512 -0.027) 0.875 27.365 ( -0.381 0.129 0.329) 0.519 27.372 ( -0.016 -0.066 -0.205) 0.216 35.149 ( 1.069 4.107 3.834) 5.719 35.195 ( 2.544 2.608 -3.520) 5.066 35.718 ( 0.582 0.385 2.556) 2.649 35.759 ( 0.886 -1.166 -5.527) 5.718 36.401 ( -3.836 6.875 1.907) 8.100 36.475 ( 3.420 6.989 0.148) 7.783 36.798 ( -6.521 -4.014 -0.177) 7.660 36.932 ( 8.652 -6.885 0.036) 11.057 38.134 ( -3.035 4.260 1.778) 5.524 38.217 ( 4.559 2.531 -2.190) 5.656 38.405 ( -3.411 -8.604 -0.550) 9.272 38.453 ( 2.612 -9.410 0.620) 9.785 39.824 ( -11.458 7.184 -2.256) 13.711 39.923 ( 1.922 7.655 2.136) 8.177 40.212 ( -15.952 -3.844 -2.909) 16.664 40.413 ( 10.731 -8.570 5.045) 14.630 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -7.018 5.440 -2.158) 9.138 1.637 ( -10.763 12.530 -5.031) 17.267 1.778 ( -2.891 1.581 3.597) 4.878 2.182 ( -2.287 2.501 -5.610) 6.554 2.293 ( 0.383 3.780 0.245) 3.807 2.329 ( -3.051 0.118 4.061) 5.081 2.421 ( 4.921 -4.274 0.224) 6.521 2.540 ( 1.628 9.402 3.102) 10.033 2.547 ( 3.719 6.640 -1.790) 7.818 2.660 ( -3.876 -10.816 -4.155) 12.218 2.779 ( 5.564 -1.957 3.590) 6.905 2.905 ( -4.574 -1.247 -0.138) 4.743 3.016 ( -10.749 -2.812 -4.187) 11.873 3.122 ( 0.220 -5.453 0.841) 5.521 3.218 ( 1.834 1.170 3.547) 4.161 3.270 ( -4.332 -4.581 -1.197) 6.417 3.393 ( 1.797 0.515 -1.795) 2.591 3.463 ( 3.210 -0.422 0.170) 3.242 3.508 ( -7.021 -0.459 0.479) 7.052 3.613 ( -2.699 -4.474 3.466) 6.270 3.773 ( -8.967 5.226 1.985) 10.567 3.803 ( -3.574 1.244 -3.317) 5.032 3.864 ( -5.355 2.008 0.183) 5.722 3.898 ( -4.581 2.732 2.361) 5.833 4.023 ( 1.451 -0.401 -7.289) 7.443 4.060 ( -10.533 -0.199 2.343) 10.792 4.173 ( 1.675 5.405 -2.010) 6.005 4.239 ( -2.323 2.683 2.393) 4.280 4.311 ( 2.550 -0.253 0.089) 2.564 4.382 ( 1.668 -0.190 0.084) 1.681 4.453 ( 0.786 0.999 -1.336) 1.845 4.610 ( 0.113 -1.023 4.302) 4.424 4.653 ( -0.692 -3.889 2.363) 4.603 4.730 ( 0.243 -4.963 -4.861) 6.951 4.793 ( 3.512 0.487 -3.136) 4.733 4.836 ( -1.139 4.013 3.640) 5.536 4.922 ( -5.617 3.390 -0.289) 6.567 5.020 ( 1.212 2.086 -4.649) 5.238 5.072 ( 2.966 -1.792 -9.723) 10.322 5.155 ( -2.895 1.494 3.776) 4.987 5.266 ( 2.264 0.006 4.595) 5.123 5.283 ( -2.524 2.792 5.100) 6.338 5.328 ( -0.806 5.834 0.527) 5.913 5.499 ( -10.570 -6.623 3.588) 12.980 5.605 ( -6.005 -0.841 -0.784) 6.114 5.695 ( -1.389 -2.062 -4.306) 4.972 5.727 ( 0.237 -2.457 -0.907) 2.629 5.801 ( -0.517 1.630 -6.371) 6.597 5.897 ( 2.126 -0.771 4.259) 4.822 5.983 ( -6.076 -1.968 6.977) 9.459 6.031 ( 2.029 2.798 1.626) 3.820 6.138 ( -2.582 2.815 2.337) 4.478 6.173 ( -0.758 3.212 -3.514) 4.821 6.268 ( -4.419 -3.871 -5.995) 8.394 6.339 ( -0.654 0.906 1.634) 1.980 6.387 ( -0.620 -2.598 -1.856) 3.253 6.438 ( 1.472 -2.883 0.130) 3.240 6.475 ( 0.145 -3.927 3.046) 4.972 6.540 ( 0.384 0.580 -7.033) 7.067 6.608 ( 2.982 -0.268 0.447) 3.027 6.726 ( -0.960 3.214 -2.787) 4.361 6.851 ( -0.803 1.947 -3.438) 4.032 6.880 ( 1.665 6.485 7.196) 9.830 6.959 ( -1.332 2.445 2.227) 3.565 7.056 ( 0.748 -0.956 0.437) 1.290 7.097 ( 1.132 -1.734 0.494) 2.129 7.135 ( 3.057 -0.883 0.704) 3.258 7.225 ( 1.457 -4.570 -1.971) 5.185 7.327 ( -2.168 0.649 3.565) 4.223 7.392 ( -1.270 -2.964 2.057) 3.825 7.646 ( -4.537 9.630 0.873) 10.681 7.785 ( -4.728 3.556 -3.387) 6.817 7.831 ( -0.350 1.349 -1.328) 1.925 7.926 ( -2.702 9.019 1.828) 9.591 8.041 ( -0.183 3.256 0.902) 3.383 8.119 ( 1.645 6.221 1.685) 6.652 8.181 ( -4.135 -2.833 -5.121) 7.165 8.354 ( -4.269 -6.131 1.058) 7.545 8.442 ( 0.130 1.714 4.163) 4.504 8.454 ( 1.202 0.840 -1.967) 2.453 8.572 ( -1.052 -3.030 0.909) 3.334 8.621 ( -2.040 -1.637 -2.225) 3.434 8.709 ( -2.438 0.749 -0.538) 2.607 8.768 ( 0.686 -2.044 -0.421) 2.197 8.974 ( -5.389 1.909 4.303) 7.155 9.071 ( -0.114 3.694 -1.962) 4.184 9.215 ( -3.194 -5.803 0.713) 6.662 9.313 ( -0.947 -6.608 -0.219) 6.679 9.481 ( -9.872 2.630 2.367) 10.487 9.616 ( -4.659 -0.312 -0.370) 4.685 9.681 ( -4.850 -2.426 3.282) 6.338 9.789 ( 0.213 -3.999 -8.046) 8.988 9.899 ( -4.693 -1.179 -1.075) 4.957 9.991 ( -3.850 -5.769 1.426) 7.081 10.476 ( -0.748 2.913 -0.225) 3.016 10.729 ( 8.816 -9.707 1.671) 13.220 16.585 ( -3.271 1.928 0.273) 3.807 16.622 ( -2.677 0.406 -0.095) 2.709 16.811 ( 2.440 1.321 0.511) 2.822 16.834 ( 2.719 -0.093 -1.144) 2.951 17.434 ( -0.610 0.332 -0.449) 0.827 17.506 ( 2.974 2.844 0.103) 4.116 17.614 ( -1.757 -6.634 -1.130) 6.955 17.754 ( 3.039 -7.314 -1.050) 7.989 17.978 ( 1.575 -0.037 1.696) 2.315 18.028 ( 2.931 -1.379 2.339) 3.995 18.100 ( 4.262 -0.175 0.737) 4.329 18.123 ( 4.686 -1.481 0.172) 4.917 18.434 ( 2.943 5.902 -0.429) 6.609 18.514 ( 6.796 2.121 -1.480) 7.272 18.693 ( 5.787 3.678 0.258) 6.862 18.756 ( 7.940 0.939 -0.591) 8.017 21.396 ( -0.935 1.034 -0.078) 1.396 21.446 ( 0.456 0.090 -0.805) 0.929 21.466 ( -0.449 -1.612 0.170) 1.682 21.491 ( 0.329 -1.092 0.044) 1.141 21.825 ( -0.242 0.218 -0.160) 0.363 21.826 ( -0.242 0.147 -0.245) 0.374 21.841 ( 0.046 0.255 0.485) 0.550 21.852 ( 0.395 -0.205 0.426) 0.616 26.795 ( -0.525 1.510 0.330) 1.632 26.826 ( 0.766 1.806 -0.076) 1.963 26.883 ( -0.727 -2.699 -0.031) 2.795 26.909 ( 0.337 -2.211 -0.214) 2.247 27.301 ( -2.231 0.679 -0.030) 2.332 27.310 ( -2.230 0.281 -0.274) 2.264 27.356 ( -0.995 0.544 -0.081) 1.137 27.367 ( -0.809 0.081 0.143) 0.825 35.232 ( 5.723 3.938 -0.174) 6.949 35.238 ( 5.319 2.909 0.406) 6.076 35.697 ( -0.482 1.229 -4.415) 4.608 35.768 ( 1.147 -1.504 1.852) 2.647 36.365 ( -1.654 6.867 1.456) 7.212 36.574 ( 3.670 3.641 5.105) 7.265 36.686 ( -3.634 3.203 -3.199) 5.805 37.094 ( 9.071 -9.792 0.977) 13.384 38.125 ( -0.434 3.283 2.551) 4.180 38.259 ( 3.356 2.170 -3.974) 5.636 38.365 ( -0.846 -7.546 1.600) 7.760 38.505 ( 1.272 -10.016 1.866) 10.267 39.524 ( -18.510 5.451 -4.152) 19.737 39.722 ( -22.252 -3.815 -4.565) 23.034 40.045 ( -4.074 13.285 1.064) 13.936 40.582 ( 3.243 -13.697 2.184) 14.244 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -11.125 14.962 5.747) 19.510 1.539 ( -3.283 11.184 4.373) 12.449 1.738 ( -5.262 4.358 3.527) 7.689 2.043 ( -3.997 -2.334 -8.052) 9.288 2.253 ( -6.653 -1.077 1.879) 6.997 2.312 ( -8.795 -1.228 0.594) 8.901 2.417 ( -5.640 -0.573 -4.213) 7.063 2.491 ( 0.445 -1.064 -1.847) 2.177 2.587 ( 1.294 2.891 -1.691) 3.590 2.647 ( -2.945 1.925 0.018) 3.518 2.682 ( -7.687 2.763 -5.622) 9.916 2.853 ( 0.085 -0.810 0.039) 0.815 2.947 ( 1.161 -4.960 0.212) 5.099 3.046 ( -2.981 -13.883 -1.722) 14.303 3.168 ( -12.901 8.441 -0.413) 15.422 3.251 ( -1.949 2.293 -0.173) 3.015 3.300 ( -7.109 -1.448 -1.663) 7.443 3.368 ( -4.426 5.497 -3.838) 8.034 3.480 ( -17.181 1.067 4.165) 17.711 3.525 ( 0.387 -2.878 3.158) 4.290 3.600 ( -1.659 -0.278 -4.648) 4.943 3.783 ( -1.465 -0.555 -5.253) 5.481 3.812 ( -3.022 -1.745 7.044) 7.861 3.892 ( 0.182 3.201 0.447) 3.237 3.929 ( -3.477 -3.735 0.613) 5.139 4.007 ( 1.570 0.593 -1.654) 2.356 4.154 ( -0.164 6.088 -2.746) 6.680 4.250 ( 0.845 -0.596 -0.073) 1.037 4.335 ( 3.444 3.813 -0.572) 5.170 4.396 ( 0.120 0.035 -1.532) 1.538 4.473 ( 1.022 0.804 -2.278) 2.623 4.635 ( 0.736 -1.226 -0.725) 1.603 4.663 ( 0.855 0.173 3.088) 3.209 4.717 ( -4.639 -0.598 2.613) 5.357 4.806 ( 3.326 0.002 -3.245) 4.647 4.828 ( 0.671 -0.871 0.868) 1.401 4.871 ( -1.153 2.128 -4.584) 5.183 4.984 ( 0.660 -1.498 -0.934) 1.885 5.003 ( 1.054 0.889 -7.291) 7.420 5.135 ( -5.241 0.466 1.648) 5.514 5.230 ( -5.292 -1.969 1.690) 5.894 5.289 ( -3.780 3.094 3.904) 6.253 5.364 ( -2.812 -1.528 3.097) 4.453 5.472 ( 7.877 5.038 4.686) 10.459 5.530 ( -3.109 -1.213 -0.443) 3.366 5.649 ( 0.196 2.109 -4.735) 5.187 5.721 ( -1.022 0.004 -3.682) 3.821 5.794 ( 3.536 -0.707 0.814) 3.697 5.883 ( -3.741 1.298 0.719) 4.024 5.970 ( -7.333 -3.603 7.797) 11.293 6.015 ( -2.960 -0.718 0.531) 3.091 6.077 ( -4.564 1.566 0.478) 4.849 6.140 ( 0.335 -1.370 -2.173) 2.590 6.170 ( -4.951 -1.227 3.839) 6.385 6.356 ( 0.488 -1.339 1.728) 2.240 6.378 ( 3.591 0.469 -2.026) 4.149 6.446 ( -0.063 1.848 -7.807) 8.023 6.483 ( 2.928 0.353 -1.963) 3.543 6.563 ( 3.496 -0.793 6.008) 6.996 6.668 ( 4.200 -4.828 -1.517) 6.577 6.706 ( -0.515 2.110 2.422) 3.253 6.808 ( -2.301 0.228 0.032) 2.312 6.914 ( -3.212 2.946 1.408) 4.580 6.954 ( -2.371 2.281 2.084) 3.894 7.092 ( 1.977 -1.110 0.522) 2.326 7.119 ( 1.815 -0.273 1.808) 2.576 7.185 ( 0.432 3.115 0.340) 3.163 7.236 ( 0.129 0.473 3.458) 3.493 7.393 ( 2.640 1.899 1.884) 3.759 7.393 ( 1.091 -2.296 4.641) 5.292 7.579 ( -3.834 0.255 -2.504) 4.587 7.694 ( -3.714 1.872 -4.567) 6.177 7.760 ( -3.612 1.884 -0.392) 4.093 7.886 ( -3.832 -3.773 -0.926) 5.457 8.007 ( 0.122 3.706 -1.138) 3.879 8.075 ( -5.112 4.282 -0.017) 6.668 8.169 ( 