----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:07:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.141994290569132 1.814031249452352 8.729792253333324 b -3.141994290569126 1.814031249452352 8.729792253333324 c 0.000000000000003 -3.628062498904710 8.729792253333324 Atomic positions (fractional): *1 O 0.85105870328809 0.58876702857343 0.15195543799753 15.999 2 O 0.15195543799753 0.85105870328809 0.58876702857343 15.999 3 O 0.58876702857343 0.15195543799753 0.85105870328809 15.999 4 O 0.14894129671191 0.41123297142657 0.84804456200247 15.999 5 O 0.84804456200247 0.14894129671191 0.41123297142657 15.999 6 O 0.41123297142657 0.84804456200247 0.14894129671191 15.999 *7 O 0.75949424248087 0.32865056351054 0.03315385269404 15.999 8 O 0.03315385269404 0.75949424248087 0.32865056351054 15.999 9 O 0.32865056351054 0.03315385269404 0.75949424248087 15.999 *10 O 0.76171301563090 0.76171301563090 0.76171301563090 15.999 11 O 0.23828698436910 0.23828698436910 0.23828698436910 15.999 *12 O 0.57373530174790 0.57373530174790 0.57373530174790 15.999 13 O 0.42626469825210 0.42626469825211 0.42626469825210 15.999 14 O 0.67134943648946 0.96684614730596 0.24050575751913 15.999 15 O 0.96684614730596 0.24050575751913 0.67134943648946 15.999 16 O 0.24050575751913 0.67134943648946 0.96684614730596 15.999 *17 Ca 0.33331339832054 0.33331339832054 0.33331339832054 40.078 18 Ca 0.66668660167946 0.66668660167946 0.66668660167946 40.078 *19 Hf 0.74248130551780 0.48759148722395 0.11269070818553 178.490 20 Hf 0.11269070818553 0.74248130551780 0.48759148722395 178.490 21 Hf 0.48759148722395 0.11269070818553 0.74248130551780 178.490 22 Hf 0.25751869448221 0.51240851277605 0.88730929181447 178.490 23 Hf 0.88730929181447 0.25751869448221 0.51240851277605 178.490 24 Hf 0.51240851277605 0.88730929181447 0.25751869448220 178.490 *25 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.283988581138259 0.000000000000000 0.000000000000000 b -3.141994290569130 5.442093748357062 0.000000000000000 c 0.000000000000000 0.000000000000000 26.189376759999998 Atomic positions (fractional): *1 O 0.65379831333508 0.04530495195549 0.19726038995302 15.999 > 1 2 O 0.95469504804451 0.60849336137959 0.19726038995302 15.999 > 2 3 O 0.39150663862041 0.34620168666493 0.19726038995302 15.999 > 3 4 O 0.01286835333159 0.28802838137784 0.13607294338032 15.999 > 4 5 O 0.71197161862216 0.72483997195375 0.13607294338032 15.999 > 5 6 O 0.27516002804625 0.98713164666841 0.13607294338032 15.999 > 6 *7 O 0.71906135625239 0.00727903353444 0.04043288622849 15.999 > 7 8 O 0.99272096646556 0.71178232271795 0.04043288622849 15.999 > 8 9 O 0.28821767728205 0.28093864374761 0.04043288622849 15.999 > 9 *10 O 0.66666666666667 0.33333333333333 0.09504634896424 15.999 > 10 11 O 0.00000000000000 0.00000000000000 0.23828698436910 15.999 > 11 *12 O 0.33333333333333 0.66666666666667 0.24040196841456 15.999 > 12 13 O 0.33333333333333 0.66666666666667 0.09293136491877 15.999 > 13 14 O 0.37844898938461 0.05239468958572 0.29290044710485 15.999 > 14 15 O 0.67394570020111 0.62155101061539 0.29290044710485 15.999 > 15 16 O 0.94760531041428 0.32605429979889 0.29290044710485 15.999 > 16 17 O 0.32046498000174 0.37863828528882 0.53059372328635 15.999 > 1 18 O 0.62136171471118 0.94182669471292 0.53059372328635 15.999 > 2 19 O 0.05817330528708 0.67953501999826 0.53059372328635 15.999 > 3 20 O 0.67953501999826 0.62136171471118 0.46940627671365 15.999 > 4 21 O 0.37863828528882 0.05817330528708 0.46940627671365 15.999 > 5 22 O 0.94182669471292 0.32046498000174 0.46940627671365 15.999 > 6 23 O 0.38572802291906 0.34061236686778 0.37376621956182 15.999 > 7 24 O 0.65938763313222 0.04511565605128 0.37376621956182 15.999 > 8 25 O 0.95488434394872 0.61427197708094 0.37376621956182 15.999 > 9 26 O 0.33333333333333 0.66666666666667 0.42837968229757 15.999 > 10 27 O 0.66666666666667 0.33333333333333 0.57162031770243 15.999 > 11 28 O 0.00000000000000 0.00000000000000 0.57373530174790 15.999 > 12 29 O 0.00000000000000 0.00000000000000 0.42626469825210 15.999 > 13 30 O 0.04511565605128 0.38572802291906 0.62623378043818 15.999 > 14 31 O 0.34061236686778 0.95488434394872 0.62623378043818 15.999 > 15 32 O 0.61427197708094 0.65938763313222 0.62623378043818 15.999 > 16 33 O 0.98713164666841 0.71197161862216 0.86392705661968 15.999 > 1 34 O 0.28802838137784 0.27516002804625 0.86392705661968 15.999 > 2 35 O 0.72483997195375 0.01286835333159 0.86392705661968 15.999 > 3 36 O 0.34620168666493 0.95469504804451 0.80273961004698 15.999 > 4 37 O 0.04530495195549 0.39150663862041 0.80273961004698 15.999 > 5 38 O 0.60849336137959 0.65379831333508 0.80273961004698 15.999 > 6 39 O 0.05239468958572 0.67394570020111 0.70709955289515 15.999 > 7 40 O 0.32605429979889 0.37844898938461 0.70709955289515 15.999 > 8 41 O 0.62155101061539 0.94760531041428 0.70709955289515 15.999 > 9 42 O 0.00000000000000 0.00000000000000 0.76171301563090 15.999 > 10 43 O 0.33333333333333 0.66666666666667 0.90495365103576 15.999 > 11 44 O 0.66666666666667 0.33333333333333 0.90706863508123 15.999 > 12 45 O 0.66666666666667 0.33333333333333 0.75959803158544 15.999 > 13 46 O 0.71178232271795 0.71906135625239 0.95956711377152 15.999 > 14 47 O 0.00727903353444 0.28821767728205 0.95956711377152 15.999 > 15 48 O 0.28093864374761 0.99272096646556 0.95956711377152 15.999 > 16 *49 Ca 0.00000000000000 0.00000000000000 0.33331339832054 40.078 > 17 50 Ca 0.66666666666667 0.33333333333333 0.00001993501279 40.078 > 18 51 Ca 0.66666666666667 0.33333333333333 0.66664673165388 40.078 > 17 52 Ca 0.33333333333333 0.66666666666667 0.33335326834612 40.078 > 18 53 Ca 0.33333333333333 0.66666666666667 0.99998006498721 40.078 > 17 54 Ca 0.00000000000000 0.00000000000000 0.66668660167946 40.078 > 18 *55 Hf 0.62822680520871 0.00156379212356 0.11425450030909 178.490 > 19 56 Hf 0.99843620787644 0.62666301308514 0.11425450030909 178.490 > 20 57 Hf 0.37333698691486 0.37177319479129 0.11425450030909 178.490 > 21 58 Hf 0.03843986145796 0.33176954120977 0.21907883302424 178.490 > 22 59 Hf 0.66823045879023 0.70667032024819 0.21907883302424 178.490 > 23 60 Hf 0.29332967975181 0.96156013854204 0.21907883302424 178.490 > 24 *61 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 25 62 Hf 0.29489347187537 0.33489712545690 0.44758783364242 178.490 > 19 63 Hf 0.66510287454310 0.95999634641848 0.44758783364242 178.490 > 20 64 Hf 0.04000365358152 0.70510652812463 0.44758783364242 178.490 > 21 65 Hf 0.70510652812463 0.66510287454310 0.55241216635758 178.490 > 22 66 Hf 0.33489712545690 0.04000365358152 0.55241216635758 178.490 > 23 67 Hf 0.95999634641848 0.29489347187537 0.55241216635758 178.490 > 24 68 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 25 69 Hf 0.96156013854204 0.66823045879023 0.78092116697576 178.490 > 19 70 Hf 0.33176954120977 0.29332967975181 0.78092116697576 178.490 > 20 71 Hf 0.70667032024819 0.03843986145796 0.78092116697576 178.490 > 21 72 Hf 0.37177319479129 0.99843620787644 0.88574549969091 178.490 > 22 73 Hf 0.00156379212356 0.37333698691486 0.88574549969091 178.490 > 23 74 Hf 0.62666301308514 0.62822680520871 0.88574549969091 178.490 > 24 75 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 25 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.283988581138259 0.000000000000000 0.000000000000000 b -3.141994290569130 5.442093748357062 0.000000000000000 c 0.000000000000000 0.000000000000000 26.189376759999998 Atomic positions (fractional): *1 O 0.65379831333508 0.04530495195549 0.19726038995302 15.999 > 1 2 O 0.95469504804451 0.60849336137959 0.19726038995302 15.999 > 2 3 O 0.39150663862041 0.34620168666493 0.19726038995302 15.999 > 3 4 O 0.01286835333159 0.28802838137784 0.13607294338032 15.999 > 4 5 O 0.71197161862216 0.72483997195375 0.13607294338032 15.999 > 5 6 O 0.27516002804625 0.98713164666841 0.13607294338032 15.999 > 6 *7 O 0.71906135625239 0.00727903353444 0.04043288622849 15.999 > 7 8 O 0.99272096646556 0.71178232271795 0.04043288622849 15.999 > 8 9 O 0.28821767728205 0.28093864374761 0.04043288622849 15.999 > 9 *10 O 0.66666666666667 0.33333333333333 0.09504634896424 15.999 > 10 11 O 0.00000000000000 0.00000000000000 0.23828698436910 15.999 > 11 *12 O 0.33333333333333 0.66666666666667 0.24040196841456 15.999 > 12 13 O 0.33333333333333 0.66666666666667 0.09293136491877 15.999 > 13 14 O 0.37844898938461 0.05239468958572 0.29290044710485 15.999 > 14 15 O 0.67394570020111 0.62155101061539 0.29290044710485 15.999 > 15 16 O 0.94760531041428 0.32605429979889 0.29290044710485 15.999 > 16 17 O 0.32046498000174 0.37863828528882 0.53059372328635 15.999 > 1 18 O 0.62136171471118 0.94182669471292 0.53059372328635 15.999 > 2 19 O 0.05817330528708 0.67953501999826 0.53059372328635 15.999 > 3 20 O 0.67953501999826 0.62136171471118 0.46940627671365 15.999 > 4 21 O 0.37863828528882 0.05817330528708 0.46940627671365 15.999 > 5 22 O 0.94182669471292 0.32046498000174 0.46940627671365 15.999 > 6 23 O 0.38572802291906 0.34061236686778 0.37376621956182 15.999 > 7 24 O 0.65938763313222 0.04511565605128 0.37376621956182 15.999 > 8 25 O 0.95488434394872 0.61427197708094 0.37376621956182 15.999 > 9 26 O 0.33333333333333 0.66666666666667 0.42837968229757 15.999 > 10 27 O 0.66666666666667 0.33333333333333 0.57162031770243 15.999 > 11 28 O 0.00000000000000 0.00000000000000 0.57373530174790 15.999 > 12 29 O 0.00000000000000 0.00000000000000 0.42626469825210 15.999 > 13 30 O 0.04511565605128 0.38572802291906 0.62623378043818 15.999 > 14 31 O 0.34061236686778 0.95488434394872 0.62623378043818 15.999 > 15 32 O 0.61427197708094 0.65938763313222 0.62623378043818 15.999 > 16 33 O 0.98713164666841 0.71197161862216 0.86392705661968 15.999 > 1 34 O 0.28802838137784 0.27516002804625 0.86392705661968 15.999 > 2 35 O 0.72483997195375 0.01286835333159 0.86392705661968 15.999 > 3 36 O 0.34620168666493 0.95469504804451 0.80273961004698 15.999 > 4 37 O 0.04530495195549 0.39150663862041 0.80273961004698 15.999 > 5 38 O 0.60849336137959 0.65379831333508 0.80273961004698 15.999 > 6 39 O 0.05239468958572 0.67394570020111 0.70709955289515 15.999 > 7 40 O 0.32605429979889 0.37844898938461 0.70709955289515 15.999 > 8 41 O 0.62155101061539 0.94760531041428 0.70709955289515 15.999 > 9 42 O 0.00000000000000 0.00000000000000 0.76171301563090 15.999 > 10 43 O 0.33333333333333 0.66666666666667 0.90495365103576 15.999 > 11 44 O 0.66666666666667 0.33333333333333 0.90706863508123 15.999 > 12 45 O 0.66666666666667 0.33333333333333 0.75959803158544 15.999 > 13 46 O 0.71178232271795 0.71906135625239 0.95956711377152 15.999 > 14 47 O 0.00727903353444 0.28821767728205 0.95956711377152 15.999 > 15 48 O 0.28093864374761 0.99272096646556 0.95956711377152 15.999 > 16 *49 Ca 0.00000000000000 0.00000000000000 0.33331339832054 40.078 > 17 50 Ca 0.66666666666667 0.33333333333333 0.00001993501279 40.078 > 18 51 Ca 0.66666666666667 0.33333333333333 0.66664673165388 40.078 > 17 52 Ca 0.33333333333333 0.66666666666667 0.33335326834612 40.078 > 18 53 Ca 0.33333333333333 0.66666666666667 0.99998006498721 40.078 > 17 54 Ca 0.00000000000000 0.00000000000000 0.66668660167946 40.078 > 18 *55 Hf 0.62822680520871 0.00156379212356 0.11425450030909 178.490 > 19 56 Hf 0.99843620787644 0.62666301308514 0.11425450030909 178.490 > 20 57 Hf 0.37333698691486 0.37177319479129 0.11425450030909 178.490 > 21 58 Hf 0.03843986145796 0.33176954120977 0.21907883302424 178.490 > 22 59 Hf 0.66823045879023 0.70667032024819 0.21907883302424 178.490 > 23 60 Hf 0.29332967975181 0.96156013854204 0.21907883302424 178.490 > 24 *61 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 25 62 Hf 0.29489347187537 0.33489712545690 0.44758783364242 178.490 > 19 63 Hf 0.66510287454310 0.95999634641848 0.44758783364242 178.490 > 20 64 Hf 0.04000365358152 0.70510652812463 0.44758783364242 178.490 > 21 65 Hf 0.70510652812463 0.66510287454310 0.55241216635758 178.490 > 22 66 Hf 0.33489712545690 0.04000365358152 0.55241216635758 178.490 > 23 67 Hf 0.95999634641848 0.29489347187537 0.55241216635758 178.490 > 24 68 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 25 69 Hf 0.96156013854204 0.66823045879023 0.78092116697576 178.490 > 19 70 Hf 0.33176954120977 0.29332967975181 0.78092116697576 178.490 > 20 71 Hf 0.70667032024819 0.03843986145796 0.78092116697576 178.490 > 21 72 Hf 0.37177319479129 0.99843620787644 0.88574549969091 178.490 > 22 73 Hf 0.00156379212356 0.37333698691486 0.88574549969091 178.490 > 23 74 Hf 0.62666301308514 0.62822680520871 0.88574549969091 178.490 > 24 75 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 25 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5253619 0.0000013 0.0000000 -0.0000013 4.5253619 0.0000000 0.0000000 0.0000000 4.6123658 -------------------------- Born effective charges -------------------------- 1 O -2.8361139 -0.2943435 0.1062381 -0.2945206 -2.2938178 0.0126959 -0.0579584 0.0535364 -2.2696219 2 O -2.6843775 0.3821257 -0.0641141 0.3819486 -2.4455543 0.0856569 -0.0173847 -0.0769616 -2.2696219 3 O -2.1744062 -0.0875165 -0.0421240 -0.0876936 -2.9555255 -0.0983529 0.0753431 0.0234252 -2.2696219 4 O -2.8361139 -0.2943435 0.1062381 -0.2945206 -2.2938178 0.0126959 -0.0579584 0.0535364 -2.2696219 5 O -2.6843775 0.3821257 -0.0641141 0.3819486 -2.4455543 0.0856569 -0.0173847 -0.0769616 -2.2696219 6 O -2.1744062 -0.0875165 -0.0421240 -0.0876936 -2.9555255 -0.0983529 0.0753431 0.0234252 -2.2696219 7 O -2.5990828 0.0418523 1.0188323 0.0313086 -1.6764195 0.0213389 1.1010180 0.0307860 -3.5233885 8 O -1.8754058 0.3865065 -0.5278962 0.3759629 -2.4000966 0.8716652 -0.5771705 0.9381166 -3.5233885 9 O -1.9387649 -0.4125433 -0.4909361 -0.4230870 -2.3367374 -0.8930041 -0.5238475 -0.9689026 -3.5233885 10 O -3.1380076 0.1689817 -0.0000000 -0.1689817 -3.1380076 0.0000000 0.0000000 0.0000000 -1.6508082 11 O -3.1380076 0.1689817 -0.0000000 -0.1689817 -3.1380076 0.0000000 0.0000000 0.0000000 -1.6508082 12 O -2.8817616 -0.1752612 -0.0000000 0.1752612 -2.8817616 0.0000000 0.0000000 0.0000000 -1.6885956 13 O -2.8817616 -0.1752612 -0.0000000 0.1752612 -2.8817616 0.0000000 0.0000000 0.0000000 -1.6885956 14 O -1.9387649 -0.4125433 -0.4909361 -0.4230870 -2.3367374 -0.8930041 -0.5238475 -0.9689026 -3.5233885 15 O -1.8754058 0.3865065 -0.5278962 0.3759629 -2.4000966 0.8716652 -0.5771705 0.9381166 -3.5233885 16 O -2.5990828 0.0418523 1.0188323 0.0313086 -1.6764195 0.0213389 1.1010180 0.0307860 -3.5233885 17 Ca 2.3291962 0.0014453 -0.0000000 -0.0014453 2.3291962 0.0000000 0.0000000 0.0000000 2.8358531 18 Ca 2.3291962 0.0014453 -0.0000000 -0.0014453 2.3291962 0.0000000 0.0000000 0.0000000 2.8358531 19 Hf 4.2556109 -0.1105255 -0.3473436 -0.1145316 5.7121873 -0.0692675 -0.2749192 0.0201521 5.0213658 20 Hf 5.2505906 0.6889834 0.2336592 0.6849773 4.7172076 -0.2661746 0.1200074 -0.2481631 5.0213658 21 Hf 5.4454958 -0.5724487 0.1136843 -0.5764549 4.5223024 0.3354421 0.1549119 0.2280110 5.0213658 22 Hf 4.2556109 -0.1105255 -0.3473436 -0.1145316 5.7121873 -0.0692675 -0.2749192 0.0201521 5.0213658 23 Hf 5.2505906 0.6889834 0.2336592 0.6849773 4.7172076 -0.2661746 0.1200074 -0.2481631 5.0213658 24 Hf 5.4454958 -0.5724487 0.1136843 -0.5764549 4.5223024 0.3354421 0.1549119 0.2280110 5.0213658 25 Hf 5.6940537 -0.0345127 -0.0000000 0.0345127 5.6940537 0.0000000 0.0000000 0.0000000 5.6369688 ---------------------------------------------------------------------------- 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: 