0.931 3.245 0.707) 3.449 8.272 ( -6.110 -3.890 0.497) 7.260 8.459 ( -2.162 -0.319 -2.280) 3.158 8.472 ( 4.910 -0.858 -6.686) 8.339 8.541 ( -0.881 0.713 -0.721) 1.343 8.583 ( 0.298 2.485 0.562) 2.565 8.669 ( -3.125 0.919 3.252) 4.603 8.772 ( -0.881 -0.479 0.874) 1.330 8.926 ( -6.449 2.543 5.876) 9.088 9.041 ( -2.374 3.136 -0.390) 3.952 9.172 ( -0.890 -4.178 -2.276) 4.840 9.232 ( -8.404 -2.256 2.406) 9.028 9.364 ( -7.898 2.680 4.253) 9.362 9.558 ( -3.863 -1.862 2.384) 4.906 9.609 ( -7.746 -4.867 3.826) 9.916 9.672 ( 0.229 2.430 -12.667) 12.900 9.848 ( -0.767 -2.326 -1.176) 2.717 9.964 ( -3.885 -10.252 6.288) 12.638 10.422 ( -4.149 4.929 -2.192) 6.805 10.827 ( 3.278 -15.432 -3.997) 16.275 16.539 ( -2.548 1.615 0.250) 3.027 16.580 ( -1.946 0.024 -0.574) 2.029 16.845 ( 0.938 0.660 0.473) 1.241 16.861 ( 1.903 -0.256 -1.025) 2.177 17.424 ( -0.373 0.113 0.053) 0.394 17.550 ( 2.255 3.593 -3.579) 5.550 17.586 ( 0.380 -6.553 1.130) 6.660 17.771 ( 1.385 -6.604 -2.743) 7.284 18.031 ( 1.607 0.655 2.879) 3.362 18.107 ( 2.478 -2.607 3.110) 4.755 18.191 ( 4.832 0.656 0.435) 4.895 18.207 ( 5.046 0.251 -0.322) 5.063 18.511 ( 6.440 6.855 1.109) 9.471 18.639 ( 9.241 0.686 -0.901) 9.310 18.821 ( 8.790 3.980 -0.125) 9.650 18.899 ( 9.503 0.716 -1.084) 9.592 21.382 ( -0.628 0.729 0.033) 0.963 21.422 ( -1.312 -1.322 -1.271) 2.255 21.473 ( 0.456 0.228 0.252) 0.569 21.496 ( 0.242 -0.666 -0.065) 0.712 21.817 ( -0.281 0.203 -0.219) 0.410 21.822 ( -0.164 -0.048 -0.082) 0.190 21.850 ( 0.135 0.132 1.007) 1.025 21.864 ( 0.461 -0.446 0.612) 0.887 26.793 ( -0.380 1.463 0.616) 1.632 26.835 ( 0.525 1.846 -0.565) 2.001 26.876 ( -0.209 -2.540 0.618) 2.623 26.913 ( 0.462 -1.915 -0.349) 2.000 27.262 ( -2.316 0.683 0.047) 2.415 27.269 ( -2.271 0.237 0.031) 2.283 27.332 ( -1.416 0.945 -0.179) 1.712 27.349 ( -1.286 0.195 -0.123) 1.307 35.345 ( 10.175 4.046 -3.519) 11.501 35.372 ( 7.426 1.821 3.800) 8.539 35.640 ( -1.498 3.859 -2.981) 5.101 35.802 ( 0.879 -2.724 1.066) 3.055 36.381 ( 0.749 6.929 2.640) 7.453 36.590 ( -2.863 1.533 -0.914) 3.374 36.724 ( 5.673 8.236 5.059) 11.207 37.243 ( 6.996 -12.456 0.746) 14.306 38.180 ( 3.379 1.892 2.856) 4.812 38.258 ( 2.921 1.139 -3.535) 4.725 38.398 ( 1.251 -5.905 1.633) 6.253 38.519 ( -1.997 -10.259 1.041) 10.503 39.150 ( -20.478 3.709 -2.717) 20.988 39.265 ( -25.410 -1.593 -2.744) 25.608 39.955 ( -5.829 15.419 -2.582) 16.685 40.530 ( -7.400 -15.140 -6.550) 18.080 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -9.415 12.439 17.196) 23.218 1.469 ( -16.572 15.576 13.362) 26.377 1.730 ( -0.575 0.263 7.819) 7.844 1.866 ( -7.855 7.441 -13.360) 17.192 2.053 ( -10.799 -8.574 1.573) 13.878 2.167 ( -3.328 -3.142 -3.791) 5.943 2.206 ( -5.031 7.347 -7.361) 11.553 2.415 ( -14.496 8.975 4.939) 17.750 2.559 ( 7.870 0.724 -5.838) 9.826 2.615 ( 1.764 -0.198 -0.287) 1.798 2.675 ( 4.944 -0.568 -6.114) 7.883 2.798 ( -11.765 -0.188 -4.597) 12.632 2.917 ( 1.854 1.570 2.788) 3.698 2.961 ( -5.630 -3.462 -4.493) 7.992 3.021 ( -3.163 -3.220 -2.931) 5.382 3.144 ( -7.624 -3.088 -0.843) 8.269 3.182 ( -4.633 -1.165 -0.942) 4.869 3.238 ( -3.631 -2.058 -1.523) 4.443 3.324 ( -6.652 5.968 0.346) 8.943 3.500 ( -2.125 -0.453 -6.958) 7.289 3.541 ( 0.213 -0.683 0.463) 0.852 3.704 ( -4.036 0.902 -1.110) 4.282 3.817 ( -0.740 -5.983 1.699) 6.264 3.898 ( -0.798 -1.812 0.363) 2.013 3.947 ( 0.067 2.339 5.870) 6.319 4.052 ( 3.127 -1.280 1.442) 3.674 4.142 ( 1.229 5.085 -0.827) 5.297 4.257 ( 2.723 -1.953 -3.827) 5.086 4.391 ( 0.973 2.374 1.109) 2.795 4.413 ( 4.870 2.635 -1.723) 5.799 4.448 ( 1.613 -1.793 -3.323) 4.106 4.604 ( -4.606 5.075 -0.762) 6.896 4.654 ( 0.084 1.024 -0.012) 1.027 4.738 ( 1.216 -5.062 0.053) 5.206 4.779 ( -1.388 -4.516 -5.576) 7.308 4.801 ( -4.516 0.518 -0.062) 4.546 4.858 ( 4.581 1.456 -2.953) 5.641 4.974 ( 2.218 -1.430 0.957) 2.808 5.013 ( -0.162 3.280 0.580) 3.335 5.063 ( -2.206 1.052 1.394) 2.813 5.182 ( -2.315 -0.723 1.697) 2.961 5.308 ( 0.171 4.583 3.541) 5.794 5.401 ( 1.039 0.558 1.416) 1.842 5.470 ( -1.638 0.975 -0.745) 2.047 5.553 ( -0.665 5.451 -4.400) 7.037 5.588 ( -1.849 4.497 -4.318) 6.503 5.695 ( 0.652 -0.887 -0.680) 1.294 5.764 ( -1.007 1.433 -0.881) 1.960 5.872 ( -2.043 -0.798 1.731) 2.794 5.967 ( -3.125 2.010 4.815) 6.081 5.989 ( -3.565 -3.982 4.284) 6.850 6.074 ( 1.463 -4.447 2.833) 5.471 6.119 ( -4.731 -1.212 5.716) 7.518 6.155 ( 2.379 0.476 1.164) 2.691 6.383 ( 0.624 -1.132 -1.251) 1.799 6.428 ( 2.840 0.359 5.324) 6.044 6.442 ( 5.619 -0.148 -2.780) 6.271 6.511 ( 2.471 1.488 -1.508) 3.255 6.681 ( -1.055 -3.798 0.403) 3.963 6.700 ( 5.493 1.600 1.648) 5.954 6.720 ( -0.613 -2.131 0.294) 2.237 6.818 ( 0.708 -0.877 2.571) 2.808 6.866 ( -0.974 1.917 -1.255) 2.490 6.925 ( 0.060 -1.151 0.509) 1.260 7.120 ( 1.209 3.440 -2.849) 4.628 7.150 ( 1.310 3.210 2.228) 4.121 7.192 ( -1.629 3.342 0.608) 3.767 7.298 ( -2.413 -1.901 11.188) 11.602 7.363 ( -6.706 -1.175 -0.483) 6.826 7.419 ( -9.759 -2.274 -6.155) 11.760 7.525 ( 5.822 2.498 -0.699) 6.373 7.620 ( 2.975 -2.488 3.345) 5.122 7.764 ( 0.136 -1.289 -1.532) 2.007 7.794 ( 0.465 -1.669 -3.981) 4.342 8.022 ( -2.004 4.209 2.574) 5.325 8.026 ( 1.606 0.930 0.772) 2.010 8.163 ( -3.791 -2.136 0.714) 4.410 8.192 ( -1.448 1.618 -0.801) 2.314 8.325 ( -4.904 -1.012 -6.533) 8.231 8.396 ( -5.371 -5.796 -5.148) 9.431 8.555 ( 2.793 3.201 -0.856) 4.333 8.650 ( 0.423 2.464 1.217) 2.781 8.691 ( 5.758 3.004 1.839) 6.750 8.781 ( 0.118 2.174 3.212) 3.881 8.879 ( -6.398 4.499 4.600) 9.074 8.969 ( -4.665 1.016 -1.642) 5.049 9.134 ( -2.912 1.398 1.396) 3.519 9.171 ( -1.547 -3.268 1.972) 4.119 9.276 ( -9.689 4.791 7.751) 13.301 9.495 ( -9.888 -6.271 8.129) 14.254 9.527 ( 1.261 5.119 -12.407) 13.480 9.581 ( 2.040 -0.175 -3.648) 4.183 9.829 ( 0.031 -2.288 -1.134) 2.554 9.991 ( -1.522 -10.036 5.903) 11.743 10.315 ( -5.361 1.935 -0.415) 5.714 10.753 ( -1.497 -17.644 -10.796) 20.739 16.507 ( -1.502 1.159 0.188) 1.907 16.541 ( -1.377 -0.233 -1.298) 1.906 16.859 ( 0.046 0.438 0.959) 1.055 16.878 ( 1.314 -0.449 -0.802) 1.603 17.424 ( -0.029 0.197 0.732) 0.758 17.516 ( -0.390 0.270 -3.325) 3.359 17.629 ( 2.259 -4.069 0.171) 4.658 17.747 ( -0.039 -6.096 -3.511) 7.035 18.088 ( 0.879 1.259 3.533) 3.852 18.163 ( 0.824 -2.578 1.890) 3.301 18.252 ( 2.303 1.349 -0.439) 2.705 18.267 ( 2.910 1.309 -1.302) 3.447 18.667 ( 7.603 6.433 3.334) 10.503 18.780 ( 7.585 1.230 -0.927) 7.740 18.960 ( 6.759 3.213 0.434) 7.496 19.027 ( 6.455 0.754 -1.340) 6.635 21.377 ( -0.122 0.401 0.143) 0.443 21.390 ( -1.034 -0.327 -0.476) 1.185 21.481 ( 0.227 0.378 0.100) 0.452 21.497 ( -0.033 -0.348 -0.225) 0.416 21.813 ( -0.052 0.028 -0.108) 0.123 21.818 ( -0.171 -0.215 -0.124) 0.301 21.865 ( 0.118 -0.213 1.269) 1.293 21.879 ( 0.479 -0.761 0.512) 1.034 26.795 ( -0.282 1.462 0.890) 1.734 26.831 ( 0.204 1.360 -1.050) 1.730 26.888 ( 0.226 -1.958 1.128) 2.271 26.917 ( 0.563 -1.775 -0.502) 1.929 27.228 ( -1.643 0.734 0.158) 1.806 27.236 ( -1.577 0.321 -0.058) 1.610 27.313 ( -0.701 0.940 0.211) 1.192 27.327 ( -0.852 0.314 -0.254) 0.943 35.478 ( 9.099 3.830 -3.000) 10.318 35.547 ( 7.392 1.432 2.379) 7.896 35.586 ( -1.887 4.772 -0.340) 5.143 35.813 ( -0.146 -3.455 -0.973) 3.592 36.434 ( 1.238 7.325 3.225) 8.099 36.556 ( 0.475 7.751 -1.839) 7.981 36.909 ( 8.346 -1.008 8.305) 11.817 37.321 ( 0.694 -14.881 0.235) 14.899 38.259 ( 5.110 1.538 -2.534) 5.907 38.344 ( 8.470 0.688 1.867) 8.701 38.405 ( -1.798 -5.361 -0.852) 5.719 38.468 ( -3.594 -6.850 1.632) 7.906 38.808 ( -17.408 2.386 -0.823) 17.590 38.858 ( -19.736 0.379 -0.217) 19.741 39.829 ( -2.959 14.144 -4.548) 15.149 40.217 ( -15.131 -6.548 -12.152) 20.482 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -1.193 -8.976 9.789) 13.335 1.518 ( -1.193 8.976 9.789) 13.335 1.853 ( -0.011 -10.472 12.661) 16.431 1.853 ( -0.011 10.472 12.661) 16.431 2.003 ( 4.540 -11.151 -4.089) 12.715 2.003 ( 4.540 11.151 -4.089) 12.715 2.244 ( 0.813 -9.748 -17.199) 19.786 2.244 ( 0.813 9.748 -17.199) 19.786 2.568 ( 0.833 -9.726 1.313) 9.850 2.568 ( 0.833 9.726 1.313) 9.850 2.682 ( -2.804 -7.320 -5.996) 9.869 2.682 ( -2.804 7.320 -5.996) 9.869 2.836 ( -3.027 -3.081 -0.855) 4.403 2.836 ( -3.027 3.081 -0.855) 4.403 2.993 ( -0.852 -1.674 1.026) 2.141 2.993 ( -0.852 1.674 1.026) 2.141 3.187 ( 1.709 -2.249 1.191) 3.065 3.187 ( 1.709 2.249 1.191) 3.065 3.345 ( -1.577 -6.472 -0.807) 6.710 3.345 ( -1.577 6.472 -0.807) 6.710 3.698 ( 2.046 -6.960 0.995) 7.322 3.698 ( 2.046 6.960 0.995) 7.322 3.759 ( -1.832 -10.012 -0.361) 10.184 3.759 ( -1.832 10.012 -0.361) 10.184 4.061 ( 1.124 -2.589 2.796) 3.973 