225/225 Permutation basis: 11181/11181 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1432 Number of blocks in projector: 751 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 662 / 662 (1) 147 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1432, 1394), data: False |-- (194, 187), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 643), data: False |-- (662, 15), data: (662, 34) @ (34, 15) |-- (162, 147), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 75 / 75 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 1.461 Solver_block: 200 / 560 - Time: 1.410 Solver_block: 300 / 560 - Time: 1.412 Solver_block: 400 / 560 - Time: 1.409 Solver_block: 500 / 560 - Time: 1.372 Solver_block: 560 / 560 - Time: 0.899 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.102 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 225/225 Permutation basis: 11181/11181 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1432 Number of blocks in projector: 751 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 662 / 662 (1) 147 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1432, 1394), data: False |-- (194, 187), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 643), data: False |-- (662, 15), data: (662, 34) @ (34, 15) |-- (162, 147), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:07:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.141994290569132 1.814031249452352 8.729792253333324 b -3.141994290569126 1.814031249452352 8.729792253333324 c 0.000000000000003 -3.628062498904710 8.729792253333324 Atomic positions (fractional): 1 O 0.85105870328809 0.58876702857343 0.15195543799753 15.999 2 O 0.15195543799753 0.85105870328809 0.58876702857343 15.999 3 O 0.58876702857343 0.15195543799753 0.85105870328809 15.999 4 O 0.14894129671191 0.41123297142657 0.84804456200247 15.999 5 O 0.84804456200247 0.14894129671191 0.41123297142657 15.999 6 O 0.41123297142657 0.84804456200247 0.14894129671191 15.999 7 O 0.75949424248087 0.32865056351054 0.03315385269404 15.999 8 O 0.03315385269404 0.75949424248087 0.32865056351054 15.999 9 O 0.32865056351054 0.03315385269404 0.75949424248087 15.999 10 O 0.76171301563090 0.76171301563090 0.76171301563090 15.999 11 O 0.23828698436910 0.23828698436910 0.23828698436910 15.999 12 O 0.57373530174790 0.57373530174790 0.57373530174790 15.999 13 O 0.42626469825210 0.42626469825211 0.42626469825210 15.999 14 O 0.67134943648946 0.96684614730596 0.24050575751913 15.999 15 O 0.96684614730596 0.24050575751913 0.67134943648946 15.999 16 O 0.24050575751913 0.67134943648946 0.96684614730596 15.999 17 Ca 0.33331339832054 0.33331339832054 0.33331339832054 40.078 18 Ca 0.66668660167946 0.66668660167946 0.66668660167946 40.078 19 Hf 0.74248130551780 0.48759148722395 0.11269070818553 178.490 20 Hf 0.11269070818553 0.74248130551780 0.48759148722395 178.490 21 Hf 0.48759148722395 0.11269070818553 0.74248130551780 178.490 22 Hf 0.25751869448221 0.51240851277605 0.88730929181447 178.490 23 Hf 0.88730929181447 0.25751869448221 0.51240851277605 178.490 24 Hf 0.51240851277605 0.88730929181447 0.25751869448220 178.490 25 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.283988581138259 0.000000000000000 0.000000000000000 b -3.141994290569130 5.442093748357062 0.000000000000000 c 0.000000000000000 0.000000000000000 26.189376759999998 Atomic positions (fractional): 1 O 0.65379831333508 0.04530495195549 0.19726038995302 15.999 > 1 2 O 0.95469504804451 0.60849336137959 0.19726038995302 15.999 > 2 3 O 0.39150663862041 0.34620168666493 0.19726038995302 15.999 > 3 4 O 0.01286835333159 0.28802838137784 0.13607294338032 15.999 > 4 5 O 0.71197161862216 0.72483997195375 0.13607294338032 15.999 > 5 6 O 0.27516002804625 0.98713164666841 0.13607294338032 15.999 > 6 7 O 0.71906135625239 0.00727903353444 0.04043288622849 15.999 > 7 8 O 0.99272096646556 0.71178232271795 0.04043288622849 15.999 > 8 9 O 0.28821767728205 0.28093864374761 0.04043288622849 15.999 > 9 10 O 0.66666666666667 0.33333333333333 0.09504634896424 15.999 > 10 11 O 0.00000000000000 0.00000000000000 0.23828698436910 15.999 > 11 12 O 0.33333333333333 0.66666666666667 0.24040196841456 15.999 > 12 13 O 0.33333333333333 0.66666666666667 0.09293136491877 15.999 > 13 14 O 0.37844898938461 0.05239468958572 0.29290044710485 15.999 > 14 15 O 0.67394570020111 0.62155101061539 0.29290044710485 15.999 > 15 16 O 0.94760531041428 0.32605429979889 0.29290044710485 15.999 > 16 17 O 0.32046498000174 0.37863828528882 0.53059372328635 15.999 > 1 18 O 0.62136171471118 0.94182669471292 0.53059372328635 15.999 > 2 19 O 0.05817330528708 0.67953501999826 0.53059372328635 15.999 > 3 20 O 0.67953501999826 0.62136171471118 0.46940627671365 15.999 > 4 21 O 0.37863828528882 0.05817330528708 0.46940627671365 15.999 > 5 22 O 0.94182669471292 0.32046498000174 0.46940627671365 15.999 > 6 23 O 0.38572802291906 0.34061236686778 0.37376621956182 15.999 > 7 24 O 0.65938763313222 0.04511565605128 0.37376621956182 15.999 > 8 25 O 0.95488434394872 0.61427197708094 0.37376621956182 15.999 > 9 26 O 0.33333333333333 0.66666666666667 0.42837968229757 15.999 > 10 27 O 0.66666666666667 0.33333333333333 0.57162031770243 15.999 > 11 28 O 0.00000000000000 0.00000000000000 0.57373530174790 15.999 > 12 29 O 0.00000000000000 0.00000000000000 0.42626469825210 15.999 > 13 30 O 0.04511565605128 0.38572802291906 0.62623378043818 15.999 > 14 31 O 0.34061236686778 0.95488434394872 0.62623378043818 15.999 > 15 32 O 0.61427197708094 0.65938763313222 0.62623378043818 15.999 > 16 33 O 0.98713164666841 0.71197161862216 0.86392705661968 15.999 > 1 34 O 0.28802838137784 0.27516002804625 0.86392705661968 15.999 > 2 35 O 0.72483997195375 0.01286835333159 0.86392705661968 15.999 > 3 36 O 0.34620168666493 0.95469504804451 0.80273961004698 15.999 > 4 37 O 0.04530495195549 0.39150663862041 0.80273961004698 15.999 > 5 38 O 0.60849336137959 0.65379831333508 0.80273961004698 15.999 > 6 39 O 0.05239468958572 0.67394570020111 0.70709955289515 15.999 > 7 40 O 0.32605429979889 0.37844898938461 0.70709955289515 15.999 > 8 41 O 0.62155101061539 0.94760531041428 0.70709955289515 15.999 > 9 42 O 0.00000000000000 0.00000000000000 0.76171301563090 15.999 > 10 43 O 0.33333333333333 0.66666666666667 0.90495365103576 15.999 > 11 44 O 0.66666666666667 0.33333333333333 0.90706863508123 15.999 > 12 45 O 0.66666666666667 0.33333333333333 0.75959803158544 15.999 > 13 46 O 0.71178232271795 0.71906135625239 0.95956711377152 15.999 > 14 47 O 0.00727903353444 0.28821767728205 0.95956711377152 15.999 > 15 48 O 0.28093864374761 0.99272096646556 0.95956711377152 15.999 > 16 49 Ca 0.00000000000000 0.00000000000000 0.33331339832054 40.078 > 49 50 Ca 0.66666666666667 0.33333333333333 0.00001993501279 40.078 > 50 51 Ca 0.66666666666667 0.33333333333333 0.66664673165388 40.078 > 49 52 Ca 0.33333333333333 0.66666666666667 0.33335326834612 40.078 > 50 53 Ca 0.33333333333333 0.66666666666667 0.99998006498721 40.078 > 49 54 Ca 0.00000000000000 0.00000000000000 0.66668660167946 40.078 > 50 55 Hf 0.62822680520871 0.00156379212356 0.11425450030909 178.490 > 55 56 Hf 0.99843620787644 0.62666301308514 0.11425450030909 178.490 > 56 57 Hf 0.37333698691486 0.37177319479129 0.11425450030909 178.490 > 57 58 Hf 0.03843986145796 0.33176954120977 0.21907883302424 178.490 > 58 59 Hf 0.66823045879023 0.70667032024819 0.21907883302424 178.490 > 59 60 Hf 0.29332967975181 0.96156013854204 0.21907883302424 178.490 > 60 61 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 61 62 Hf 0.29489347187537 0.33489712545690 0.44758783364242 178.490 > 55 63 Hf 0.66510287454310 0.95999634641848 0.44758783364242 178.490 > 56 64 Hf 0.04000365358152 0.70510652812463 0.44758783364242 178.490 > 57 65 Hf 0.70510652812463 0.66510287454310 0.55241216635758 178.490 > 58 66 Hf 0.33489712545690 0.04000365358152 0.55241216635758 178.490 > 59 67 Hf 0.95999634641848 0.29489347187537 0.55241216635758 178.490 > 60 68 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 61 69 Hf 0.96156013854204 0.66823045879023 0.78092116697576 178.490 > 55 70 Hf 0.33176954120977 0.29332967975181 0.78092116697576 178.490 > 56 71 Hf 0.70667032024819 0.03843986145796 0.78092116697576 178.490 > 57 72 Hf 0.37177319479129 0.99843620787644 0.88574549969091 178.490 > 58 73 Hf 0.00156379212356 0.37333698691486 0.88574549969091 178.490 > 59 74 Hf 0.62666301308514 0.62822680520871 0.88574549969091 178.490 > 60 75 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5253619 0.0000013 0.0000000 -0.0000013 4.5253619 0.0000000 0.0000000 0.0000000 4.6123658 -------------------------- Born effective charges -------------------------- 1 O -2.8361139 -0.2943435 0.1062381 -0.2945206 -2.2938178 0.0126959 -0.0579584 0.0535364 -2.2696219 2 O -2.6843775 0.3821257 -0.0641141 0.3819486 -2.4455543 0.0856569 -0.0173847 -0.0769616 -2.2696219 3 O -2.1744062 -0.0875165 -0.0421240 -0.0876936 -2.9555255 -0.0983529 0.0753431 0.0234252 -2.2696219 4 O -2.8361139 -0.2943435 0.1062381 -0.2945206 -2.2938178 0.0126959 -0.0579584 0.0535364 -2.2696219 5 O -2.6843775 0.3821257 -0.0641141 0.3819486 -2.4455543 0.0856569 -0.0173847 -0.0769616 -2.2696219 6 O -2.1744062 -0.0875165 -0.0421240 -0.0876936 -2.9555255 -0.0983529 0.0753431 0.0234252 -2.2696219 7 O -2.5990828 0.0418523 1.0188323 0.0313086 -1.6764195 0.0213389 1.1010180 0.0307860 -3.5233885 8 O -1.8754058 0.3865065 -0.5278962 0.3759629 -2.4000966 0.8716652 -0.5771705 0.9381166 -3.5233885 9 O -1.9387649 -0.4125433 -0.4909361 -0.4230870 -2.3367374 -0.8930041 -0.5238475 -0.9689026 -3.5233885 10 O -3.1380076 0.1689817 -0.0000000 -0.1689817 -3.1380076 0.0000000 0.0000000 0.0000000 -1.6508082 11 O -3.1380076 0.1689817 -0.0000000 -0.1689817 -3.1380076 0.0000000 0.0000000 0.0000000 -1.6508082 12 O -2.8817616 -0.1752612 -0.0000000 0.1752612 -2.8817616 0.0000000 0.0000000 0.0000000 -1.6885956 13 O -2.8817616 -0.1752612 -0.0000000 0.1752612 -2.8817616 0.0000000 0.0000000 0.0000000 -1.6885956 14 O -1.9387649 -0.4125433 -0.4909361 -0.4230870 -2.3367374 -0.8930041 -0.5238475 -0.9689026 -3.5233885 15 O -1.8754058 0.3865065 -0.5278962 0.3759629 -2.4000966 0.8716652 -0.5771705 0.9381166 -3.5233885 16 O -2.5990828 0.0418523 1.0188323 0.0313086 -1.6764195 0.0213389 1.1010180 0.0307860 -3.5233885 17 Ca 2.3291962 0.0014453 -0.0000000 -0.0014453 2.3291962 0.0000000 0.0000000 0.0000000 2.8358531 18 Ca 2.3291962 0.0014453 -0.0000000 -0.0014453 2.3291962 0.0000000 0.0000000 0.0000000 2.8358531 19 Hf 4.2556109 -0.1105255 -0.3473436 -0.1145316 5.7121873 -0.0692675 -0.2749192 0.0201521 5.0213658 20 Hf 5.2505906 0.6889834 0.2336592 0.6849773 4.7172076 -0.2661746 0.1200074 -0.2481631 5.0213658 21 Hf 5.4454958 -0.5724487 0.1136843 -0.5764549 4.5223024 0.3354421 0.1549119 0.2280110 5.0213658 22 Hf 4.2556109 -0.1105255 -0.3473436 -0.1145316 5.7121873 -0.0692675 -0.2749192 0.0201521 5.0213658 23 Hf 5.2505906 0.6889834 0.2336592 0.6849773 4.7172076 -0.2661746 0.1200074 -0.2481631 5.0213658 24 Hf 5.4454958 -0.5724487 0.1136843 -0.5764549 4.5223024 0.3354421 0.1549119 0.2280110 5.0213658 25 Hf 5.6940537 -0.0345127 -0.0000000 0.0345127 5.6940537 0.0000000 0.0000000 0.0000000 5.6369688 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 12, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:07:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.141994290569132 1.814031249452352 8.729792253333324 b -3.141994290569126 1.814031249452352 8.729792253333324 c 0.000000000000003 -3.628062498904710 8.729792253333324 Atomic positions (fractional): 1 O 0.85105870328809 0.58876702857343 0.15195543799753 15.999 2 O 0.15195543799753 0.85105870328809 0.58876702857343 15.999 3 O 0.58876702857343 0.15195543799753 0.85105870328809 15.999 4 O 0.14894129671191 0.41123297142657 0.84804456200247 15.999 5 O 0.84804456200247 0.14894129671191 0.41123297142657 15.999 6 O 0.41123297142657 0.84804456200247 0.14894129671191 15.999 7 O 0.75949424248087 0.32865056351054 0.03315385269404 15.999 8 O 0.03315385269404 0.75949424248087 0.32865056351054 15.999 9 O 0.32865056351054 0.03315385269404 0.75949424248087 15.999 10 O 0.76171301563090 0.76171301563090 0.76171301563090 15.999 11 O 0.23828698436910 0.23828698436910 0.23828698436910 15.999 12 O 0.57373530174790 0.57373530174790 0.57373530174790 15.999 13 O 0.42626469825210 0.42626469825211 0.42626469825210 15.999 14 O 0.67134943648946 0.96684614730596 0.24050575751913 15.999 15 O 0.96684614730596 0.24050575751913 0.67134943648946 15.999 16 O 0.24050575751913 0.67134943648946 0.96684614730596 15.999 17 Ca 0.33331339832054 0.33331339832054 0.33331339832054 40.078 18 Ca 0.66668660167946 0.66668660167946 0.66668660167946 40.078 19 Hf 0.74248130551780 0.48759148722395 0.11269070818553 178.490 20 Hf 0.11269070818553 0.74248130551780 0.48759148722395 178.490 21 Hf 0.48759148722395 0.11269070818553 0.74248130551780 178.490 22 Hf 0.25751869448221 0.51240851277605 0.88730929181447 178.490 23 Hf 0.88730929181447 0.25751869448221 0.51240851277605 178.490 24 Hf 0.51240851277605 0.88730929181447 0.25751869448220 178.490 25 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.283988581138259 0.000000000000000 0.000000000000000 b -3.141994290569130 5.442093748357062 0.000000000000000 c 0.000000000000000 0.000000000000000 26.189376759999998 Atomic positions (fractional): 1 O 0.65379831333508 0.04530495195549 0.19726038995302 15.999 > 1 2 O 0.95469504804451 0.60849336137959 0.19726038995302 15.999 > 2 3 O 0.39150663862041 0.34620168666493 0.19726038995302 15.999 > 3 4 O 0.01286835333159 0.28802838137784 0.13607294338032 15.999 > 4 5 O 0.71197161862216 0.72483997195375 0.13607294338032 15.999 > 5 6 O 0.27516002804625 0.98713164666841 0.13607294338032 15.999 > 6 7 O 0.71906135625239 0.00727903353444 0.04043288622849 15.999 > 7 8 O 0.99272096646556 0.71178232271795 0.04043288622849 15.999 > 8 9 O 0.28821767728205 0.28093864374761 0.04043288622849 15.999 > 9 10 O 0.66666666666667 0.33333333333333 0.09504634896424 15.999 > 10 11 O 0.00000000000000 0.00000000000000 0.23828698436910 15.999 > 11 12 O 0.33333333333333 0.66666666666667 0.24040196841456 15.999 > 12 13 O 0.33333333333333 0.66666666666667 0.09293136491877 15.999 > 13 14 O 0.37844898938461 0.05239468958572 0.29290044710485 15.999 > 14 15 O 0.67394570020111 0.62155101061539 0.29290044710485 15.999 > 15 16 O 0.94760531041428 0.32605429979889 0.29290044710485 15.999 > 16 17 O 0.32046498000174 0.37863828528882 0.53059372328635 15.999 > 1 18 O 0.62136171471118 0.94182669471292 0.53059372328635 15.999 > 2 19 O 0.05817330528708 0.67953501999826 0.53059372328635 15.999 > 3 20 O 0.67953501999826 0.62136171471118 0.46940627671365 15.999 > 4 21 O 0.37863828528882 0.05817330528708 0.46940627671365 15.999 > 5 22 O 0.94182669471292 0.32046498000174 0.46940627671365 15.999 > 6 23 O 0.38572802291906 0.34061236686778 0.37376621956182 15.999 > 7 24 O 0.65938763313222 0.04511565605128 0.37376621956182 15.999 > 8 25 O 0.95488434394872 0.61427197708094 0.37376621956182 15.999 > 9 26 O 0.33333333333333 0.66666666666667 0.42837968229757 15.999 > 10 27 O 0.66666666666667 0.33333333333333 0.57162031770243 15.999 > 11 28 O 0.00000000000000 0.00000000000000 0.57373530174790 15.999 > 12 29 O 0.00000000000000 0.00000000000000 0.42626469825210 15.999 > 13 30 O 0.04511565605128 0.38572802291906 0.62623378043818 15.999 > 14 31 O 0.34061236686778 0.95488434394872 0.62623378043818 15.999 > 15 32 O 0.61427197708094 0.65938763313222 0.62623378043818 15.999 > 16 33 O 0.98713164666841 0.71197161862216 0.86392705661968 15.999 > 1 34 O 0.28802838137784 0.27516002804625 0.86392705661968 15.999 > 2 35 O 0.72483997195375 0.01286835333159 0.86392705661968 15.999 > 3 36 O 0.34620168666493 0.95469504804451 0.80273961004698 15.999 > 4 37 O 0.04530495195549 0.39150663862041 0.80273961004698 15.999 > 5 38 O 0.60849336137959 0.65379831333508 0.80273961004698 15.999 > 6 39 O 0.05239468958572 0.67394570020111 0.70709955289515 15.999 > 7 40 O 0.32605429979889 0.37844898938461 0.70709955289515 15.999 > 8 41 O 0.62155101061539 0.94760531041428 0.70709955289515 15.999 > 9 42 O 0.00000000000000 0.00000000000000 0.76171301563090 15.999 > 10 43 O 0.33333333333333 0.66666666666667 0.90495365103576 15.999 > 11 44 O 0.66666666666667 0.33333333333333 0.90706863508123 15.999 > 12 45 O 0.66666666666667 0.33333333333333 0.75959803158544 15.999 > 13 46 O 0.71178232271795 0.71906135625239 0.95956711377152 15.999 > 14 47 O 0.00727903353444 0.28821767728205 0.95956711377152 15.999 > 15 48 O 0.28093864374761 0.99272096646556 0.95956711377152 15.999 > 16 49 Ca 0.00000000000000 0.00000000000000 0.33331339832054 40.078 > 49 50 Ca 0.66666666666667 0.33333333333333 0.00001993501279 40.078 > 50 51 Ca 0.66666666666667 0.33333333333333 0.66664673165388 40.078 > 49 52 Ca 0.33333333333333 0.66666666666667 0.33335326834612 40.078 > 50 53 Ca 0.33333333333333 0.66666666666667 0.99998006498721 40.078 > 49 54 Ca 0.00000000000000 0.00000000000000 0.66668660167946 40.078 > 50 55 Hf 0.62822680520871 0.00156379212356 0.11425450030909 178.490 > 55 56 Hf 0.99843620787644 0.62666301308514 0.11425450030909 178.490 > 56 57 Hf 0.37333698691486 0.37177319479129 0.11425450030909 178.490 > 57 58 Hf 0.03843986145796 0.33176954120977 0.21907883302424 178.490 > 58 59 Hf 0.66823045879023 0.70667032024819 0.21907883302424 178.490 > 59 60 Hf 0.29332967975181 0.96156013854204 0.21907883302424 178.490 > 60 61 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 61 62 Hf 0.29489347187537 0.33489712545690 0.44758783364242 178.490 > 55 63 Hf 0.66510287454310 0.95999634641848 0.44758783364242 178.490 > 56 64 Hf 0.04000365358152 0.70510652812463 0.44758783364242 178.490 > 57 65 Hf 0.70510652812463 0.66510287454310 0.55241216635758 178.490 > 58 66 Hf 0.33489712545690 0.04000365358152 0.55241216635758 178.490 > 59 67 Hf 0.95999634641848 0.29489347187537 0.55241216635758 178.490 > 60 68 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 61 69 Hf 0.96156013854204 0.66823045879023 0.78092116697576 178.490 > 55 70 Hf 0.33176954120977 0.29332967975181 0.78092116697576 178.490 > 56 71 Hf 0.70667032024819 0.03843986145796 0.78092116697576 178.490 > 57 72 Hf 0.37177319479129 0.99843620787644 0.88574549969091 178.490 > 58 73 Hf 0.00156379212356 0.37333698691486 0.88574549969091 178.490 > 59 74 Hf 0.62666301308514 0.62822680520871 0.88574549969091 178.490 > 60 75 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5253619 0.0000013 0.0000000 -0.0000013 4.5253619 0.0000000 0.0000000 0.0000000 4.6123658 -------------------------- Born effective charges -------------------------- 1 O -2.8361139 -0.2943435 0.1062381 -0.2945206 -2.2938178 0.0126959 -0.0579584 0.0535364 -2.2696219 2 O -2.6843775 0.3821257 -0.0641141 0.3819486 -2.4455543 0.0856569 -0.0173847 -0.0769616 -2.2696219 3 O -2.1744062 -0.0875165 -0.0421240 -0.0876936 -2.9555255 -0.0983529 0.0753431 0.0234252 -2.2696219 4 O -2.8361139 -0.2943435 0.1062381 -0.2945206 -2.2938178 0.0126959 -0.0579584 0.0535364 -2.2696219 5 O -2.6843775 0.3821257 -0.0641141 0.3819486 -2.4455543 0.0856569 -0.0173847 -0.0769616 -2.2696219 6 O -2.1744062 -0.0875165 -0.0421240 -0.0876936 -2.9555255 -0.0983529 0.0753431 0.0234252 -2.2696219 7 O -2.5990828 0.0418523 1.0188323 0.0313086 -1.6764195 0.0213389 1.1010180 0.0307860 -3.5233885 8 O -1.8754058 0.3865065 -0.5278962 0.3759629 -2.4000966 0.8716652 -0.5771705 0.9381166 -3.5233885 9 O -1.9387649 -0.4125433 -0.4909361 -0.4230870 -2.3367374 -0.8930041 -0.5238475 -0.9689026 -3.5233885 10 O -3.1380076 0.1689817 -0.0000000 -0.1689817 -3.1380076 0.0000000 0.0000000 0.0000000 -1.6508082 11 O -3.1380076 0.1689817 -0.0000000 -0.1689817 -3.1380076 0.0000000 0.0000000 0.0000000 -1.6508082 12 O -2.8817616 -0.1752612 -0.0000000 0.1752612 -2.8817616 0.0000000 0.0000000 0.0000000 -1.6885956 13 O -2.8817616 -0.1752612 -0.0000000 0.1752612 -2.8817616 0.0000000 0.0000000 0.0000000 -1.6885956 14 O -1.9387649 -0.4125433 -0.4909361 -0.4230870 -2.3367374 -0.8930041 -0.5238475 -0.9689026 -3.5233885 15 O -1.8754058 0.3865065 -0.5278962 0.3759629 -2.4000966 0.8716652 -0.5771705 0.9381166 -3.5233885 16 O -2.5990828 0.0418523 1.0188323 0.0313086 -1.6764195 0.0213389 1.1010180 0.0307860 -3.5233885 17 Ca 2.3291962 0.0014453 -0.0000000 -0.0014453 2.3291962 0.0000000 0.0000000 0.0000000 2.8358531 18 Ca 2.3291962 0.0014453 -0.0000000 -0.0014453 2.3291962 0.0000000 0.0000000 0.0000000 2.8358531 19 Hf 4.2556109 -0.1105255 -0.3473436 -0.1145316 5.7121873 -0.0692675 -0.2749192 0.0201521 5.0213658 20 Hf 5.2505906 0.6889834 0.2336592 0.6849773 4.7172076 -0.2661746 0.1200074 -0.2481631 5.0213658 21 Hf 5.4454958 -0.5724487 0.1136843 -0.5764549 4.5223024 0.3354421 0.1549119 0.2280110 5.0213658 22 Hf 4.2556109 -0.1105255 -0.3473436 -0.1145316 5.7121873 -0.0692675 -0.2749192 0.0201521 5.0213658 23 Hf 5.2505906 0.6889834 0.2336592 0.6849773 4.7172076 -0.2661746 0.1200074 -0.2481631 5.0213658 24 Hf 5.4454958 -0.5724487 0.1136843 -0.5764549 4.5223024 0.3354421 0.1549119 0.2280110 5.0213658 25 Hf 5.6940537 -0.0345127 -0.0000000 0.0345127 5.6940537 0.0000000 0.0000000 0.0000000 5.6369688 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 9 9 ] 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: 0.62, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 14.112 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 14.965 ( 0.000 0.000 0.000) 0.000 14.965 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 17.624 ( 0.000 0.000 0.000) 0.000 17.624 ( 0.000 0.000 0.000) 0.000 17.835 ( 0.000 0.000 0.000) 0.000 17.981 ( 0.000 0.000 0.000) 0.000 17.981 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 18.811 ( 0.000 0.000 0.000) 0.000 18.811 ( 0.000 0.000 0.000) 0.000 19.463 ( 0.000 0.000 0.000) 0.000 21.987 ( 0.000 0.000 0.000) 0.000 21.987 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 23.929 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 23.256 12.087 -1.169) 26.235 0.714 ( 29.175 16.051 5.513) 33.752 1.122 ( 42.391 25.943 18.165) 52.915 2.803 ( -5.510 -6.826 -11.505) 14.468 2.898 ( -1.840 0.470 1.523) 2.434 3.020 ( 0.906 5.372 -0.608) 5.481 3.053 ( 4.307 0.086 7.178) 8.372 3.340 ( -4.194 -5.050 0.351) 6.573 3.419 ( -8.784 0.483 -4.404) 9.838 3.555 ( 0.883 -4.377 5.226) 6.873 3.931 ( -0.761 4.202 0.450) 4.294 4.003 ( 7.557 2.082 -0.974) 7.899 4.055 ( 6.374 2.499 -3.489) 7.684 4.595 ( 7.238 4.477 0.316) 8.516 4.808 ( 0.421 -0.001 -2.503) 2.538 4.867 ( -2.386 -1.778 -2.605) 3.955 5.024 ( 3.911 2.030 6.646) 7.974 5.225 ( -0.168 -0.236 -7.090) 7.096 5.283 ( -2.195 1.044 1.641) 2.933 5.336 ( 2.361 -0.343 2.520) 3.470 5.722 ( -2.859 -0.493 0.060) 2.902 5.783 ( -1.092 -2.420 -0.977) 2.829 5.856 ( 2.264 1.749 1.713) 3.334 5.989 ( 4.031 2.285 0.249) 4.640 6.048 ( 0.777 1.377 -0.421) 1.636 6.141 ( -1.623 -1.377 -4.357) 4.849 6.714 ( -7.284 -3.581 9.646) 12.606 6.780 ( -0.064 -0.082 -0.971) 0.977 7.287 ( -9.660 -5.205 2.575) 11.270 7.776 ( -2.111 -6.714 -6.902) 9.858 7.920 ( -15.262 -7.434 -1.402) 17.034 8.102 ( -3.808 3.785 -0.321) 5.378 8.693 ( 9.290 0.734 -6.773) 11.520 8.729 ( 1.610 8.282 2.389) 8.769 8.891 ( 2.698 -1.271 4.405) 5.319 8.988 ( 6.585 2.747 6.314) 9.528 9.202 ( 3.285 6.300 -8.055) 10.741 9.284 ( 0.948 