4.061 ( 1.124 2.589 2.796) 3.973 4.203 ( 0.458 -2.030 -2.688) 3.399 4.203 ( 0.458 2.030 -2.688) 3.399 4.401 ( -0.665 -0.290 -1.456) 1.626 4.401 ( -0.665 0.290 -1.456) 1.626 4.533 ( -1.733 -3.941 2.732) 5.099 4.533 ( -1.733 3.941 2.732) 5.099 4.642 ( 2.217 -1.844 -3.646) 4.649 4.642 ( 2.217 1.844 -3.646) 4.649 4.748 ( -0.489 -0.455 -1.232) 1.402 4.748 ( -0.489 0.455 -1.232) 1.402 4.974 ( 1.477 -3.056 1.068) 3.558 4.974 ( 1.477 3.056 1.068) 3.558 5.079 ( 1.036 -1.119 -1.858) 2.404 5.079 ( 1.036 1.119 -1.858) 2.404 5.293 ( 0.378 -6.474 4.191) 7.722 5.293 ( 0.378 6.474 4.191) 7.722 5.402 ( -1.682 -2.917 -1.472) 3.674 5.402 ( -1.682 2.917 -1.472) 3.674 5.607 ( -1.057 -0.938 -0.475) 1.491 5.607 ( -1.057 0.938 -0.475) 1.491 5.677 ( 0.501 -3.175 -1.856) 3.711 5.677 ( 0.501 3.175 -1.856) 3.711 5.917 ( -1.867 -0.491 1.713) 2.581 5.917 ( -1.867 0.491 1.713) 2.581 6.024 ( 0.350 -3.654 0.917) 3.784 6.024 ( 0.350 3.654 0.917) 3.784 6.247 ( 1.683 -1.905 7.113) 7.554 6.247 ( 1.683 1.905 7.113) 7.554 6.385 ( 0.684 -1.816 -0.736) 2.076 6.385 ( 0.684 1.816 -0.736) 2.076 6.548 ( -1.654 -1.419 0.129) 2.184 6.548 ( -1.654 1.419 0.129) 2.184 6.599 ( 1.491 -4.467 -2.482) 5.323 6.599 ( 1.491 4.467 -2.482) 5.323 6.846 ( 2.005 -3.105 1.742) 4.086 6.846 ( 2.005 3.105 1.742) 4.086 6.919 ( 1.908 -1.455 -0.979) 2.591 6.919 ( 1.908 1.455 -0.979) 2.591 7.147 ( -3.467 -1.280 -0.979) 3.823 7.147 ( -3.467 1.280 -0.979) 3.823 7.180 ( -3.897 -1.186 -1.358) 4.294 7.180 ( -3.897 1.186 -1.358) 4.294 7.353 ( 3.266 -3.132 7.619) 8.862 7.353 ( 3.266 3.132 7.619) 8.862 7.591 ( 0.372 -6.633 -11.419) 13.210 7.591 ( 0.372 6.633 -11.419) 13.210 7.795 ( 1.472 -1.109 4.794) 5.136 7.795 ( 1.472 1.109 4.794) 5.136 8.055 ( -0.141 -1.819 2.547) 3.133 8.055 ( -0.141 1.819 2.547) 3.133 8.112 ( -0.535 -3.072 -1.616) 3.512 8.112 ( -0.535 3.072 -1.616) 3.512 8.239 ( -1.284 -0.310 -1.011) 1.663 8.239 ( -1.284 0.310 -1.011) 1.663 8.613 ( 0.220 -1.094 -1.924) 2.224 8.613 ( 0.220 1.094 -1.924) 2.224 8.838 ( 1.269 -0.662 -0.029) 1.432 8.838 ( 1.269 0.662 -0.029) 1.432 8.964 ( -1.277 -3.456 3.365) 4.990 8.964 ( -1.277 3.456 3.365) 4.990 9.111 ( 0.216 -3.947 0.872) 4.048 9.111 ( 0.216 3.947 0.872) 4.048 9.346 ( -5.041 -5.382 8.820) 11.496 9.346 ( -5.041 5.382 8.820) 11.496 9.567 ( 6.264 -4.312 -11.335) 13.650 9.567 ( 6.264 4.312 -11.335) 13.650 9.871 ( -2.500 -6.915 11.359) 13.531 9.871 ( -2.500 6.915 11.359) 13.531 10.334 ( 0.901 -10.279 -10.643) 14.824 10.334 ( 0.901 10.279 -10.643) 14.824 16.508 ( -0.036 -0.497 -0.373) 0.622 16.508 ( -0.036 0.497 -0.373) 0.622 16.877 ( 0.125 -0.514 0.039) 0.531 16.877 ( 0.125 0.514 0.039) 0.531 17.472 ( 0.063 -1.981 0.718) 2.108 17.472 ( 0.063 1.981 0.718) 2.108 17.617 ( -0.064 -1.977 -2.520) 3.204 17.617 ( -0.064 1.977 -2.520) 3.204 18.152 ( -0.644 -1.076 2.640) 2.923 18.152 ( -0.644 1.076 2.640) 2.923 18.284 ( 0.267 -0.698 -1.363) 1.555 18.284 ( 0.267 0.698 -1.363) 1.555 18.849 ( 0.422 -1.783 0.941) 2.060 18.849 ( 0.422 1.783 0.941) 2.060 19.063 ( -0.243 -1.079 -0.517) 1.220 19.063 ( -0.243 1.079 -0.517) 1.220 21.382 ( 0.115 -0.087 -0.018) 0.146 21.382 ( 0.115 0.087 -0.018) 0.146 21.489 ( -0.065 -0.169 -0.045) 0.187 21.489 ( -0.065 0.169 -0.045) 0.187 21.812 ( 0.012 -0.058 -0.091) 0.108 21.812 ( 0.012 0.058 -0.091) 0.108 21.876 ( -0.006 -0.287 0.487) 0.565 21.876 ( -0.006 0.287 0.487) 0.565 26.829 ( -0.141 -1.068 0.369) 1.138 26.829 ( -0.141 1.068 0.369) 1.138 26.887 ( 0.100 -0.973 -0.172) 0.993 26.887 ( 0.100 0.973 -0.172) 0.993 27.224 ( -0.062 -0.140 0.096) 0.181 27.224 ( -0.062 0.140 0.096) 0.181 27.320 ( 0.043 -0.215 -0.040) 0.223 27.320 ( 0.043 0.215 -0.040) 0.223 35.610 ( -2.950 -5.007 3.728) 6.905 35.610 ( -2.950 5.007 3.728) 6.905 35.696 ( 3.709 -5.137 -4.532) 7.790 35.696 ( 3.709 5.137 -4.532) 7.790 36.622 ( 0.022 -3.869 2.640) 4.684 36.622 ( 0.022 3.869 2.640) 4.684 37.046 ( -0.645 -4.921 0.066) 4.963 37.046 ( -0.645 4.921 0.066) 4.963 38.290 ( -3.060 -0.207 0.154) 3.071 38.290 ( -3.060 0.207 0.154) 3.071 38.538 ( 7.489 -0.954 0.325) 7.557 38.538 ( 7.489 0.954 0.325) 7.557 38.603 ( -3.589 -1.065 -0.793) 3.826 38.603 ( -3.589 1.065 -0.793) 3.826 39.917 ( -1.105 -2.367 -3.881) 4.678 39.917 ( -1.105 2.367 -3.881) 4.678 ======================= Grid point 155 (85/92) ======================= q-point: ( 0.11 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 12.884 -5.854 3.119) 14.491 1.737 ( 12.884 5.854 3.119) 14.491 1.943 ( 1.903 -2.301 -7.913) 8.458 1.943 ( 1.903 2.301 -7.913) 8.458 2.077 ( 5.432 -4.632 -12.315) 14.234 2.077 ( 5.432 4.632 -12.315) 14.234 2.127 ( 5.689 -13.689 11.433) 18.720 2.127 ( 5.689 13.689 11.433) 18.720 2.558 ( -2.270 -3.602 -2.204) 4.795 2.558 ( -2.270 3.602 -2.204) 4.795 2.658 ( 0.143 -6.140 4.728) 7.751 2.658 ( 0.143 6.140 4.728) 7.751 2.890 ( 8.345 -0.941 5.161) 9.857 2.890 ( 8.345 0.941 5.161) 9.857 3.061 ( 6.434 -3.283 1.022) 7.295 3.061 ( 6.434 3.283 1.022) 7.295 3.167 ( -1.819 -4.974 -1.966) 5.649 3.167 ( -1.819 4.974 -1.966) 5.649 3.402 ( 5.004 -3.458 2.083) 6.430 3.402 ( 5.004 3.458 2.083) 6.430 3.681 ( -0.446 -8.986 -2.010) 9.218 3.681 ( -0.446 8.986 -2.010) 9.218 3.782 ( 1.696 -4.552 1.246) 5.015 3.782 ( 1.696 4.552 1.246) 5.015 4.076 ( -0.011 -1.030 -2.636) 2.831 4.076 ( -0.011 1.030 -2.636) 2.831 4.208 ( 1.432 -0.388 -0.411) 1.539 4.208 ( 1.432 0.388 -0.411) 1.539 4.351 ( -2.645 -4.938 2.708) 6.222 4.351 ( -2.645 4.938 2.708) 6.222 4.545 ( -1.741 -5.401 -1.018) 5.765 4.545 ( -1.741 5.401 -1.018) 5.765 4.634 ( 1.094 -1.683 0.489) 2.067 4.634 ( 1.094 1.683 0.489) 2.067 4.759 ( 1.777 -2.787 0.957) 3.441 4.759 ( 1.777 2.787 0.957) 3.441 4.983 ( 1.461 -5.758 -4.149) 7.246 4.983 ( 1.461 5.758 -4.149) 7.246 5.098 ( 2.802 -2.384 -0.558) 3.721 5.098 ( 2.802 2.384 -0.558) 3.721 5.313 ( -0.044 -3.534 -1.840) 3.984 5.313 ( -0.044 3.534 -1.840) 3.984 5.399 ( 0.652 -1.247 2.874) 3.200 5.399 ( 0.652 1.247 2.874) 3.200 5.595 ( -0.490 -2.772 1.759) 3.319 5.595 ( -0.490 2.772 1.759) 3.319 5.703 ( 1.618 -7.289 -0.532) 7.485 5.703 ( 1.618 7.289 -0.532) 7.485 5.875 ( -2.895 -6.056 2.347) 7.111 5.875 ( -2.895 6.056 2.347) 7.111 6.081 ( 4.645 -2.803 0.007) 5.426 6.081 ( 4.645 2.803 0.007) 5.426 6.252 ( -3.592 -2.851 -2.756) 5.351 6.252 ( -3.592 2.851 -2.756) 5.351 6.350 ( -2.223 -2.467 -1.178) 3.523 6.350 ( -2.223 2.467 -1.178) 3.523 6.511 ( -3.656 -4.957 2.355) 6.594 6.511 ( -3.656 4.957 2.355) 6.594 6.639 ( 3.883 -3.989 -3.447) 6.548 6.639 ( 3.883 3.989 -3.447) 6.548 6.854 ( -0.275 -0.388 -2.851) 2.891 6.854 ( -0.275 0.388 -2.851) 2.891 6.896 ( 0.692 -2.482 -1.053) 2.783 6.896 ( 0.692 2.482 -1.053) 2.783 7.114 ( -2.629 -3.273 4.511) 6.162 7.114 ( -2.629 3.273 4.511) 6.162 7.254 ( 6.534 -2.585 5.510) 8.929 7.254 ( 6.534 2.585 5.510) 8.929 7.417 ( -0.191 -7.073 -7.699) 10.456 7.417 ( -0.191 7.073 -7.699) 10.456 7.516 ( 0.355 -2.462 2.965) 3.870 7.516 ( 0.355 2.462 2.965) 3.870 7.791 ( -1.387 -1.415 -1.640) 2.572 7.791 ( -1.387 1.415 -1.640) 2.572 8.088 ( 2.555 -1.216 -1.254) 3.095 8.088 ( 2.555 1.216 -1.254) 3.095 8.150 ( 3.852 -2.735 1.008) 4.831 8.150 ( 3.852 2.735 1.008) 4.831 8.244 ( 1.079 -2.630 1.868) 3.401 8.244 ( 1.079 2.630 1.868) 3.401 8.604 ( 0.351 -2.937 0.353) 2.979 8.604 ( 0.351 2.937 0.353) 2.979 8.814 ( -2.564 -3.019 -1.265) 4.158 8.814 ( -2.564 3.019 -1.265) 4.158 9.001 ( 2.892 -4.085 0.725) 5.057 9.001 ( 2.892 4.085 0.725) 5.057 9.139 ( 1.004 -7.435 1.078) 7.579 9.139 ( 1.004 7.435 1.078) 7.579 9.401 ( 0.634 -4.085 7.375) 8.455 9.401 ( 0.634 4.085 7.375) 8.455 9.574 ( 8.733 -5.719 -10.754) 14.988 9.574 ( 8.733 5.719 -10.754) 14.988 9.930 ( -1.149 -2.852 3.517) 4.672 9.930 ( -1.149 2.852 3.517) 4.672 10.318 ( 5.149 -2.561 -0.722) 5.796 10.318 ( 5.149 2.561 -0.722) 5.796 16.521 ( 1.731 -0.450 0.088) 1.790 16.521 ( 1.731 0.450 0.088) 1.790 16.871 ( -0.642 -0.464 -0.206) 0.818 16.871 ( -0.642 0.464 -0.206) 0.818 17.478 ( 0.256 -1.250 -0.208) 1.293 17.478 ( 0.256 1.250 -0.208) 1.293 17.598 ( -0.740 -1.675 0.348) 1.864 17.598 ( -0.740 1.675 0.348) 1.864 18.147 ( -2.255 -0.270 0.894) 2.441 18.147 ( -2.255 0.270 0.894) 2.441 18.258 ( -2.198 -0.672 -0.337) 2.323 18.258 ( -2.198 0.672 -0.337) 2.323 18.791 ( -6.874 -0.158 -0.855) 6.929 18.791 ( -6.874 0.158 -0.855) 6.929 18.998 ( -7.006 -0.528 0.490) 7.043 18.998 ( -7.006 0.528 0.490) 7.043 21.385 ( 0.459 -0.221 -0.173) 0.538 21.385 ( 0.459 0.221 -0.173) 0.538 21.487 ( -0.215 -0.197 0.103) 0.309 21.487 ( -0.215 0.197 0.103) 0.309 21.813 ( 0.214 -0.167 -0.014) 0.271 21.813 ( 0.214 0.167 -0.014) 0.271 21.876 ( -0.277 -0.164 -0.028) 0.323 21.876 ( -0.277 0.164 -0.028) 0.323 26.831 ( -0.025 -0.579 0.216) 0.619 26.831 ( -0.025 0.579 0.216) 0.619 26.883 ( -0.376 -0.634 -0.176) 0.758 26.883 ( -0.376 0.634 -0.176) 0.758 27.238 ( 1.520 -0.087 0.076) 1.524 27.238 ( 1.520 0.087 0.076) 1.524 27.326 ( 0.774 -0.212 -0.054) 0.804 27.326 ( 0.774 0.212 -0.054) 0.804 35.520 ( -9.004 -5.458 1.571) 10.645 35.520 ( -9.004 5.458 1.571) 10.645 35.730 ( 3.524 -5.256 -2.819) 6.927 35.730 ( 3.524 5.256 -2.819) 6.927 36.611 ( -2.532 -3.647 0.015) 4.440 36.611 ( -2.532 3.647 0.015) 4.440 37.025 ( -2.786 -8.332 0.940) 8.835 37.025 ( -2.786 8.332 0.940) 8.835 38.250 ( -3.298 -3.757 2.981) 5.821 38.250 ( -3.298 3.757 2.981) 5.821 38.440 ( -3.628 -2.677 -2.858) 5.338 38.440 ( -3.628 2.677 -2.858) 5.338 38.864 ( 21.055 -1.909 -1.712) 21.210 38.864 ( 21.055 1.909 -1.712) 21.210 39.959 ( 6.680 -6.374 2.282) 9.511 39.959 ( 6.680 6.374 2.282) 9.511 ======================= Grid point 157 (86/92) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -3.423 -4.974 -10.801) 12.374 1.729 ( -3.423 4.974 -10.801) 12.374 1.920 ( 3.720 -2.739 -0.577) 4.656 1.920 ( 3.720 2.739 -0.577) 4.656 2.222 ( 9.097 -3.517 4.832) 10.885 2.222 ( 9.097 3.517 4.832) 10.885 2.328 ( 3.553 -4.404 2.513) 6.191 2.328 ( 3.553 4.404 2.513) 6.191 2.578 ( 7.235 -2.053 3.356) 8.236 2.578 ( 7.235 2.053 3.356) 8.236 2.729 ( 4.281 -2.923 3.025) 6.002 2.729 ( 4.281 2.923 3.025) 6.002 2.973 ( -2.907 -4.256 -5.281) 7.380 2.973 ( -2.907 4.256 -5.281) 7.380 3.213 ( 3.229 -2.022 7.865) 8.739 3.213 ( 3.229 2.022 7.865) 8.739 3.257 ( 11.816 -3.485 3.938) 12.934 3.257 ( 11.816 3.485 3.938) 12.934 3.491 ( 4.063 -5.112 0.746) 6.572 3.491 ( 4.063 5.112 0.746) 6.572 3.678 ( 2.204 -5.682 -1.497) 6.276 3.678 ( 2.204 5.682 -1.497) 6.276 3.834 ( 4.316 -6.464 0.641) 7.799 3.834 ( 4.316 6.464 0.641) 7.799 4.023 ( -1.074 -2.495 -4.374) 5.148 4.023 ( -1.074 2.495 -4.374) 5.148 4.217 ( 0.470 -4.129 1.156) 4.313 4.217 ( 0.470 4.129 1.156) 4.313 4.394 ( 0.108 -3.296 1.533) 3.637 4.394 ( 0.108 3.296 1.533) 3.637 4.498 ( 0.748 -12.210 0.434) 12.241 4.498 ( 0.748 12.210 0.434) 12.241 4.657 ( -1.792 -0.972 3.057) 3.675 4.657 ( -1.792 0.972 3.057) 3.675 4.818 ( 2.831 -2.453 2.191) 4.340 4.818 ( 2.831 2.453 2.191) 4.340 4.940 ( 0.987 -3.379 -7.087) 7.913 4.940 ( 0.987 3.379 -7.087) 7.913 5.156 ( 4.371 -3.571 -0.359) 5.656 5.156 ( 4.371 3.571 -0.359) 5.656 5.285 ( 2.970 -6.948 -5.982) 9.638 5.285 ( 2.970 6.948 -5.982) 9.638 5.459 ( 2.044 -1.877 3.407) 4.394 5.459 ( 2.044 1.877 3.407) 4.394 5.604 ( -2.999 -3.640 2.713) 5.441 5.604 ( -2.999 3.640 2.713) 5.441 5.676 ( -2.947 -5.473 0.185) 6.219 5.676 ( -2.947 5.473 0.185) 6.219 5.916 ( 3.087 -4.436 2.181) 5.828 5.916 ( 3.087 4.436 2.181) 5.828 6.123 ( 2.742 -3.515 -4.172) 6.106 6.123 ( 2.742 3.515 -4.172) 6.106 6.183 ( 0.267 -7.254 -1.335) 7.381 6.183 ( 0.267 7.254 -1.335) 7.381 6.320 ( -0.279 -2.841 0.295) 2.870 6.320 ( -0.279 2.841 0.295) 2.870 6.475 ( -4.340 -5.749 3.508) 8.012 6.475 ( -4.340 5.749 3.508) 8.012 6.605 ( -0.195 -6.153 -6.373) 8.861 6.605 ( -0.195 6.153 -6.373) 8.861 6.809 ( 0.212 -1.508 -3.402) 3.727 6.809 ( 0.212 1.508 -3.402) 3.727 6.972 ( 6.315 -1.872 0.406) 6.599 6.972 ( 6.315 1.872 0.406) 6.599 7.111 ( -3.342 -2.383 2.330) 4.720 7.111 ( -3.342 2.383 2.330) 4.720 7.286 ( -1.950 -5.303 -4.432) 7.181 7.286 ( -1.950 5.303 -4.432) 7.181 7.434 ( -1.239 -2.174 1.446) 2.890 7.434 ( -1.239 2.174 1.446) 2.890 7.529 ( 3.423 -4.489 4.291) 7.091 7.529 ( 3.423 4.489 4.291) 7.091 7.809 ( 4.101 -4.982 -0.219) 6.457 7.809 ( 4.101 4.982 -0.219) 6.457 8.119 ( 3.994 -3.239 -3.657) 6.310 8.119 ( 3.994 3.239 -3.657) 6.310 8.204 ( 1.203 -3.565 0.925) 3.875 8.204 ( 1.203 3.565 0.925) 3.875 8.318 ( 3.518 -2.985 4.638) 6.541 8.318 ( 3.518 2.985 4.638) 6.541 8.634 ( 1.287 -4.583 1.696) 5.053 8.634 ( 1.287 4.583 1.696) 5.053 8.750 ( -1.568 -6.048 -2.867) 6.875 8.750 ( -1.568 6.048 -2.867) 6.875 9.057 ( 3.289 -2.585 -0.950) 4.290 9.057 ( 3.289 2.585 -0.950) 4.290 9.161 ( -0.237 -7.254 1.771) 7.471 9.161 ( -0.237 7.254 1.771) 7.471 9.498 ( 2.942 -0.814 4.252) 5.234 9.498 ( 2.942 0.814 4.252) 5.234 9.625 ( 8.606 -4.785 -7.303) 12.259 9.625 ( 8.606 4.785 -7.303) 12.259 9.922 ( 1.542 -3.055 -3.443) 4.854 9.922 ( 1.542 3.055 -3.443) 4.854 10.445 ( 4.192 -5.895 5.741) 9.235 10.445 ( 4.192 5.895 5.741) 9.235 16.563 ( 2.835 -0.734 0.224) 2.937 16.563 ( 2.835 0.734 0.224) 2.937 16.852 ( -1.385 -0.459 -0.126) 1.464 16.852 ( -1.385 0.459 -0.126) 1.464 17.478 ( 0.480 -3.965 -0.688) 4.053 17.478 ( 0.480 3.965 -0.688) 4.053 17.594 ( -1.637 -4.910 2.190) 5.620 17.594 ( -1.637 4.910 2.190) 5.620 18.098 ( -3.398 -1.248 -0.619) 3.672 18.098 ( -3.398 1.248 -0.619) 3.672 18.201 ( -4.513 -0.308 0.114) 4.525 18.201 ( -4.513 0.308 0.114) 4.525 18.638 ( -8.193 -1.590 -1.786) 8.535 18.638 ( -8.193 1.590 -1.786) 8.535 18.862 ( -9.467 -1.496 1.277) 9.669 18.862 ( -9.467 1.496 1.277) 9.669 21.395 ( 0.865 -0.457 -0.003) 0.979 21.395 ( 0.865 0.457 -0.003) 0.979 21.482 ( -0.533 -0.461 0.119) 0.715 21.482 ( -0.533 0.461 0.119) 0.715 21.819 ( 0.374 -0.226 0.028) 0.437 21.819 ( 0.374 0.226 0.028) 0.437 21.868 ( -0.419 -0.190 -0.391) 0.604 21.868 ( -0.419 0.190 -0.391) 0.604 26.834 ( 0.239 -1.097 0.018) 1.122 26.834 ( 0.239 1.097 0.018) 1.122 26.873 ( -0.571 -1.059 -0.149) 1.212 26.873 ( -0.571 1.059 -0.149) 1.212 27.271 ( 2.107 -0.158 0.003) 2.113 27.271 ( 2.107 0.158 0.003) 2.113 27.344 ( 1.240 -0.438 0.085) 1.318 27.344 ( 1.240 0.438 0.085) 1.318 35.377 ( -8.906 -4.312 0.894) 9.936 35.377 ( -8.906 4.312 0.894) 9.936 35.746 ( 1.948 -5.708 -2.522) 6.537 35.746 ( 1.948 5.708 -2.522) 6.537 36.564 ( -1.753 -6.376 -1.082) 6.701 36.564 ( -1.753 6.376 -1.082) 6.701 36.963 ( -5.695 -12.823 0.981) 14.065 36.963 ( -5.695 12.823 0.981) 14.065 38.237 ( -1.275 -3.737 1.274) 4.149 38.237 ( -1.275 3.737 1.274) 4.149 38.382 ( -1.185 -3.624 -1.236) 4.008 38.382 ( -1.185 3.624 -1.236) 4.008 39.212 ( 22.276 -3.531 -1.726) 22.620 39.212 ( 22.276 3.531 -1.726) 22.620 40.144 ( 8.401 -11.954 5.467) 15.601 40.144 ( 8.401 11.954 5.467) 15.601 ======================= Grid point 159 (87/92) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -1.340 -3.400 -1.891) 4.115 1.612 ( -1.340 3.400 -1.891) 4.115 1.988 ( 3.566 -6.390 2.373) 7.693 1.988 ( 3.566 6.390 2.373) 7.693 2.325 ( -1.615 -3.289 2.527) 4.451 2.325 ( -1.615 3.289 2.527) 4.451 2.425 ( 7.963 -5.535 0.507) 9.711 2.425 ( 7.963 5.535 0.507) 9.711 2.686 ( -0.302 -7.596 0.938) 7.659 2.686 ( -0.302 7.596 0.938) 7.659 2.805 ( -1.518 -6.249 -2.204) 6.798 2.805 ( -1.518 6.249 -2.204) 6.798 2.962 ( 10.493 -6.829 1.809) 12.649 2.962 ( 10.493 6.829 1.809) 12.649 3.258 ( -2.994 -2.710 1.997) 4.505 3.258 ( -2.994 2.710 1.997) 4.505 3.383 ( -3.633 -3.466 3.556) 6.152 3.383 ( -3.633 3.466 3.556) 6.152 3.570 ( 3.907 -5.627 -0.624) 6.879 3.570 ( 3.907 5.627 -0.624) 6.879 3.750 ( 3.011 -4.995 5.021) 7.696 3.750 ( 3.011 4.995 5.021) 7.696 3.949 ( 7.523 -3.320 -4.742) 9.492 3.949 ( 7.523 3.320 -4.742) 9.492 3.986 ( 3.625 -1.048 1.682) 4.132 3.986 ( 3.625 1.048 1.682) 4.132 4.252 ( 1.996 -4.937 0.852) 5.393 4.252 ( 1.996 4.937 0.852) 5.393 4.342 ( -3.555 -1.008 -2.217) 4.309 4.342 ( -3.555 1.008 -2.217) 4.309 4.557 ( 1.848 -5.288 0.428) 5.618 4.557 ( 1.848 5.288 0.428) 5.618 4.662 ( -0.245 -1.003 2.380) 2.594 4.662 ( -0.245 1.003 2.380) 2.594 4.862 ( -1.950 -4.427 -1.205) 4.986 4.862 ( -1.950 4.427 -1.205) 4.986 4.905 ( 3.909 -2.931 -0.749) 4.943 4.905 ( 3.909 2.931 -0.749) 4.943 5.179 ( 0.024 -7.713 -0.891) 7.765 5.179 ( 0.024 7.713 -0.891) 7.765 5.333 ( 4.794 -6.727 -5.173) 9.746 5.333 ( 4.794 6.727 -5.173) 9.746 5.515 ( 5.224 -2.472 -3.518) 6.766 5.515 ( 5.224 2.472 -3.518) 6.766 5.569 ( 0.514 -3.467 2.610) 4.370 5.569 ( 0.514 3.467 2.610) 4.370 5.675 ( -0.994 -1.412 5.964) 6.209 5.675 ( -0.994 1.412 5.964) 6.209 5.968 ( 0.327 -3.703 -1.924) 4.185 5.968 ( 0.327 3.703 -1.924) 4.185 6.132 ( -0.244 -2.741 -0.104) 2.753 6.132 ( -0.244 2.741 -0.104) 2.753 6.199 ( 3.372 -4.916 1.483) 6.143 6.199 ( 3.372 4.916 1.483) 6.143 6.331 ( 0.893 -4.438 -0.802) 4.598 6.331 ( 0.893 4.438 -0.802) 4.598 6.447 ( -1.708 -5.133 0.815) 5.471 6.447 ( -1.708 5.133 0.815) 5.471 6.548 ( 0.294 -5.199 -3.174) 6.098 6.548 ( 0.294 5.199 -3.174) 6.098 6.796 ( 0.604 -2.645 -1.142) 2.944 6.796 ( 0.604 2.645 -1.142) 2.944 7.034 ( -2.435 -1.540 0.325) 2.899 7.034 ( -2.435 1.540 0.325) 2.899 7.071 ( 3.055 -2.251 -3.456) 5.133 7.071 ( 3.055 2.251 -3.456) 5.133 7.214 ( -2.151 -5.673 -3.686) 7.099 7.214 ( -2.151 5.673 -3.686) 7.099 7.371 ( -1.940 -1.807 -0.389) 2.679 7.371 ( -1.940 1.807 -0.389) 2.679 7.703 ( 3.822 -4.776 10.157) 11.856 7.703 ( 3.822 4.776 10.157) 11.856 7.871 ( 4.554 -7.677 -1.815) 9.109 7.871 ( 4.554 7.677 -1.815) 9.109 8.138 ( 0.562 -2.877 -0.370) 2.955 8.138 ( 0.562 2.877 -0.370) 2.955 8.234 ( 3.171 -5.800 -1.189) 6.716 8.234 ( 3.171 5.800 -1.189) 6.716 8.420 ( 2.370 -2.422 3.043) 4.554 8.420 ( 2.370 2.422 3.043) 4.554 8.663 ( 1.711 -4.520 -0.970) 4.929 8.663 ( 1.711 4.520 -0.970) 4.929 8.709 ( -0.577 -8.114 -2.269) 8.445 8.709 ( -0.577 8.114 -2.269) 8.445 9.089 ( 1.907 -4.256 -0.654) 4.709 9.089 ( 1.907 4.256 -0.654) 4.709 9.170 ( -0.499 -6.430 1.231) 6.565 9.170 ( -0.499 6.430 1.231) 6.565 9.579 ( 1.080 -3.285 4.129) 5.386 9.579 ( 1.080 3.285 4.129) 5.386 9.696 ( 7.339 -2.803 -4.979) 9.301 9.696 ( 7.339 2.803 -4.979) 9.301 9.941 ( 5.486 -2.682 -3.389) 6.984 9.941 ( 5.486 2.682 -3.389) 6.984 10.521 ( -1.860 -5.921 3.711) 7.231 10.521 ( -1.860 5.921 3.711) 7.231 16.617 ( 3.282 -0.796 0.035) 3.378 16.617 ( 3.282 0.796 0.035) 3.378 16.822 ( -2.212 -0.352 0.118) 2.243 16.822 ( -2.212 0.352 0.118) 2.243 17.483 ( 0.716 -4.952 -0.375) 5.018 17.483 ( 0.716 4.952 -0.375) 5.018 17.584 ( -2.273 -6.125 2.075) 6.855 17.584 ( -2.273 6.125 2.075) 6.855 18.031 ( -3.270 -1.448 -1.005) 3.715 18.031 ( -3.270 1.448 -1.005) 3.715 18.113 ( -5.097 -0.171 -0.661) 5.143 18.113 ( -5.097 0.171 -0.661) 5.143 18.515 ( -4.368 -1.433 -0.845) 4.674 18.515 ( -4.368 1.433 -0.845) 4.674 18.731 ( -7.272 -1.381 1.393) 7.532 18.731 ( -7.272 1.381 1.393) 7.532 21.414 ( 1.121 -0.934 0.280) 1.486 21.414 ( 1.121 0.934 0.280) 1.486 21.471 ( -0.822 -0.710 0.077) 1.089 21.471 ( -0.822 0.710 0.077) 1.089 21.826 ( 0.406 -0.159 0.006) 0.436 21.826 ( 0.406 0.159 0.006) 0.436 21.856 ( -0.403 -0.210 -0.454) 0.642 21.856 ( -0.403 0.210 -0.454) 0.642 26.838 ( 0.382 -2.137 -0.230) 2.183 26.838 ( 0.382 2.137 -0.230) 2.183 26.863 ( -0.457 -2.082 0.056) 2.132 26.863 ( -0.457 2.082 0.056) 2.132 27.306 ( 1.858 -0.157 0.222) 1.878 27.306 ( 1.858 0.157 0.222) 1.878 27.365 ( 1.025 -0.529 0.046) 1.154 27.365 ( 1.025 0.529 0.046) 1.154 35.259 ( -5.932 -3.615 0.967) 7.014 35.259 ( -5.932 3.615 0.967) 7.014 35.746 ( 1.349 -5.182 -2.555) 5.934 35.746 ( 1.349 5.182 -2.555) 5.934 36.538 ( -0.248 -8.468 -0.698) 8.501 36.538 ( -0.248 8.468 -0.698) 8.501 36.869 ( -5.938 -12.878 0.464) 14.189 36.869 ( -5.938 12.878 0.464) 14.189 38.235 ( 0.851 -3.076 -0.653) 3.257 38.235 ( 0.851 3.076 -0.653) 3.257 38.351 ( -2.016 -6.395 -0.405) 6.718 38.351 ( -2.016 6.395 -0.405) 6.718 39.568 ( 19.585 -5.593 1.809) 20.448 39.568 ( 19.585 5.593 1.809) 20.448 40.295 ( 2.886 -13.303 2.878) 13.913 40.295 ( 2.886 13.303 2.878) 13.913 ======================= Grid point 161 (88/92) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 2.590 -5.174 2.276) 6.218 1.636 ( 2.590 5.174 2.276) 6.218 2.075 ( 0.552 -8.763 4.946) 10.078 2.075 ( 0.552 8.763 4.946) 10.078 2.311 ( 0.325 -2.388 -0.483) 2.458 2.311 ( 0.325 2.388 -0.483) 2.458 2.498 ( -0.075 -4.427 -1.965) 4.844 2.498 ( -0.075 4.427 -1.965) 4.844 2.626 ( -1.713 -3.982 -1.231) 4.506 2.626 ( -1.713 3.982 -1.231) 4.506 2.850 ( 5.735 -11.547 1.028) 12.934 2.850 ( 5.735 11.547 1.028) 12.934 3.078 ( -1.411 -5.991 -0.507) 6.176 3.078 ( -1.411 5.991 -0.507) 6.176 3.263 ( 1.761 -2.519 -0.026) 3.074 3.263 ( 1.761 2.519 -0.026) 3.074 3.309 ( -3.820 -1.481 4.807) 6.316 3.309 ( -3.820 1.482 4.807) 6.316 3.558 ( -2.720 -2.066 -2.860) 4.455 3.558 ( -2.720 2.066 -2.860) 4.455 3.826 ( 0.199 -4.492 4.771) 6.556 3.826 ( 0.199 4.492 4.771) 6.556 3.987 ( 2.534 -5.272 0.123) 5.851 3.987 ( 2.534 5.272 0.123) 5.851 4.139 ( 8.594 -5.525 -1.936) 10.399 4.139 ( 8.594 5.525 -1.936) 10.399 4.231 ( -4.985 -2.570 -1.581) 5.827 4.231 ( -4.985 2.570 -1.581) 5.827 4.315 ( 1.747 -2.435 2.225) 3.732 4.315 ( 1.747 2.435 2.225) 3.732 4.546 ( -1.222 -5.404 -2.046) 5.906 4.546 ( -1.222 5.404 -2.046) 5.906 4.699 ( 1.240 -2.891 1.830) 3.640 4.699 ( 1.240 2.891 1.830) 3.640 4.800 ( -0.627 -2.663 -4.017) 4.860 4.800 ( -0.627 2.663 -4.017) 4.860 4.969 ( -0.008 -1.169 3.602) 3.787 4.969 ( -0.008 1.169 3.602) 3.787 5.195 ( 0.906 -5.486 -0.747) 5.611 5.195 ( 0.906 5.486 -0.747) 5.611 5.277 ( 0.267 -2.038 -2.534) 3.263 5.277 ( 0.267 2.038 -2.534) 3.263 5.592 ( 1.391 -1.672 1.573) 2.685 5.592 ( 1.391 1.672 1.573) 2.685 5.647 ( 3.617 -2.900 0.603) 4.675 5.647 ( 3.617 2.900 0.603) 4.675 5.750 ( 2.736 -4.777 0.785) 5.561 5.750 ( 2.736 4.777 0.785) 5.561 5.867 ( -3.374 -3.833 -3.580) 6.236 5.867 ( -3.374 3.833 -3.580) 6.236 6.146 ( -1.347 -3.413 2.626) 4.512 6.146 ( -1.347 3.413 2.626) 4.512 6.260 ( 0.051 -2.473 2.420) 3.461 6.260 ( 0.051 2.473 2.420) 3.461 6.347 ( 4.289 -4.297 -3.755) 7.139 6.347 ( 4.289 4.297 -3.755) 7.139 6.441 ( -0.647 -3.454 1.169) 3.704 6.441 ( -0.647 3.454 1.169) 3.704 6.535 ( 1.392 -4.170 -2.014) 4.835 6.535 ( 1.392 4.170 -2.014) 4.835 6.800 ( 0.222 -3.750 2.003) 4.257 6.800 ( 0.222 3.750 2.003) 4.258 7.013 ( -0.504 -0.666 -1.072) 1.359 7.013 ( -0.504 0.666 -1.072) 1.359 7.044 ( -1.134 -3.895 -2.661) 4.851 7.044 ( -1.134 3.895 -2.661) 4.851 7.151 ( 0.332 -6.554 -5.013) 8.258 7.151 ( 0.332 6.554 -5.013) 8.258 7.360 ( -1.288 -1.021 1.879) 2.496 7.360 ( -1.288 1.021 1.879) 2.496 7.820 ( -0.479 -4.248 5.093) 6.650 7.820 ( -0.479 4.248 5.093) 6.650 7.954 ( 4.919 -8.060 2.861) 9.866 7.954 ( 4.919 8.060 2.861) 9.866 8.139 ( -0.124 -3.089 0.662) 3.162 8.139 ( -0.124 3.089 0.662) 3.162 8.269 ( 1.920 -6.144 -1.909) 6.714 8.269 ( 1.920 6.144 -1.909) 6.714 8.446 ( -0.940 -1.468 -0.091) 1.745 8.446 ( -0.940 1.468 -0.091) 1.745 8.646 ( -3.265 -3.691 0.119) 4.929 8.646 ( -3.265 3.691 0.119) 4.929 8.696 ( 4.092 -5.831 -5.146) 8.788 8.696 ( 4.092 5.831 -5.146) 8.788 9.113 ( -0.517 -6.763 2.637) 7.277 9.113 ( -0.517 6.763 2.637) 7.277 9.174 ( 0.764 -6.102 -0.651) 6.184 9.174 ( 0.764 6.102 -0.651) 6.184 9.621 ( -2.207 -3.346 5.662) 6.937 9.621 ( -2.207 3.346 5.662) 6.937 9.749 ( 4.539 -2.507 -4.490) 6.859 9.749 ( 4.539 2.507 -4.490) 6.859 10.018 ( 5.939 -1.528 -2.649) 6.681 10.018 ( 5.939 1.528 -2.649) 6.681 10.481 ( -4.253 -2.846 1.342) 5.291 10.481 ( -4.253 2.846 1.342) 5.291 16.669 ( 2.423 -0.532 0.066) 2.481 16.669 ( 2.423 0.532 0.066) 2.481 16.783 ( -2.057 -0.192 -0.031) 2.066 16.783 ( -2.057 0.192 -0.031) 2.066 17.492 ( 0.525 -3.153 -0.094) 3.198 17.492 ( 0.525 3.153 -0.094) 3.198 17.571 ( -1.055 -3.529 1.245) 3.888 17.571 ( -1.055 3.529 1.245) 3.888 17.976 ( -1.943 -0.537 -0.663) 2.122 17.976 ( -1.943 0.537 -0.663) 2.122 18.041 ( -2.072 -0.340 -0.640) 2.195 18.041 ( -2.072 0.340 -0.640) 2.195 18.468 ( -0.812 -0.427 -0.340) 0.978 18.468 ( -0.812 0.427 -0.340) 0.978 18.659 ( -2.707 -0.471 1.117) 2.966 18.659 ( -2.707 0.471 1.117) 2.966 21.436 ( 1.020 -1.104 0.274) 1.528 21.436 ( 1.020 1.104 0.274) 1.528 21.458 ( -0.875 -0.970 0.077) 1.308 21.458 ( -0.875 0.970 0.077) 1.308 21.832 ( 0.303 -0.086 -0.046) 0.319 21.832 ( 0.303 0.086 -0.046) 0.319 21.846 ( -0.300 -0.122 -0.298) 0.440 21.846 ( -0.300 0.122 -0.298) 0.440 26.840 ( 0.037 -1.368 -0.237) 1.389 26.840 ( 0.037 1.368 -0.237) 1.389 26.860 ( -0.002 -1.321 0.129) 1.327 26.860 ( -0.002 1.321 0.129) 1.327 27.336 ( 1.070 -0.149 0.604) 1.238 27.336 ( 1.070 0.149 0.604) 1.238 27.373 ( 0.068 -0.470 -0.305) 0.565 27.373 ( 0.068 0.470 -0.305) 0.565 35.202 ( -2.110 -2.773 0.964) 3.615 35.202 ( -2.110 2.773 0.964) 3.615 35.740 ( 1.119 -3.623 -2.403) 4.489 35.740 ( 1.119 3.623 -2.403) 4.489 36.534 ( -0.573 -6.500 0.509) 6.545 36.534 ( -0.573 6.500 0.509) 6.545 36.795 ( -2.305 -7.867 -0.291) 8.203 36.795 ( -2.305 7.867 -0.291) 8.203 38.255 ( 2.361 -5.817 -0.742) 6.322 38.255 ( 2.361 5.817 -0.742) 6.322 38.302 ( -2.946 -8.410 -0.460) 8.923 38.302 ( -2.946 8.410 -0.460) 8.923 39.884 ( 12.354 -6.690 4.784) 14.842 39.884 ( 12.354 6.690 4.784) 14.842 40.287 ( -4.201 -9.980 -1.398) 10.918 40.287 ( -4.201 9.980 -1.398) 10.918 ======================= Grid point 163 (89/92) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.313 -2.360 -1.293) 2.710 1.675 ( -0.313 2.360 -1.293) 2.710 2.089 ( -2.967 -7.273 3.375) 8.549 2.089 ( -2.967 7.273 3.375) 8.549 2.337 ( 0.539 -0.282 -2.041) 2.129 2.337 ( 0.539 0.282 -2.041) 2.129 2.457 ( 0.683 -3.483 1.223) 3.754 2.457 ( 0.683 3.483 1.223) 3.754 2.622 ( 1.078 -1.648 -0.131) 1.973 2.622 ( 1.078 1.648 -0.131) 1.973 2.888 ( -3.761 -8.114 -2.870) 9.393 2.888 ( -3.761 8.114 -2.870) 9.393 3.045 ( 1.760 -4.616 1.553) 5.178 3.045 ( 1.760 4.616 1.553) 5.178 3.230 ( -3.119 -4.674 3.380) 6.557 3.230 ( -3.119 4.674 3.380) 6.557 3.394 ( 2.731 -1.178 -2.140) 3.664 3.394 ( 2.731 1.178 -2.140) 3.664 3.500 ( 0.585 -1.097 2.040) 2.389 3.500 ( 0.585 1.097 2.040) 2.389 3.857 ( -2.541 -3.375 3.056) 5.214 3.857 ( -2.541 3.375 3.056) 5.214 3.995 ( 0.548 -4.431 -2.972) 5.363 3.995 ( 0.548 4.431 -2.972) 5.363 4.126 ( -6.700 -5.132 0.544) 8.457 4.126 ( -6.700 5.132 0.544) 8.457 4.225 ( 4.359 -4.137 -1.365) 6.162 4.225 ( 4.359 4.137 -1.365) 6.162 4.353 ( -0.620 -2.756 0.279) 2.839 4.353 ( -0.620 2.756 0.280) 2.839 4.513 ( 0.103 -1.286 0.023) 1.290 4.513 ( 0.103 1.286 0.023) 1.290 4.692 ( -4.357 -5.822 1.322) 7.392 4.692 ( -4.357 5.822 1.322) 7.392 4.793 ( 4.340 -0.599 -3.388) 5.538 4.793 ( 4.340 0.599 -3.388) 5.538 5.007 ( 1.993 -1.579 2.032) 3.255 5.007 ( 1.993 1.579 2.032) 3.255 5.160 ( -3.179 -4.255 1.619) 5.553 5.160 ( -3.179 4.255 1.619) 5.553 5.285 ( -1.442 -0.315 -2.611) 2.999 5.285 ( -1.442 0.315 -2.611) 2.999 5.554 ( -8.323 -5.187 3.620) 10.454 5.554 ( -8.323 5.187 3.620) 10.454 5.679 ( 0.617 -3.277 -2.707) 4.295 5.679 ( 0.617 3.277 -2.707) 4.295 5.721 ( 0.433 -1.274 1.296) 1.868 5.721 ( 0.433 1.274 1.296) 1.868 5.889 ( 3.336 -0.520 -2.498) 4.200 5.889 ( 3.336 0.520 -2.498) 4.200 6.148 ( -1.202 -2.040 3.689) 4.383 6.148 ( -1.202 2.040 3.689) 4.383 6.281 ( 0.401 -2.983 0.789) 3.112 6.281 ( 0.401 2.983 0.789) 3.112 6.336 ( -0.208 -2.960 -4.881) 5.712 6.336 ( -0.208 2.960 -4.881) 5.712 6.412 ( -4.790 -1.097 2.916) 5.714 6.412 ( -4.790 1.097 2.916) 5.714 6.577 ( 6.234 -1.728 -4.707) 8.000 6.577 ( 6.234 1.728 -4.707) 8.000 6.846 ( 0.836 -1.348 0.612) 1.700 6.846 ( 0.836 1.348 0.612) 1.700 6.952 ( 0.101 -1.356 -0.689) 1.524 6.952 ( 0.101 1.356 -0.689) 1.524 7.049 ( -1.560 -5.565 1.809) 6.056 7.049 ( -1.560 5.565 1.809) 6.056 7.113 ( 1.829 -6.436 -3.678) 7.635 7.113 ( 1.829 6.436 -3.678) 7.635 7.352 ( -2.490 -0.657 2.706) 3.736 7.352 ( -2.490 0.657 2.706) 3.736 7.820 ( -2.711 -2.661 1.698) 4.161 7.820 ( -2.711 2.661 1.698) 4.161 8.052 ( 1.819 -0.761 -0.725) 2.101 8.052 ( 1.819 0.761 -0.725) 2.101 8.122 ( -2.906 -2.596 1.875) 4.324 8.122 ( -2.906 2.596 1.875) 4.324 8.252 ( -0.718 -2.004 -1.989) 2.913 8.252 ( -0.718 2.004 -1.989) 2.913 8.432 ( 0.025 -2.597 1.611) 3.056 8.432 ( 0.025 2.597 1.611) 3.056 8.603 ( -3.476 -6.208 1.993) 7.389 8.603 ( -3.476 6.208 1.993) 7.389 8.704 ( 3.636 -4.618 -5.175) 7.831 8.704 ( 3.636 4.618 -5.175) 7.831 9.114 ( -3.385 -7.255 3.266) 8.647 9.114 ( -3.385 7.255 3.266) 8.647 9.183 ( 1.691 -6.267 -1.718) 6.715 9.183 ( 1.691 6.267 -1.718) 6.715 9.623 ( -5.562 -3.852 6.370) 9.293 9.623 ( -5.562 3.852 6.370) 9.293 9.746 ( 0.797 -3.746 -4.465) 5.882 9.746 ( 0.797 3.746 -4.465) 5.882 10.018 ( -2.802 -0.918 -3.055) 4.245 10.018 ( -2.802 0.918 -3.055) 4.245 10.483 ( 3.496 -1.913 1.241) 4.174 10.483 ( 3.496 1.913 1.241) 4.174 16.668 ( -2.713 -0.695 0.186) 2.807 16.668 ( -2.713 0.695 0.186) 2.807 16.785 ( 2.519 -0.804 -0.245) 2.655 16.785 ( 2.519 0.804 -0.245) 2.655 17.492 ( -0.424 -1.831 -0.090) 1.882 17.492 ( -0.424 1.831 -0.090) 1.882 17.583 ( 1.657 -2.814 0.145) 3.270 17.583 ( 1.657 2.814 0.145) 3.270 17.960 ( 0.188 -0.737 0.656) 1.004 17.960 ( 0.188 0.737 0.656) 1.004 18.037 ( 2.101 -0.428 -0.217) 2.155 18.037 ( 2.101 0.428 -0.217) 2.155 18.471 ( 1.789 -0.937 -0.656) 2.123 18.471 ( 1.789 0.937 -0.656) 2.123 18.666 ( 2.423 -0.827 0.523) 2.613 18.666 ( 2.423 0.827 0.523) 2.613 21.440 ( -0.827 -1.590 -0.123) 1.797 21.440 ( -0.827 1.590 -0.123) 1.797 21.456 ( 0.757 -1.285 0.200) 1.505 21.456 ( 0.757 1.285 0.200) 1.505 21.833 ( -0.068 -0.116 -0.168) 0.216 21.833 ( -0.068 0.116 -0.168) 0.216 21.841 ( 0.033 -0.120 0.062) 0.139 21.841 ( 0.033 0.120 0.062) 0.139 26.836 ( -0.338 -1.185 0.091) 1.235 26.836 ( -0.338 1.185 0.091) 1.235 26.863 ( 0.301 -1.107 -0.134) 1.155 26.863 ( 0.301 1.107 -0.134) 1.155 27.342 ( -1.153 -0.248 0.115) 1.185 27.342 ( -1.153 0.248 0.115) 1.185 27.369 ( -0.002 -0.242 -0.013) 0.243 27.369 ( -0.002 0.242 -0.013) 0.243 35.207 ( 1.687 -1.466 0.558) 2.303 35.207 ( 1.687 1.466 0.558) 2.303 35.734 ( 0.990 -1.251 -1.950) 2.520 35.734 ( 0.990 1.251 -1.950) 2.520 36.519 ( -2.510 -3.771 1.768) 4.863 36.519 ( -2.510 3.771 1.768) 4.863 36.800 ( 3.503 -5.420 -0.725) 6.494 36.800 ( 3.503 5.420 -0.725) 6.494 38.246 ( -2.767 -7.144 0.099) 7.662 38.246 ( -2.767 7.144 0.099) 7.662 38.301 ( 3.055 -5.908 -0.296) 6.657 38.301 ( 3.055 5.908 -0.296) 6.657 39.953 ( -10.770 -4.937 -1.109) 11.900 39.953 ( -10.770 4.937 -1.109) 11.900 40.246 ( 3.149 -7.662 2.036) 8.530 40.246 ( 3.149 7.662 2.036) 8.530 ======================= Grid point 165 (90/92) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -2.173 -6.476 -2.188) 7.173 1.620 ( -2.173 6.476 -2.188) 7.173 2.016 ( -8.492 -14.962 0.486) 17.211 2.016 ( -8.492 14.962 0.486) 17.211 2.342 ( 3.515 -3.471 -0.732) 4.994 2.342 ( 3.515 3.471 -0.732) 4.994 2.454 ( -4.232 -8.647 -1.689) 9.775 2.454 ( -4.232 8.647 -1.689) 9.775 2.675 ( 4.444 -4.341 1.051) 6.301 2.675 ( 4.444 4.341 1.051) 6.301 2.810 ( -0.081 -10.085 -1.396) 10.182 2.810 ( -0.081 10.085 -1.396) 10.182 3.010 ( -8.906 -4.355 -2.370) 10.193 3.010 ( -8.906 4.355 -2.370) 10.193 3.235 ( 0.824 -1.555 2.886) 3.380 3.235 ( 0.824 1.555 2.886) 3.380 3.419 ( 2.458 -3.295 1.248) 4.296 3.419 ( 2.458 3.295 1.248) 4.296 3.544 ( -2.505 -2.721 2.125) 4.266 3.544 ( -2.505 2.721 2.125) 4.266 3.817 ( -4.215 -2.338 1.991) 5.215 3.817 ( -4.215 2.338 1.991) 5.215 3.921 ( -6.578 -7.175 -5.638) 11.249 3.921 ( -6.578 7.175 -5.638) 11.249 4.009 ( -4.873 -5.792 0.220) 7.572 4.009 ( -4.873 5.792 0.220) 7.572 4.265 ( 0.522 -2.485 -0.406) 2.572 4.265 ( 0.522 2.485 -0.406) 2.572 4.342 ( 3.073 -4.486 -1.629) 5.677 4.342 ( 3.073 4.486 -1.629) 5.677 4.544 ( 1.374 -7.159 0.786) 7.332 4.544 ( 1.374 7.159 0.786) 7.332 4.633 ( -3.754 -2.010 3.287) 5.379 4.633 ( -3.754 2.010 3.287) 5.379 4.842 ( 3.936 -2.821 -1.314) 5.018 4.842 ( 3.936 2.821 -1.314) 5.018 5.004 ( -3.775 -3.716 -5.418) 7.577 5.004 ( -3.775 3.716 -5.418) 7.577 5.135 ( -0.932 -7.716 4.469) 8.966 5.135 ( -0.932 7.716 4.469) 8.966 5.244 ( -2.418 -1.525 1.234) 3.114 5.244 ( -2.418 1.525 1.234) 3.114 5.428 ( -7.615 -2.684 3.161) 8.671 5.428 ( -7.615 2.684 3.161) 8.671 5.628 ( -1.567 -3.455 -3.396) 5.092 5.628 ( -1.567 3.455 -3.396) 5.092 5.777 ( 1.819 -4.562 1.228) 5.062 5.777 ( 1.819 4.562 1.228) 5.062 5.900 ( 0.704 -3.838 -0.677) 3.961 5.900 ( 0.704 3.838 -0.677) 3.961 6.151 ( -4.159 -5.975 2.615) 7.735 6.151 ( -4.159 5.975 2.615) 7.735 6.232 ( -4.922 -4.445 -2.915) 7.244 6.232 ( -4.922 4.445 -2.915) 7.244 6.316 ( 2.323 -1.809 -0.865) 3.069 6.316 ( 2.323 1.809 -0.865) 3.069 6.403 ( 1.448 -2.598 3.032) 4.247 6.403 ( 1.448 2.598 3.032) 4.247 6.587 ( 1.557 -2.338 -5.270) 5.972 6.587 ( 1.557 2.338 -5.270) 5.972 6.817 ( -1.199 -4.839 -2.563) 5.605 6.817 ( -1.199 4.839 -2.563) 5.605 7.000 ( -0.590 -5.180 3.624) 6.349 7.000 ( -0.590 5.180 3.624) 6.349 7.036 ( 0.548 -4.197 0.187) 4.237 7.036 ( 0.548 4.197 0.187) 4.237 7.149 ( 3.777 -2.758 1.172) 4.821 7.149 ( 3.777 2.758 1.172) 4.821 7.345 ( -1.279 -1.722 2.689) 3.440 7.345 ( -1.279 1.722 2.689) 3.440 7.792 ( -3.315 -3.939 2.530) 5.736 7.792 ( -3.315 3.939 2.530) 5.736 7.908 ( -7.412 -6.759 -7.494) 12.521 7.908 ( -7.412 6.759 -7.494) 12.521 8.172 ( -3.594 -4.732 4.917) 7.713 8.172 ( -3.594 4.732 4.917) 7.713 8.202 ( 2.143 -6.484 -4.338) 8.090 8.202 ( 2.143 6.484 -4.338) 8.090 8.470 ( 2.011 -1.888 -0.810) 2.875 8.470 ( 2.011 1.888 -0.810) 2.875 8.567 ( -4.153 -4.320 5.211) 7.941 8.567 ( -4.153 4.320 5.211) 7.941 8.715 ( 2.125 -1.155 -2.744) 3.658 8.715 ( 2.125 1.155 -2.744) 3.658 9.072 ( -4.494 -6.706 1.886) 8.290 9.072 ( -4.494 6.706 1.886) 8.290 9.188 ( 0.547 -6.068 -1.125) 6.195 9.188 ( 0.547 6.068 -1.125) 6.195 9.561 ( -9.205 -5.182 5.312) 11.824 9.561 ( -9.205 5.182 5.312) 11.824 9.695 ( -2.234 -4.874 -1.851) 5.672 9.695 ( -2.234 4.874 -1.851) 5.672 9.912 ( -4.578 -2.489 -2.551) 5.802 9.912 ( -4.578 2.489 -2.551) 5.802 10.569 ( 4.365 -6.781 -0.671) 8.093 10.569 ( 4.365 6.781 -0.671) 8.093 16.615 ( -3.234 -1.051 0.166) 3.405 16.615 ( -3.234 1.051 0.166) 3.405 16.828 ( 2.430 -0.573 -0.408) 2.529 16.828 ( 2.430 0.573 -0.408) 2.529 17.480 ( -0.847 -4.187 -0.026) 4.272 17.480 ( -0.847 4.187 -0.026) 4.272 17.622 ( 3.334 -6.079 -1.368) 7.067 17.622 ( 3.334 6.079 -1.368) 7.067 17.994 ( 1.759 -1.650 2.243) 3.293 17.994 ( 1.759 1.650 2.243) 3.293 18.102 ( 5.351 -0.622 0.262) 5.393 18.102 ( 5.351 0.622 0.262) 5.393 18.515 ( 4.415 -2.249 -0.728) 5.008 18.515 ( 4.415 2.249 -0.728) 5.008 18.749 ( 7.086 -1.835 -0.253) 7.325 18.749 ( 7.086 1.835 -0.253) 7.325 21.421 ( -1.055 -1.602 -0.371) 1.954 21.421 ( -1.055 1.602 -0.371) 1.954 21.471 ( 0.748 -1.003 0.124) 1.257 21.471 ( 0.748 1.003 0.124) 1.257 21.828 ( -0.246 -0.029 -0.213) 0.327 21.828 ( -0.246 0.029 -0.213) 0.327 21.846 ( 0.160 -0.321 0.421) 0.553 21.846 ( 0.160 0.321 0.421) 0.553 26.831 ( -0.501 -2.135 0.362) 2.222 26.831 ( -0.501 2.135 0.362) 2.222 26.867 ( 0.501 -2.045 -0.285) 2.125 26.867 ( 0.501 2.045 -0.285) 2.125 27.310 ( -2.245 -0.252 -0.187) 2.267 27.310 ( -2.245 0.252 -0.187) 2.267 27.365 ( -0.769 -0.342 0.083) 0.845 27.365 ( -0.769 0.342 0.083) 0.845 35.269 ( 5.265 -0.311 0.144) 5.276 35.269 ( 5.265 0.311 0.144) 5.276 35.731 ( 0.797 -2.135 -1.390) 2.670 35.731 ( 0.797 2.135 -1.390) 2.670 36.500 ( -2.091 -6.801 2.626) 7.585 36.500 ( -2.091 6.801 2.626) 7.585 36.880 ( 6.171 -12.168 -0.503) 13.652 36.880 ( 6.171 12.168 -0.503) 13.652 38.216 ( -1.134 -6.165 0.999) 6.348 38.216 ( -1.134 6.165 0.999) 6.348 38.349 ( 2.629 -6.070 -0.205) 6.618 38.349 ( 2.629 6.070 -0.205) 6.618 39.631 ( -21.046 -5.476 -3.834) 22.082 39.631 ( -21.046 5.476 -3.834) 22.082 40.312 ( -0.291 -14.346 1.545) 14.432 40.312 ( -0.291 14.346 1.545) 14.432 ======================= Grid point 167 (91/92) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -3.030 -8.623 3.487) 9.783 1.585 ( -3.030 8.623 3.487) 9.783 1.873 ( -9.444 -12.056 3.038) 15.613 1.873 ( -9.444 12.056 3.038) 15.613 2.285 ( -10.278 -4.010 -3.443) 11.557 2.285 ( -10.278 4.010 -3.443) 11.557 2.421 ( 5.685 -1.403 -2.974) 6.568 2.421 ( 5.685 1.403 -2.974) 6.568 2.687 ( -5.228 -4.984 -6.661) 9.825 2.687 ( -5.228 4.984 -6.661) 9.825 2.774 ( -5.199 -9.742 -2.688) 11.365 2.774 ( -5.199 9.742 -2.688) 11.365 2.881 ( 3.696 -4.374 3.532) 6.728 2.881 ( 3.696 4.374 3.532) 6.728 3.265 ( -4.752 -1.705 0.640) 5.089 3.265 ( -4.752 1.705 0.640) 5.089 3.365 ( -9.404 -6.833 -1.084) 11.675 3.365 ( -9.404 6.833 -1.084) 11.675 3.501 ( -2.595 -2.573 0.544) 3.694 3.501 ( -2.595 2.573 0.544) 3.694 3.667 ( -8.272 -9.411 -2.406) 12.758 3.667 ( -8.272 9.411 -2.406) 12.758 3.840 ( -1.071 -4.420 0.927) 4.641 3.840 ( -1.071 4.420 0.927) 4.641 3.967 ( -0.125 -3.377 0.175) 3.384 3.967 ( -0.125 3.377 0.175) 3.384 4.256 ( 0.225 -2.839 -2.471) 3.771 4.256 ( 0.225 2.839 -2.471) 3.771 4.388 ( 2.313 -1.541 -0.123) 2.782 4.388 ( 2.313 1.541 -0.123) 2.782 4.552 ( 1.181 -8.214 -2.791) 8.755 4.552 ( 1.181 8.214 -2.791) 8.755 4.655 ( -0.052 -1.154 4.637) 4.778 4.655 ( -0.052 1.154 4.637) 4.778 4.863 ( -2.394 -1.465 -2.360) 3.668 4.863 ( -2.394 1.465 -2.360) 3.668 4.883 ( -0.787 -5.762 -2.380) 6.283 4.883 ( -0.787 5.762 -2.380) 6.283 5.116 ( -7.426 -6.128 2.416) 9.926 5.116 ( -7.426 6.128 2.416) 9.926 5.204 ( 2.014 -3.520 1.259) 4.247 5.204 ( 2.014 3.520 1.259) 4.247 5.458 ( 0.177 -5.134 5.036) 7.193 5.458 ( 0.177 5.134 5.036) 7.193 5.609 ( 3.193 -5.974 -0.596) 6.800 5.609 ( 3.193 5.974 -0.596) 6.800 5.761 ( -0.253 -3.193 -5.475) 6.343 5.761 ( -0.253 3.193 -5.475) 6.343 5.900 ( -2.625 -1.980 3.251) 4.624 5.900 ( -2.625 1.980 3.251) 4.624 6.064 ( -6.550 -3.289 0.833) 7.376 6.064 ( -6.550 3.289 0.833) 7.376 6.142 ( -4.515 -1.747 2.484) 5.441 6.142 ( -4.515 1.747 2.484) 5.441 6.351 ( 2.876 -1.923 -1.930) 3.962 6.351 ( 2.876 1.923 -1.930) 3.962 6.501 ( 4.805 -3.951 2.398) 6.667 6.501 ( 4.805 3.951 2.398) 6.667 6.561 ( 2.376 -5.984 -3.544) 7.349 6.561 ( 2.376 5.984 -3.544) 7.349 6.771 ( -2.194 -3.660 0.475) 4.294 6.771 ( -2.194 3.660 0.475) 4.294 6.969 ( -4.419 -1.270 -0.061) 4.598 6.969 ( -4.419 1.270 -0.061) 4.598 7.090 ( 3.097 -1.491 3.312) 4.773 7.090 ( 3.097 1.491 3.312) 4.773 7.227 ( 1.848 -1.177 1.449) 2.627 7.227 ( 1.848 1.177 1.449) 2.627 7.392 ( 3.489 -1.434 3.958) 5.468 7.392 ( 3.489 1.434 3.958) 5.468 7.654 ( -10.287 -5.568 -5.602) 12.969 7.654 ( -10.287 5.568 -5.602) 12.969 7.809 ( -0.767 -3.157 -0.217) 3.256 7.809 ( -0.767 3.157 -0.217) 3.256 8.085 ( -5.039 -3.208 0.070) 5.974 8.085 ( -5.039 3.208 0.070) 5.974 8.224 ( 0.142 -2.471 -1.440) 2.863 8.224 ( 0.142 2.471 -1.440) 2.863 8.434 ( -0.926 -0.737 -6.587) 6.693 8.434 ( -0.926 0.737 -6.587) 6.693 8.616 ( 1.204 -1.153 5.826) 6.060 8.616 ( 1.204 1.153 5.826) 6.060 8.695 ( -1.817 -4.735 -0.073) 5.073 8.695 ( -1.817 4.735 -0.073) 5.073 9.023 ( -3.799 -5.856 2.383) 7.376 9.023 ( -3.799 5.856 2.383) 7.376 9.169 ( -2.190 -4.237 0.053) 4.770 9.169 ( -2.190 4.237 0.053) 4.770 9.455 ( -9.291 -6.457 5.375) 12.526 9.455 ( -9.291 6.457 5.375) 12.526 9.641 ( -2.446 -6.121 -0.714) 6.630 9.641 ( -2.446 6.121 -0.714) 6.630 9.832 ( -3.116 -2.543 -0.034) 4.022 9.832 ( -3.116 2.543 -0.034) 4.022 10.576 ( -0.006 -10.809 -5.460) 12.110 10.576 ( -0.006 10.809 -5.460) 12.110 16.567 ( -2.511 -1.200 -0.127) 2.786 16.567 ( -2.511 1.200 -0.127) 2.786 16.854 ( 1.264 -0.418 -0.334) 1.372 16.854 ( 1.264 0.418 -0.334) 1.372 17.467 ( -0.697 -4.427 0.341) 4.495 17.467 ( -0.697 4.427 0.341) 4.495 17.652 ( 2.758 -5.812 -3.116) 7.148 17.652 ( 2.758 5.812 -3.116) 7.148 18.056 ( 1.887 -2.127 3.182) 4.267 18.056 ( 1.887 2.127 3.182) 4.267 18.203 ( 5.682 -0.538 0.022) 5.708 18.203 ( 5.682 0.538 0.022) 5.708 18.613 ( 7.616 -3.446 0.466) 8.372 18.613 ( 7.616 3.446 0.466) 8.372 18.885 ( 9.227 -2.275 -0.858) 9.542 18.885 ( 9.227 2.275 -0.858) 9.542 21.399 ( -0.985 -1.046 -0.370) 1.484 21.399 ( -0.985 1.046 -0.370) 1.484 21.483 ( 0.542 -0.684 0.037) 0.874 21.483 ( 0.542 0.684 0.037) 0.874 21.821 ( -0.271 -0.125 -0.219) 0.370 21.821 ( -0.271 0.125 -0.219) 0.370 21.855 ( 0.191 -0.422 0.737) 0.871 21.855 ( 0.191 0.422 0.737) 0.871 26.828 ( -0.418 -2.166 0.495) 2.261 26.828 ( -0.418 2.166 0.495) 2.261 26.875 ( 0.681 -2.019 -0.253) 2.146 26.875 ( 0.681 2.019 -0.253) 2.146 27.270 ( -2.280 -0.164 0.040) 2.287 27.270 ( -2.280 0.164 0.040) 2.287 27.346 ( -1.254 -0.470 -0.126) 1.345 27.346 ( -1.254 0.470 -0.126) 1.345 35.385 ( 7.959 -0.714 0.280) 7.996 35.385 ( 7.959 0.714 0.280) 7.996 35.729 ( 0.401 -4.727 -1.126) 4.876 35.729 ( 0.401 4.727 -1.126) 4.876 36.513 ( -0.210 -6.439 3.500) 7.331 36.513 ( -0.210 6.439 3.500) 7.331 36.977 ( 5.378 -14.785 -0.262) 15.735 36.977 ( 5.378 14.785 -0.262) 15.735 38.236 ( 2.155 -3.584 1.367) 4.400 38.236 ( 2.155 3.584 1.367) 4.400 38.376 ( 1.027 -4.387 -0.724) 4.563 38.376 ( 1.027 4.387 -0.724) 4.563 39.219 ( -22.978 -3.204 -2.119) 23.297 39.219 ( -22.978 3.204 -2.119) 23.297 40.244 ( -6.367 -14.985 -3.449) 16.643 40.244 ( -6.367 14.985 -3.449) 16.643 ======================= Grid point 169 (92/92) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -11.862 -12.196 12.102) 20.878 1.556 ( -11.862 12.196 12.102) 20.878 1.789 ( -7.200 -15.428 9.103) 19.307 1.789 ( -7.200 15.428 9.103) 19.307 2.059 ( -5.900 -8.303 -6.917) 12.312 2.059 ( -5.900 8.303 -6.917) 12.312 2.400 ( -1.607 -9.727 -10.928) 14.718 2.400 ( -1.607 9.727 -10.928) 14.718 2.561 ( 2.789 -5.206 -3.979) 7.121 2.561 ( 2.789 5.206 -3.979) 7.121 2.728 ( -0.057 -3.902 -1.507) 4.184 2.728 ( -0.057 3.902 -1.507) 4.184 2.963 ( -2.431 -2.975 0.247) 3.850 2.963 ( -2.431 2.975 0.247) 3.850 3.059 ( -9.787 -6.516 -0.553) 11.771 3.059 ( -9.787 6.516 -0.553) 11.771 3.202 ( -4.724 -1.352 -5.744) 7.559 3.202 ( -4.724 1.352 -5.744) 7.559 3.428 ( -5.458 -5.272 -0.280) 7.593 3.428 ( -5.458 5.272 -0.280) 7.593 3.632 ( 1.703 -9.674 2.283) 10.085 3.632 ( 1.703 9.674 2.283) 10.085 3.812 ( -2.435 -6.909 -0.739) 7.363 3.812 ( -2.435 6.909 -0.739) 7.363 4.005 ( 1.383 -3.123 3.200) 4.680 4.005 ( 1.383 3.123 3.200) 4.680 4.227 ( -0.043 -3.307 -2.258) 4.005 4.227 ( -0.043 3.307 -2.258) 4.005 4.407 ( 0.513 -1.353 -0.965) 1.739 4.407 ( 0.513 1.353 -0.965) 1.739 4.539 ( 1.979 -8.136 -3.199) 8.964 4.539 ( 1.979 8.136 -3.199) 8.964 4.665 ( -2.284 -0.853 -0.011) 2.438 4.665 ( -2.284 0.853 -0.011) 2.438 4.783 ( -2.005 -2.477 -1.653) 3.590 4.783 ( -2.005 2.477 -1.653) 3.590 4.914 ( 3.007 -3.351 1.895) 4.885 4.914 ( 3.007 3.351 1.895) 4.885 5.080 ( -0.725 -1.494 1.436) 2.196 5.080 ( -0.725 1.494 1.436) 2.196 5.251 ( 0.769 -7.538 2.223) 7.896 5.251 ( 0.769 7.538 2.223) 7.896 5.454 ( -2.120 -3.007 -0.865) 3.779 5.454 ( -2.120 3.007 -0.865) 3.779 5.638 ( -0.838 -2.613 -2.253) 3.550 5.638 ( -0.838 2.613 -2.253) 3.550 5.711 ( -0.369 -5.236 -1.603) 5.489 5.711 ( -0.369 5.236 -1.603) 5.489 5.904 ( 0.338 -4.718 0.955) 4.825 5.904 ( 0.338 4.718 0.955) 4.825 6.019 ( -3.181 -2.303 6.221) 7.357 6.019 ( -3.181 2.303 6.221) 7.357 6.136 ( -0.352 -3.076 5.726) 6.510 6.136 ( -0.352 3.076 5.726) 6.510 6.366 ( 2.523 -0.617 -2.716) 3.758 6.366 ( 2.523 0.617 -2.716) 3.758 6.552 ( 0.638 -3.454 0.430) 3.539 6.552 ( 0.638 3.454 0.430) 3.539 6.609 ( 3.596 -4.256 -2.499) 6.106 6.609 ( 3.596 4.256 -2.499) 6.106 6.780 ( 0.965 -3.069 3.712) 4.912 6.780 ( 0.965 3.069 3.712) 4.912 6.899 ( -1.547 -1.624 -0.639) 2.332 6.899 ( -1.547 1.624 -0.639) 2.332 7.176 ( 2.567 -1.216 0.113) 2.842 7.176 ( 2.567 1.216 0.113) 2.842 7.242 ( -1.126 -2.743 4.574) 5.451 7.242 ( -1.126 2.743 4.574) 5.451 7.384 ( -10.620 -2.409 -5.045) 12.002 7.384 ( -10.620 2.409 -5.045) 12.002 7.569 ( 7.068 -2.457 3.609) 8.308 7.569 ( 7.068 2.457 3.609) 8.308 7.764 ( -1.785 -1.165 -3.265) 3.900 7.764 ( -1.785 1.165 -3.265) 3.900 8.049 ( -0.799 -1.576 1.460) 2.292 8.049 ( -0.799 1.576 1.460) 2.292 8.174 ( -3.618 -4.156 -1.469) 5.702 8.174 ( -3.618 4.156 -1.469) 5.702 8.319 ( -3.836 -1.881 -5.311) 6.816 8.319 ( -3.836 1.881 -5.311) 6.816 8.629 ( -0.484 -3.332 -1.121) 3.549 8.629 ( -0.484 3.332 -1.121) 3.549 8.758 ( 4.203 -2.753 4.341) 6.640 8.758 ( 4.203 2.753 4.341) 6.640 8.984 ( -3.951 -3.653 2.201) 5.814 8.984 ( -3.951 3.653 2.201) 5.814 9.127 ( -3.218 -1.625 1.506) 3.906 9.127 ( -3.218 1.625 1.506) 3.906 9.375 ( -7.923 -5.337 6.932) 11.803 9.375 ( -7.923 5.337 6.932) 11.803 9.597 ( 1.700 -3.036 -6.349) 7.240 9.597 ( 1.700 3.036 -6.349) 7.240 9.815 ( -3.222 -3.404 7.061) 8.475 9.815 ( -3.222 3.404 7.061) 8.475 10.467 ( -1.821 -12.167 -10.394) 16.106 10.467 ( -1.821 12.167 -10.394) 16.106 16.528 ( -1.602 -1.019 -0.527) 1.970 16.528 ( -1.602 1.019 -0.527) 1.970 16.868 ( 0.680 -0.533 0.048) 0.865 16.868 ( 0.680 0.533 0.048) 0.865 17.465 ( -0.296 -3.715 0.772) 3.806 17.465 ( -0.296 3.715 0.772) 3.806 17.646 ( 1.097 -4.198 -3.829) 5.787 17.646 ( 1.097 4.198 -3.829) 5.787 18.116 ( 0.888 -1.973 3.324) 3.966 18.116 ( 0.888 1.973 3.324) 3.966 18.272 ( 3.003 -0.563 -1.136) 3.259 18.272 ( 3.003 0.563 -1.136) 3.259 18.762 ( 7.366 -3.185 1.664) 8.196 18.762 ( 7.366 3.185 1.664) 8.196 19.015 ( 6.571 -2.049 -0.995) 6.954 19.015 ( 6.571 2.049 -0.995) 6.954 21.384 ( -0.455 -0.351 -0.068) 0.579 21.384 ( -0.455 0.351 -0.068) 0.579 21.489 ( 0.181 -0.457 -0.084) 0.499 21.489 ( 0.181 0.457 -0.084) 0.499 21.815 ( -0.172 -0.160 -0.169) 0.290 21.815 ( -0.172 0.160 -0.169) 0.290 21.867 ( 0.178 -0.397 0.809) 0.918 21.867 ( 0.178 0.397 0.809) 0.918 26.828 ( -0.230 -1.688 0.477) 1.769 26.828 ( -0.230 1.688 0.477) 1.769 26.883 ( 0.576 -1.536 -0.195) 1.652 26.883 ( 0.576 1.536 -0.195) 1.652 27.238 ( -1.580 -0.198 0.123) 1.597 27.238 ( -1.580 0.198 0.123) 1.597 27.327 ( -0.799 -0.392 -0.080) 0.893 27.327 ( -0.799 0.392 -0.080) 0.893 35.527 ( 7.267 -1.925 1.187) 7.611 35.527 ( 7.267 1.925 1.187) 7.611 35.716 ( -0.232 -6.469 -1.791) 6.716 35.716 ( -0.232 6.469 -1.791) 6.716 36.566 ( 1.457 -5.451 3.970) 6.899 36.566 ( 1.457 5.451 3.970) 6.899 37.039 ( 2.048 -13.258 -0.252) 13.418 37.039 ( 2.048 13.258 -0.252) 13.418 38.309 ( 4.388 -3.619 -1.594) 5.907 38.309 ( 4.388 3.619 -1.594) 5.907 38.382 ( 1.864 -2.641 1.593) 3.603 38.382 ( 1.864 2.641 1.593) 3.603 38.847 ( -19.010 -1.447 -0.174) 19.066 38.847 ( -19.010 1.447 -0.174) 19.066 40.059 ( -7.467 -10.092 -6.616) 14.191 40.059 ( -7.467 10.092 -6.616) 14.191 =================== 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 3/38880 10.0 172.149 180.357 291.578 0.000 -62.156 0.000 3/38880 20.0 19.302 21.043 25.398 0.000 -4.977 0.000 3/38880 30.0 7.286 7.666 8.839 0.000 -1.686 0.000 3/38880 40.0 4.170 4.215 4.798 0.000 -0.898 0.000 3/38880 50.0 2.866 2.811 3.175 0.000 -0.588 0.000 3/38880 60.0 2.176 2.089 2.348 0.000 -0.431 0.000 3/38880 70.0 1.757 1.661 1.863 0.000 -0.339 0.000 3/38880 80.0 1.479 1.383 1.550 0.000 -0.279 0.000 3/38880 90.0 1.282 1.189 1.333 0.000 -0.238 0.000 3/38880 100.0 1.135 1.047 1.175 0.000 -0.208 0.000 3/38880 110.0 1.022 0.939 1.053 0.000 -0.186 0.000 3/38880 120.0 0.932 0.853 0.958 0.000 -0.168 0.000 3/38880 130.0 0.859 0.783 0.880 0.000 -0.154 0.000 3/38880 140.0 0.797 0.725 0.815 0.000 -0.142 0.000 3/38880 150.0 0.745 0.676 0.759 0.000 -0.132 0.000 3/38880 160.0 0.701 0.634 0.712 0.000 -0.123 0.000 3/38880 170.0 0.662 0.598 0.671 0.000 -0.116 0.000 3/38880 180.0 0.628 0.566 0.634 0.000 -0.109 0.000 3/38880 190.0 0.598 0.537 0.601 0.000 -0.104 0.000 3/38880 200.0 0.571 0.512 0.572 0.000 -0.099 0.000 3/38880 210.0 0.547 0.489 0.546 0.000 -0.094 0.000 3/38880 220.0 0.525 0.468 0.522 0.000 -0.090 0.000 3/38880 230.0 0.505 0.450 0.500 0.000 -0.086 0.000 3/38880 240.0 0.487 0.432 0.481 0.000 -0.082 0.000 3/38880 250.0 0.471 0.417 0.462 0.000 -0.079 0.000 3/38880 260.0 0.455 0.402 0.445 0.000 -0.076 0.000 3/38880 270.0 0.441 0.389 0.430 0.000 -0.074 0.000 3/38880 280.0 0.428 0.376 0.415 0.000 -0.071 0.000 3/38880 290.0 0.416 0.365 0.402 0.000 -0.069 0.000 3/38880 300.0 0.405 0.354 0.389 0.000 -0.066 0.000 3/38880 310.0 0.394 0.344 0.377 0.000 -0.064 0.000 3/38880 320.0 0.385 0.334 0.366 0.000 -0.062 0.000 3/38880 330.0 0.375 0.325 0.356 0.000 -0.061 0.000 3/38880 340.0 0.367 0.317 0.346 0.000 -0.059 0.000 3/38880 350.0 0.359 0.309 0.337 0.000 -0.057 0.000 3/38880 360.0 0.351 0.301 0.328 0.000 -0.056 0.000 3/38880 370.0 0.344 0.294 0.320 0.000 -0.054 0.000 3/38880 380.0 0.337 0.287 0.312 0.000 -0.053 0.000 3/38880 390.0 0.331 0.281 0.305 0.000 -0.051 0.000 3/38880 400.0 0.324 0.275 0.298 0.000 -0.050 0.000 3/38880 410.0 0.319 0.269 0.291 0.000 -0.049 0.000 3/38880 420.0 0.313 0.263 0.285 0.000 -0.048 0.000 3/38880 430.0 0.308 0.258 0.279 0.000 -0.047 0.000 3/38880 440.0 0.303 0.253 0.273 0.000 -0.046 0.000 3/38880 450.0 0.298 0.248 0.267 0.000 -0.045 0.000 3/38880 460.0 0.293 0.244 0.262 0.000 -0.044 0.000 3/38880 470.0 0.289 0.239 0.257 0.000 -0.043 0.000 3/38880 480.0 0.284 0.235 0.252 0.000 -0.042 0.000 3/38880 490.0 0.280 0.231 0.248 0.000 -0.041 0.000 3/38880 500.0 0.276 0.227 0.243 0.000 -0.040 0.000 3/38880 510.0 0.272 0.223 0.239 0.000 -0.040 0.000 3/38880 520.0 0.269 0.219 0.235 0.000 -0.039 0.000 3/38880 530.0 0.265 0.216 0.231 0.000 -0.038 0.000 3/38880 540.0 0.262 0.212 0.227 0.000 -0.037 0.000 3/38880 550.0 0.258 0.209 0.223 0.000 -0.037 0.000 3/38880 560.0 0.255 0.206 0.219 0.000 -0.036 0.000 3/38880 570.0 0.252 0.203 0.216 0.000 -0.035 0.000 3/38880 580.0 0.249 0.200 0.213 0.000 -0.035 0.000 3/38880 590.0 0.246 0.197 0.209 0.000 -0.034 0.000 3/38880 600.0 0.243 0.194 0.206 0.000 -0.034 0.000 3/38880 610.0 0.240 0.191 0.203 0.000 -0.033 0.000 3/38880 620.0 0.237 0.189 0.200 0.000 -0.033 0.000 3/38880 630.0 0.235 0.186 0.197 0.000 -0.032 0.000 3/38880 640.0 0.232 0.184 0.195 0.000 -0.032 0.000 3/38880 650.0 0.230 0.181 0.192 0.000 -0.031 0.000 3/38880 660.0 0.227 0.179 0.189 0.000 -0.031 0.000 3/38880 670.0 0.225 0.177 0.187 0.000 -0.030 0.000 3/38880 680.0 0.222 0.175 0.184 0.000 -0.030 0.000 3/38880 690.0 0.220 0.172 0.182 0.000 -0.029 0.000 3/38880 700.0 0.218 0.170 0.180 0.000 -0.029 0.000 3/38880 710.0 0.216 0.168 0.177 0.000 -0.028 0.000 3/38880 720.0 0.213 0.166 0.175 0.000 -0.028 0.000 3/38880 730.0 0.211 0.164 0.173 0.000 -0.028 0.000 3/38880 740.0 0.209 0.162 0.171 0.000 -0.027 0.000 3/38880 750.0 0.207 0.161 0.169 0.000 -0.027 0.000 3/38880 760.0 0.205 0.159 0.167 0.000 -0.027 0.000 3/38880 770.0 0.203 0.157 0.165 0.000 -0.026 0.000 3/38880 780.0 0.201 0.155 0.163 0.000 -0.026 0.000 3/38880 790.0 0.200 0.154 0.161 0.000 -0.026 0.000 3/38880 800.0 0.198 0.152 0.159 0.000 -0.025 0.000 3/38880 810.0 0.196 0.150 0.158 0.000 -0.025 0.000 3/38880 820.0 0.194 0.149 0.156 0.000 -0.025 0.000 3/38880 830.0 0.192 0.147 0.154 0.000 -0.024 0.000 3/38880 840.0 0.191 0.146 0.152 0.000 -0.024 0.000 3/38880 850.0 0.189 0.144 0.151 0.000 -0.024 0.000 3/38880 860.0 0.188 0.143 0.149 0.000 -0.024 0.000 3/38880 870.0 0.186 0.141 0.148 0.000 -0.023 0.000 3/38880 880.0 0.184 0.140 0.146 0.000 -0.023 0.000 3/38880 890.0 0.183 0.139 0.145 0.000 -0.023 0.000 3/38880 900.0 0.181 0.137 0.143 0.000 -0.022 0.000 3/38880 910.0 0.180 0.136 0.142 0.000 -0.022 0.000 3/38880 920.0 0.178 0.135 0.140 0.000 -0.022 0.000 3/38880 930.0 0.177 0.134 0.139 0.000 -0.022 0.000 3/38880 940.0 0.175 0.132 0.138 0.000 -0.022 0.000 3/38880 950.0 0.174 0.131 0.136 0.000 -0.021 0.000 3/38880 960.0 0.173 0.130 0.135 0.000 -0.021 0.000 3/38880 970.0 0.171 0.129 0.134 0.000 -0.021 0.000 3/38880 980.0 0.170 0.128 0.133 0.000 -0.021 0.000 3/38880 990.0 0.169 0.127 0.131 0.000 -0.020 0.000 3/38880 1000.0 0.167 0.125 0.130 0.000 -0.020 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m965.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:11:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|