0.248 3.296) 3.439 9.661 ( 3.031 0.985 -0.401) 3.213 9.877 ( -1.829 -1.680 -3.403) 4.213 10.099 ( 0.387 0.762 -11.286) 11.319 10.861 ( -1.387 -8.903 -12.420) 15.344 11.280 ( -16.560 -1.142 19.253) 25.421 11.349 ( -4.747 -5.513 -0.270) 7.280 11.479 ( -7.991 -0.280 -2.753) 8.456 11.524 ( -2.794 -4.105 1.734) 5.260 11.616 ( 3.826 0.821 0.062) 3.913 11.896 ( 1.465 -0.762 -0.731) 1.806 12.152 ( 7.290 4.784 -10.659) 13.771 12.275 ( 7.325 8.462 8.857) 14.272 13.174 ( 5.110 0.758 5.464) 7.519 13.595 ( 3.863 2.377 0.347) 4.549 13.682 ( -2.771 -1.591 1.127) 3.388 14.081 ( -2.663 -1.510 -1.556) 3.434 14.218 ( -10.034 -7.987 -0.378) 12.831 14.685 ( -3.718 -2.007 -0.218) 4.231 14.810 ( -11.294 -6.923 3.100) 13.605 15.082 ( 6.544 11.496 -10.063) 16.620 16.023 ( 3.356 8.344 -5.178) 10.378 16.475 ( 11.476 -8.554 19.846) 24.469 17.208 ( -24.152 -11.867 0.119) 26.910 17.419 ( -19.579 -9.746 -0.008) 21.871 17.947 ( 6.440 1.403 1.317) 6.721 18.068 ( 1.956 1.037 -0.321) 2.237 18.333 ( 17.170 7.499 -2.346) 18.882 18.658 ( -6.723 -4.280 -2.010) 8.220 18.930 ( 10.993 19.562 -2.220) 22.549 18.975 ( 18.700 2.566 0.578) 18.884 19.624 ( 15.606 13.644 -16.065) 26.226 20.961 ( -7.532 -10.822 31.696) 34.329 21.925 ( -5.399 -1.675 -3.018) 6.408 22.118 ( -4.369 -6.017 2.802) 7.946 22.289 ( -0.442 -4.543 -3.269) 5.614 22.366 ( -0.626 6.514 1.406) 6.693 23.842 ( -6.986 -4.021 -0.991) 8.121 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 21.762 11.367 -2.855) 24.718 1.390 ( 26.723 14.039 4.466) 30.515 2.122 ( 30.757 20.749 12.524) 39.158 2.563 ( -3.496 -7.202 -4.515) 9.191 2.878 ( -4.234 3.671 3.418) 6.564 2.987 ( -2.164 -6.943 -9.866) 12.256 3.141 ( -3.075 2.763 8.073) 9.070 3.282 ( 0.201 4.609 -1.058) 4.733 3.347 ( 3.323 0.510 2.392) 4.126 3.627 ( 7.084 0.005 3.612) 7.951 3.936 ( -1.341 -0.335 0.186) 1.394 4.107 ( 0.873 6.148 -2.838) 6.827 4.189 ( 9.327 -1.254 -1.002) 9.464 4.724 ( -4.423 -4.497 -5.073) 8.094 4.748 ( 2.993 1.075 -3.472) 4.708 4.863 ( 2.253 3.559 0.097) 4.213 5.099 ( -2.456 -3.557 1.873) 4.711 5.204 ( 4.519 3.057 4.755) 7.237 5.299 ( 2.170 2.283 -4.914) 5.837 5.442 ( 5.318 3.372 1.853) 6.564 5.629 ( -5.556 -0.613 -3.400) 6.543 5.749 ( 0.332 -2.805 1.077) 3.023 5.892 ( -1.726 0.181 -0.860) 1.937 6.020 ( -0.292 -1.473 -1.727) 2.289 6.069 ( -1.020 1.053 -2.023) 2.498 6.188 ( 7.843 3.378 1.451) 8.662 6.475 ( -15.707 -8.761 4.501) 18.540 6.746 ( -2.875 -1.074 -2.714) 4.097 7.010 ( -11.743 -5.342 4.664) 13.718 7.634 ( 0.247 -10.470 -5.381) 11.774 7.715 ( -6.642 2.650 -0.563) 7.173 8.123 ( -0.049 7.872 1.168) 7.958 8.759 ( -3.251 -0.166 -16.423) 16.742 8.840 ( 1.963 4.110 5.491) 7.134 8.966 ( 4.745 -4.605 4.255) 7.863 9.029 ( -2.710 6.415 0.101) 6.964 9.218 ( 10.614 0.488 11.023) 15.310 9.587 ( 7.080 11.570 1.407) 13.637 9.653 ( -1.549 -4.167 -0.136) 4.448 9.809 ( -0.540 -2.002 -5.090) 5.496 10.032 ( -3.994 -2.072 -1.839) 4.861 10.600 ( -3.203 -13.886 -22.071) 26.271 11.132 ( -13.078 0.142 22.691) 26.190 11.176 ( -10.644 -4.003 1.552) 11.477 11.300 ( -5.613 -1.218 -1.033) 5.836 11.495 ( 1.823 -1.282 0.299) 2.249 11.685 ( 2.407 3.040 -0.412) 3.899 11.976 ( 7.358 2.807 -2.061) 8.141 12.165 ( 1.008 -2.666 -5.620) 6.301 12.592 ( 7.610 13.394 3.735) 15.851 13.236 ( -1.181 -3.798 0.921) 4.083 13.653 ( 0.726 0.083 2.379) 2.489 13.715 ( 5.940 3.824 -1.436) 7.209 13.924 ( -8.801 -7.275 -1.734) 11.550 13.996 ( -6.797 -5.739 5.404) 10.409 14.521 ( -10.171 -4.780 -3.039) 11.642 14.595 ( -5.644 -4.912 5.609) 9.351 15.288 ( 7.338 12.245 -10.727) 17.856 16.036 ( -6.746 4.506 -1.594) 8.268 16.675 ( -19.282 -9.843 2.303) 21.772 16.791 ( 21.275 -11.504 4.865) 24.670 17.019 ( -15.268 -3.802 0.816) 15.756 18.047 ( -6.757 7.961 -5.880) 11.984 18.115 ( 12.101 -4.237 2.450) 13.054 18.459 ( -1.107 -12.416 0.572) 12.479 18.709 ( 8.645 18.045 3.119) 20.250 19.307 ( 15.407 11.787 -1.398) 19.449 19.483 ( 23.010 13.314 -1.685) 26.638 20.010 ( 14.555 16.847 -7.572) 23.516 20.838 ( -3.649 -14.485 23.137) 27.540 21.734 ( -10.467 -4.413 -5.917) 12.808 21.957 ( -8.430 -5.788 2.915) 10.633 22.191 ( -1.992 -7.398 -3.471) 8.412 22.430 ( 0.005 6.207 1.674) 6.429 23.609 ( -11.729 -6.718 -2.303) 13.711 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 14.657 9.048 -7.217) 18.675 1.930 ( 18.264 6.036 2.077) 19.347 2.290 ( 1.602 -3.104 -0.699) 3.563 2.737 ( -5.946 3.366 -1.633) 7.025 2.837 ( 0.304 -1.223 -3.125) 3.369 3.037 ( -10.385 2.146 7.742) 13.130 3.079 ( 17.205 6.490 10.480) 21.165 3.413 ( 7.042 8.851 2.101) 11.505 3.482 ( 7.386 -0.344 -1.867) 7.626 3.772 ( 0.619 5.036 -1.706) 5.353 3.945 ( 7.741 -1.765 3.165) 8.547 4.195 ( 5.600 2.519 1.791) 6.397 4.313 ( 3.134 3.659 -0.417) 4.835 4.568 ( -1.395 -6.420 -7.804) 10.201 4.780 ( 2.698 -2.514 3.769) 5.274 4.834 ( -6.335 0.929 -4.933) 8.082 5.070 ( 0.182 0.106 2.103) 2.114 5.306 ( -1.913 -1.726 5.917) 6.453 5.347 ( 3.598 1.040 -8.373) 9.172 5.522 ( -2.102 1.843 -2.146) 3.524 5.568 ( 3.040 1.664 -0.438) 3.493 5.726 ( -2.132 -2.468 -1.132) 3.452 5.757 ( -7.998 -2.587 -2.899) 8.892 5.983 ( -10.608 -7.221 -2.026) 12.991 6.042 ( -1.897 2.345 4.276) 5.233 6.115 ( 2.783 -3.570 2.844) 5.346 6.447 ( 7.826 4.263 -3.326) 9.512 6.626 ( -7.628 -1.223 -1.167) 7.813 6.875 ( -2.841 -0.619 3.989) 4.936 7.533 ( 1.546 -8.871 -3.601) 9.698 7.686 ( -2.546 5.947 3.404) 7.310 8.246 ( 0.959 9.491 -1.591) 9.672 8.527 ( -7.496 -4.488 -5.085) 10.109 8.884 ( -0.134 -3.479 4.410) 5.619 9.038 ( 4.587 -0.657 1.565) 4.891 9.179 ( 3.778 12.176 -1.318) 12.817 9.365 ( 1.493 -2.494 0.993) 3.072 9.556 ( -3.172 0.325 -1.807) 3.665 9.731 ( -2.285 -3.616 5.335) 6.838 9.784 ( 3.982 2.130 -2.399) 5.114 9.975 ( 0.953 -0.084 1.023) 1.401 10.351 ( -0.811 -10.598 -16.968) 20.022 10.890 ( -12.723 -7.913 0.486) 14.990 11.018 ( -8.736 1.272 16.473) 18.689 11.276 ( 0.486 1.352 -1.148) 1.839 11.533 ( -0.539 3.882 2.471) 4.633 11.792 ( 7.254 2.783 -1.723) 7.958 12.096 ( -3.405 0.605 1.116) 3.634 12.206 ( 14.593 2.844 -7.059) 16.459 12.807 ( 1.049 10.067 1.718) 10.266 13.058 ( -9.811 -7.668 -0.234) 12.454 13.553 ( -9.934 -10.429 -0.359) 14.408 13.754 ( -3.356 -4.458 -1.022) 5.673 13.863 ( 5.161 3.735 0.924) 6.438 13.932 ( 3.590 0.541 6.525) 7.467 14.333 ( -5.896 -1.015 -4.141) 7.276 14.484 ( -4.120 -4.362 4.785) 7.674 15.489 ( 7.141 11.133 -11.684) 17.648 15.910 ( -7.768 -3.075 4.303) 9.397 16.276 ( -15.411 -5.269 -0.243) 16.289 16.690 ( -8.367 -6.547 -1.264) 10.699 17.179 ( 19.309 -4.431 4.527) 20.322 17.936 ( -10.103 6.517 -9.899) 15.573 18.271 ( 11.996 -9.352 -5.293) 16.105 18.374 ( -4.523 1.938 13.411) 14.286 19.103 ( 15.080 14.329 4.973) 21.388 19.662 ( 12.460 8.599 -1.251) 15.191 19.939 ( 13.750 11.022 -5.897) 18.583 20.368 ( 9.479 14.717 -5.841) 18.455 20.795 ( 5.235 -12.346 23.519) 27.073 21.431 ( -13.673 -6.044 -6.383) 16.255 21.732 ( -10.384 -5.541 -1.536) 11.870 22.045 ( -4.347 -7.515 -1.461) 8.803 22.521 ( 3.020 5.367 2.319) 6.581 23.298 ( -12.993 -7.449 -3.454) 15.369 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 1.685 2.726 -5.895) 6.710 2.195 ( 15.506 -4.856 1.317) 16.302 2.361 ( -6.210 6.082 4.238) 9.670 2.659 ( -1.693 0.270 -5.055) 5.338 2.817 ( 6.285 -2.555 -4.029) 7.891 2.926 ( -8.942 2.942 6.555) 11.471 3.326 ( 1.307 5.555 7.865) 9.717 3.515 ( 1.971 -5.396 -5.477) 7.937 3.679 ( 9.401 -0.051 3.230) 9.941 3.759 ( -4.445 7.224 -2.056) 8.727 4.092 ( 3.707 0.735 -0.074) 3.780 4.346 ( 0.465 -0.251 -2.467) 2.523 4.401 ( 5.975 3.573 4.769) 8.438 4.579 ( 8.457 0.988 5.472) 10.121 4.716 ( -3.654 2.437 -9.676) 10.626 4.852 ( 6.525 -2.183 3.817) 7.869 5.040 ( -7.117 -4.494 4.232) 9.421 5.174 ( -4.306 0.124 -1.950) 4.728 5.280 ( -5.633 -3.631 -4.769) 8.226 5.528 ( -3.572 -2.617 -3.648) 5.737 5.554 ( 0.825 1.231 -0.223) 1.499 5.604 ( -4.103 0.335 -0.556) 4.154 5.671 ( 0.718 -0.922 0.171) 1.181 5.834 ( -1.018 -1.620 -0.005) 1.913 6.075 ( 0.505 1.435 2.728) 3.124 6.242 ( 8.611 0.662 3.138) 9.189 6.428 ( -8.498 -1.040 -4.281) 9.572 6.560 ( 0.463 0.445 -0.572) 0.860 6.903 ( 1.803 1.703 1.377) 2.837 7.474 ( 0.498 -3.797 -1.400) 4.077 7.761 ( 1.780 4.533 3.525) 6.012 8.171 ( -6.689 -1.537 -4.527) 8.222 8.559 ( 4.784 6.224 2.481) 8.233 8.805 ( -2.441 -7.359 0.608) 7.777 9.102 ( 1.495 0.710 2.510) 3.007 9.277 ( -4.283 -1.366 -4.151) 6.119 9.343 ( 3.174 6.472 -1.522) 7.367 9.523 ( -1.953 2.970 -1.170) 3.743 9.708 ( 2.668 -7.638 10.453) 13.218 9.805 ( -1.167 -0.275 -6.882) 6.985 10.030 ( 2.126 3.279 -1.152) 4.074 10.242 ( 1.240 -3.353 -3.721) 5.160 10.626 ( -7.554 -4.897 0.575) 9.021 10.994 ( -2.049 1.294 6.141) 6.602 11.295 ( 1.141 -0.100 -1.336) 1.760 11.565 ( -1.373 3.627 1.750) 4.255 11.944 ( 5.985 0.346 -2.354) 6.440 12.052 ( -0.297 0.025 1.087) 1.127 12.495 ( 10.212 7.453 -1.440) 12.724 12.753 ( -4.848 -5.302 -4.451) 8.451 12.908 ( -6.090 2.697 4.045) 7.793 13.256 ( -7.278 -8.723 0.139) 11.361 13.673 ( -1.084 -2.047 0.149) 2.321 13.981 ( 2.889 2.389 0.735) 3.820 14.061 ( 4.709 1.627 2.458) 5.555 14.226 ( -4.006 -0.468 -2.971) 5.009 14.413 ( -1.481 -2.067 2.269) 3.408 15.662 ( 5.328 12.243 -16.843) 21.493 15.778 ( -3.359 -10.907 16.239) 19.848 16.026 ( -8.055 -0.706 -2.284) 8.402 16.541 ( -3.000 -1.985 -0.536) 3.637 17.440 ( 12.036 -3.969 3.751) 13.218 17.769 ( -9.044 3.898 -6.643) 11.879 18.304 ( 2.885 -3.821 -1.105) 4.914 18.413 ( -0.432 2.139 4.539) 5.036 19.521 ( 12.778 7.756 5.189) 15.823 19.879 ( 4.444 4.050 -0.356) 6.023 20.076 ( -1.150 1.626 -6.332) 6.638 20.567 ( 3.452 3.875 0.191) 5.193 20.964 ( 9.068 -1.597 12.152) 15.246 21.155 ( -7.368 -2.290 -4.052) 8.715 21.495 ( -7.698 -3.615 -3.978) 9.389 21.903 ( -3.150 -3.766 -0.218) 4.915 22.669 ( 5.766 4.546 2.677) 7.815 23.002 ( -9.568 -5.644 -3.197) 11.559 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -8.458 24.991 3.583) 26.626 0.779 ( 5.534 31.249 14.278) 34.799 1.196 ( 0.902 44.703 27.310) 52.393 2.799 ( -3.080 -1.569 -11.465) 11.975 2.905 ( -0.129 -4.469 -7.929) 9.102 2.946 ( 2.254 -0.935 5.562) 6.073 3.091 ( 1.365 3.777 5.632) 6.918 3.345 ( -1.967 -5.144 1.111) 5.618 3.499 ( -2.319 -6.674 3.341) 7.816 3.502 ( 3.758 -0.886 1.295) 4.073 3.881 ( -1.859 0.368 -7.028) 7.279 3.976 ( 2.863 6.092 -4.273) 7.973 4.082 ( -1.553 8.448 0.080) 8.590 4.601 ( -0.139 8.390 1.298) 8.491 4.800 ( 0.277 0.797 -4.369) 4.449 4.938 ( -1.563 -0.037 7.379) 7.543 4.974 ( 1.042 1.579 0.044) 1.892 5.216 ( -0.078 2.947 -8.468) 8.966 5.281 ( 0.039 -3.097 1.620) 3.495 5.327 ( 0.460 0.651 1.895) 2.055 5.753 ( 0.888 -2.631 2.206) 3.546 5.789 ( -2.913 -2.345 0.347) 3.755 5.847 ( 1.265 3.157 0.865) 3.509 5.987 ( -0.016 4.392 -0.143) 4.395 6.039 ( 1.317 0.914 -2.111) 2.651 6.119 ( -0.448 -0.535 -6.009) 6.050 6.755 ( 0.941 -10.900 12.526) 16.631 6.777 ( -0.198 -1.221 -0.155) 1.247 7.307 ( 0.858 -11.202 5.624) 12.564 7.811 ( -4.788 -3.876 -1.489) 6.337 7.901 ( -6.602 -16.061 -4.541) 17.949 8.067 ( 13.693 1.001 -6.677) 15.267 8.633 ( -6.473 2.156 -3.946) 7.882 8.804 ( -1.980 8.721 3.103) 9.466 8.867 ( 22.462 1.450 -1.255) 22.543 8.945 ( -7.730 5.140 -0.343) 9.290 9.204 ( -0.287 -5.066 -6.236) 8.040 9.263 ( -1.950 14.007 2.503) 14.362 9.642 ( -0.588 5.224 -1.526) 5.474 9.920 ( -1.018 -0.399 3.028) 3.219 10.047 ( 0.424 4.812 -14.677) 15.452 10.860 ( -9.513 -7.612 -13.047) 17.851 11.241 ( 2.206 -13.601 9.147) 16.538 11.347 ( 4.266 -8.010 -0.389) 9.084 11.489 ( 3.123 -8.111 3.818) 9.493 11.569 ( -1.778 -4.847 3.606) 6.298 11.595 ( -1.053 3.845 -2.047) 4.482 11.909 ( 0.603 0.859 1.204) 1.597 12.154 ( 0.130 13.023 -8.586) 15.599 12.301 ( 3.760 8.371 10.888) 14.239 13.184 ( -3.547 1.645 6.447) 7.540 13.592 ( 0.152 3.351 -0.170) 3.359 13.676 ( 0.108 -3.568 0.235) 3.578 14.065 ( 0.127 -3.789 -3.583) 5.216 14.223 ( -2.913 -8.596 0.630) 9.098 14.681 ( 0.645 -5.891 -0.491) 5.947 14.783 ( 3.425 -12.255 -1.534) 12.817 15.041 ( 8.976 10.032 -11.067) 17.427 16.088 ( 0.148 14.839 -0.412) 14.845 16.545 ( -13.861 -7.048 27.723) 31.786 17.225 ( 3.060 -25.320 2.710) 25.648 17.410 ( 1.703 -21.830 -1.328) 21.937 17.911 ( -1.858 3.709 -3.588) 5.485 18.069 ( -1.122 2.627 -0.465) 2.894 18.303 ( -7.519 18.628 -5.665) 20.872 18.696 ( 11.518 -4.176 2.778) 12.563 18.940 ( -7.242 22.159 -1.604) 23.368 18.971 ( 5.422 13.683 0.460) 14.726 19.535 ( 6.134 27.682 -21.463) 35.561 21.098 ( -8.743 -23.533 41.425) 48.438 21.962 ( 3.530 -3.483 2.741) 5.666 22.075 ( -7.553 -6.979 -3.744) 10.944 22.279 ( 0.266 -3.049 -3.160) 4.399 22.388 ( 4.694 1.879 3.077) 5.919 23.836 ( 0.022 -8.254 -1.660) 8.419 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 13.073 22.003 -6.897) 26.507 1.276 ( 11.277 25.513 15.405) 31.866 1.993 ( 22.995 34.113 21.195) 46.278 2.586 ( -9.184 -4.224 -8.798) 13.401 2.834 ( 1.315 -4.973 -9.972) 11.220 3.020 ( 1.538 -2.738 6.966) 7.641 3.179 ( -1.558 -0.134 3.714) 4.030 3.242 ( 3.164 2.684 1.889) 4.559 3.488 ( -7.144 5.600 -0.331) 9.083 3.509 ( 4.385 -2.966 7.008) 8.782 3.935 ( 7.054 -1.538 -8.286) 10.991 4.013 ( 2.318 2.765 -0.476) 3.640 4.156 ( -0.289 7.071 -3.263) 7.793 4.714 ( 1.241 1.591 -1.943) 2.802 4.789 ( -1.216 4.497 -4.509) 6.483 4.854 ( -2.647 1.202 1.095) 3.107 5.106 ( 2.287 -0.448 4.312) 4.901 5.165 ( 1.024 -0.914 -0.451) 1.445 5.311 ( -0.131 3.442 -4.123) 5.373 5.377 ( 4.749 2.877 1.937) 5.881 5.700 ( -3.690 -1.673 -1.050) 4.186 5.720 ( -1.495 -3.431 0.777) 3.823 5.911 ( 1.061 3.025 0.407) 3.232 5.991 ( -1.119 -3.576 -5.125) 6.349 6.090 ( -0.419 0.688 -0.910) 1.215 6.121 ( 5.095 6.462 0.058) 8.229 6.607 ( -8.363 -14.418 7.902) 18.446 6.759 ( -0.799 -0.838 -2.014) 2.323 7.133 ( -7.413 -12.782 7.085) 16.387 7.586 ( -7.146 -5.712 -5.470) 10.659 7.773 ( 0.706 -0.756 -3.650) 3.794 8.262 ( 3.390 4.956 1.680) 6.235 8.504 ( 0.011 -1.942 -5.776) 6.094 8.852 ( -0.591 -5.849 -6.195) 8.541 8.971 ( 4.689 5.602 9.021) 11.608 9.102 ( 0.063 0.864 0.988) 1.314 9.315 ( -2.630 12.171 3.369) 12.900 9.381 ( 17.363 0.468 0.563) 17.378 9.685 ( -1.717 2.099 3.573) 4.486 9.863 ( -4.619 2.995 -1.587) 5.729 10.021 ( -0.768 -2.442 -7.932) 8.335 10.488 ( -9.645 -10.836 -17.667) 22.860 11.174 ( -1.795 -9.175 2.297) 9.627 11.339 ( 1.119 -8.700 10.335) 13.555 11.368 ( -5.522 -7.560 2.226) 9.623 11.533 ( -2.482 1.820 -0.147) 3.081 11.674 ( 6.621 6.856 -1.692) 9.680 11.882 ( -4.096 0.754 0.534) 4.199 12.187 ( -1.839 4.155 -2.254) 5.072 12.598 ( 9.066 10.527 9.467) 16.812 13.189 ( 0.579 -0.977 -0.543) 1.259 13.639 ( 2.334 -0.800 -0.589) 2.537 13.681 ( 2.568 4.113 -1.504) 5.077 13.949 ( -6.088 -9.017 -2.129) 11.086 14.050 ( -5.473 -8.227 4.180) 10.729 14.577 ( -3.720 -7.920 -3.993) 9.618 14.677 ( -4.915 -8.903 5.062) 11.360 15.251 ( 6.837 11.264 -8.230) 15.536 16.288 ( 10.910 -14.686 12.354) 22.076 16.360 ( -10.751 21.554 -7.046) 25.096 16.874 ( -13.375 -18.873 2.837) 23.305 17.140 ( -7.748 -16.006 4.618) 18.372 17.933 ( 4.262 4.287 -13.470) 14.764 18.200 ( 8.834 -6.109 3.164) 11.197 18.264 ( -6.439 11.020 1.447) 12.845 19.008 ( -2.757 20.100 0.682) 20.300 19.042 ( 17.013 5.919 4.024) 18.457 19.359 ( 13.396 22.483 -1.957) 26.244 19.957 ( 13.329 24.252 -7.351) 28.634 20.813 ( -8.174 -21.395 22.699) 32.246 21.828 ( -8.629 -6.249 -3.717) 11.284 21.995 ( -0.031 -5.696 3.222) 6.544 22.171 ( -4.893 -4.286 -4.864) 8.123 22.461 ( 1.614 0.008 3.116) 3.509 23.668 ( -6.265 -11.064 -2.989) 13.061 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 14.988 17.040 -10.501) 25.005 1.778 ( 12.250 15.717 9.885) 22.244 2.292 ( -5.805 -0.510 -4.218) 7.194 2.679 ( 6.541 -7.737 -5.687) 11.619 2.868 ( 10.537 13.163 11.831) 20.598 2.983 ( -2.855 4.400 0.040) 5.245 3.281 ( -0.510 -5.251 5.558) 7.663 3.317 ( 2.603 9.356 10.774) 14.505 3.457 ( 1.429 8.133 -1.470) 8.388 3.658 ( 10.026 0.888 4.921) 11.204 3.919 ( -0.089 0.423 -5.560) 5.577 4.167 ( 4.080 2.910 -1.258) 5.167 4.213 ( 5.678 4.032 -2.312) 7.338 4.588 ( -7.171 -2.047 -1.191) 7.552 4.776 ( -1.850 1.342 -3.767) 4.406 4.945 ( -1.309 3.588 -0.541) 3.858 5.019 ( 0.730 -3.154 -2.442) 4.055 5.268 ( 4.024 0.919 -0.847) 4.214 5.343 ( 0.420 2.341 3.057) 3.874 5.499 ( 3.248 0.068 -2.024) 3.828 5.590 ( -4.195 0.393 -3.901) 5.741 5.689 ( 1.687 -3.520 0.815) 3.987 5.833 ( -6.261 -3.523 -5.426) 9.003 6.003 ( 3.324 2.237 -0.365) 4.023 6.064 ( -2.725 -3.657 1.316) 4.747 6.218 ( -9.148 -4.491 5.940) 11.795 6.368 ( 2.862 2.167 -0.447) 3.617 6.705 ( -2.964 -1.603 -1.909) 3.873 6.938 ( -5.609 -6.883 5.349) 10.365 7.453 ( -1.275 -3.368 -2.260) 4.252 7.795 ( -0.558 4.721 -0.024) 4.754 8.342 ( -1.360 9.684 1.667) 9.920 8.488 ( 1.821 -8.149 -10.900) 13.730 8.710 ( 2.020 -9.303 0.159) 9.521 9.136 ( -1.393 6.066 8.800) 10.778 9.241 ( 8.144 2.018 1.402) 8.507 9.268 ( -2.612 0.803 -0.830) 2.855 9.599 ( -6.356 -4.807 1.825) 8.175 9.679 ( 9.124 3.051 1.916) 9.809 9.848 ( -2.757 3.900 0.942) 4.869 9.941 ( 1.192 -1.814 -5.224) 5.657 10.211 ( -3.956 -5.284 -15.325) 16.686 10.981 ( -8.001 -11.046 -0.572) 13.651 11.195 ( -6.988 -4.314 2.719) 8.651 11.321 ( -1.122 -3.230 10.089) 10.652 11.582 ( 1.857 6.249 3.986) 7.641 11.812 ( -3.936 3.454 1.179) 5.367 11.923 ( 12.175 6.470 -8.099) 15.990 12.188 ( -0.795 3.235 2.044) 3.908 12.831 ( 5.644 2.133 4.832) 7.730 13.107 ( -5.547 -6.560 -1.365) 8.699 13.639 ( -8.592 -2.841 -1.505) 9.174 13.723 ( 0.761 -4.908 -2.024) 5.363 13.810 ( 4.162 2.502 -0.991) 4.956 13.905 ( -1.902 -6.542 4.749) 8.305 14.388 ( -5.358 -5.796 -4.026) 8.861 14.536 ( -4.856 -6.080 6.593) 10.199 15.440 ( 5.843 10.093 -7.218) 13.715 16.096 ( -10.718 -5.899 -1.091) 12.283 16.493 ( -13.543 -3.090 -4.985) 14.758 16.565 ( 5.803 -7.551 2.727) 9.906 16.993 ( 3.407 -1.987 10.305) 11.034 18.003 ( 6.528 1.099 -17.504) 18.714 18.137 ( -6.887 3.086 1.033) 7.617 18.440 ( 5.827 4.860 12.517) 14.638 19.201 ( -1.132 22.952 4.000) 23.326 19.423 ( 18.691 2.566 -0.593) 18.875 19.815 ( 13.990 17.619 -4.751) 22.994 20.341 ( 8.471 13.137 -9.831) 18.466 20.662 ( 3.678 -12.311 25.574) 28.620 21.567 ( -11.083 -6.432 -6.092) 14.189 21.845 ( -9.985 -7.296 0.180) 12.368 22.051 ( -2.661 -3.947 0.709) 4.812 22.497 ( 2.757 -0.840 0.786) 2.988 23.387 ( -9.782 -11.805 -4.443) 15.962 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 7.218 13.252 -10.361) 18.305 1.956 ( 3.810 -4.224 2.792) 6.337 2.407 ( 9.419 10.616 3.633) 14.650 2.608 ( 1.465 -7.759 -2.759) 8.364 2.883 ( -10.465 5.730 -2.939) 12.287 3.092 ( -0.703 2.323 3.030) 3.882 3.236 ( 4.085 -11.007 2.458) 11.995 3.462 ( 0.269 4.055 6.270) 7.472 3.627 ( 3.272 5.252 2.897) 6.833 3.881 ( 2.174 9.427 0.409) 9.683 4.020 ( 9.187 5.734 -0.812) 10.860 4.221 ( 0.798 -3.792 2.084) 4.400 4.331 ( 8.916 3.302 0.749) 9.537 4.577 ( 1.689 7.258 3.812) 8.370 4.723 ( 0.189 -3.947 1.999) 4.429 4.854 ( -5.366 4.378 -8.093) 10.652 5.072 ( 1.116 -2.405 3.318) 4.247 5.231 ( -4.969 -5.938 -3.722) 8.591 5.319 ( -2.684 2.518 -4.154) 5.550 5.510 ( 3.919 -2.320 2.558) 5.223 5.574 ( -4.625 -1.266 -6.149) 7.797 5.651 ( -1.876 0.617 -4.806) 5.196 5.686 ( -2.191 -1.942 -1.283) 3.197 5.859 ( -7.644 -4.817 3.442) 9.669 6.110 ( 3.079 2.583 0.320) 4.032 6.154 ( 1.096 0.912 8.807) 8.922 6.478 ( 0.669 2.836 -4.739) 5.563 6.617 ( -4.226 -0.232 0.654) 4.283 6.852 ( 1.412 -5.104 1.573) 5.524 7.441 ( 1.355 1.519 0.647) 2.136 7.835 ( -1.471 4.573 3.506) 5.947 8.240 ( -7.708 -5.879 -10.002) 13.929 8.517 ( 5.422 3.907 3.411) 7.503 8.706 ( 3.596 -6.751 -0.501) 7.666 9.088 ( -0.813 -3.101 -2.813) 4.265 9.262 ( -4.171 -4.143 -6.358) 8.659 9.332 ( 4.033 -2.273 3.930) 6.073 9.514 ( 0.858 -2.094 7.043) 7.398 9.754 ( -1.823 3.269 5.820) 6.920 9.856 ( -2.378 4.079 -6.764) 8.249 10.016 ( 7.043 3.643 -2.064) 8.194 10.131 ( 1.032 3.197 -6.234) 7.082 10.706 ( -9.151 -9.597 -0.526) 13.271 11.067 ( -4.292 -2.264 -1.673) 5.133 11.343 ( -1.028 1.561 12.172) 12.315 11.628 ( -3.612 -0.394 0.083) 3.634 11.867 ( 5.922 4.747 2.969) 8.150 12.061 ( -0.017 4.113 -4.921) 6.413 12.369 ( 12.215 10.684 -0.050) 16.228 12.830 ( -9.848 -6.375 -2.950) 12.096 12.938 ( 3.277 -6.986 2.610) 8.146 13.325 ( -15.289 -10.215 0.895) 18.409 13.677 ( -1.086 -1.602 1.584) 2.501 13.898 ( 6.417 -3.155 -3.105) 7.796 13.976 ( 6.070 2.413 1.160) 6.634 14.261 ( -3.021 -2.879 -3.933) 5.735 14.442 ( -2.587 -4.098 6.357) 7.994 15.604 ( 5.713 9.039 -8.931) 13.932 15.852 ( -8.587 -8.039 5.011) 12.786 16.235 ( -12.829 4.138 -6.227) 14.849 16.496 ( -0.168 -9.757 1.993) 9.960 17.234 ( 12.216 3.112 10.959) 16.703 17.956 ( -4.514 1.997 -15.869) 16.619 18.136 ( 0.932 3.295 2.750) 4.392 18.601 ( -1.524 7.966 10.988) 13.657 19.463 ( 6.416 16.008 1.124) 17.283 19.718 ( 12.686 -0.546 -1.562) 12.793 20.056 ( 3.710 1.497 -7.694) 8.672 20.477 ( 8.760 -2.052 0.010) 8.997 20.898 ( 7.361 8.314 17.585) 20.798 21.282 ( -11.169 -2.317 -6.340) 13.051 21.570 ( -9.453 -8.274 -3.303) 12.990 21.970 ( -4.823 -0.872 4.701) 6.791 22.572 ( 7.034 -1.092 -0.748) 7.158 23.074 ( -9.447 -10.488 -4.714) 14.882 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -3.349 5.096 4.112) 7.355 2.099 ( 14.440 -1.960 -3.117) 14.902 2.482 ( -10.414 -0.430 -5.669) 11.865 2.646 ( 4.378 5.203 1.197) 6.905 2.798 ( -0.550 2.922 -0.016) 2.973 2.993 ( -9.770 -7.609 3.950) 12.998 3.214 ( 3.064 -2.065 -4.663) 5.949 3.537 ( 3.120 -0.442 7.276) 7.929 3.680 ( 0.320 -1.631 1.678) 2.362 3.881 ( -9.533 4.653 -3.102) 11.052 4.144 ( 4.605 0.256 -4.234) 6.261 4.199 ( 0.404 -2.110 3.898) 4.451 4.508 ( -2.948 -1.256 -0.594) 3.259 4.641 ( 4.090 -1.498 4.279) 6.106 4.751 ( -7.113 1.719 -0.248) 7.322 4.905 ( 11.748 10.736 -0.619) 15.927 4.947 ( -5.265 -5.074 -1.393) 7.444 5.218 ( 1.031 4.317 -0.240) 4.445 5.239 ( -3.591 2.184 -0.646) 4.252 5.491 ( 2.752 1.221 -1.601) 3.410 5.538 ( 0.988 -2.660 0.023) 2.838 5.602 ( -3.679 0.073 0.195) 3.685 5.671 ( 1.204 0.686 -2.799) 3.123 5.812 ( 2.172 -0.619 2.388) 3.287 6.108 ( -3.524 0.783 0.874) 3.715 6.296 ( 6.043 0.180 4.773) 7.703 6.383 ( -6.165 0.207 -1.913) 6.458 6.595 ( -1.318 1.992 1.410) 2.773 6.843 ( 2.725 -7.225 -1.913) 7.956 7.534 ( 2.083 8.212 3.676) 9.235 7.797 ( -6.895 -3.730 0.829) 7.883 8.095 ( 2.331 -1.401 -3.085) 4.113 8.544 ( -2.601 -5.552 -1.660) 6.352 8.759 ( 5.825 -0.230 0.279) 5.836 9.099 ( -2.322 -4.736 -5.497) 7.618 9.114 ( 8.124 -2.813 -3.719) 9.366 9.335 ( 0.117 -6.011 1.146) 6.121 9.514 ( -2.746 -3.981 10.779) 11.814 9.798 ( -0.587 8.912 -2.275) 9.216 9.881 ( 0.339 4.612 -0.822) 4.697 10.109 ( -5.719 7.308 -0.460) 9.291 10.202 ( 6.792 1.953 -3.480) 7.878 10.554 ( 2.015 -1.517 -0.434) 2.560 10.967 ( -3.067 -2.306 -5.145) 6.419 11.385 ( -3.346 1.671 10.614) 11.253 11.518 ( -3.132 -4.643 -0.880) 5.670 11.998 ( 2.182 -0.079 -0.664) 2.282 12.096 ( -1.626 6.687 2.035) 7.176 12.568 ( -6.833 -4.077 -2.112) 8.233 12.693 ( 11.891 5.759 -3.202) 13.595 12.880 ( -11.518 -6.766 3.752) 13.875 13.122 ( 10.428 -2.857 0.766) 10.840 13.670 ( 0.889 -1.425 1.704) 2.392 13.928 ( 3.285 -4.259 -5.780) 7.895 14.086 ( 0.317 0.922 0.865) 1.304 14.174 ( 0.662 -2.900 -1.032) 3.149 14.415 ( -0.210 -1.007 2.622) 2.817 15.684 ( -5.132 -10.736 15.579) 19.604 15.753 ( 5.963 10.234 -16.409) 20.237 16.088 ( -7.931 9.443 -4.108) 12.999 16.449 ( 3.749 -7.097 3.422) 8.725 17.501 ( 8.334 3.672 9.613) 13.242 17.801 ( -7.569 -0.434 -9.467) 12.129 18.203 ( 1.561 3.210 1.820) 4.007 18.644 ( -7.665 11.232 4.102) 14.204 19.619 ( -4.798 -1.370 -9.571) 10.794 19.808 ( 3.511 -4.870 4.678) 7.611 20.055 ( 3.143 -2.312 -1.365) 4.134 20.546 ( 0.778 -4.543 0.324) 4.621 21.075 ( -3.461 3.899 -0.631) 5.251 21.142 ( -2.167 3.841 -2.294) 4.971 21.428 ( 3.039 -0.923 5.225) 6.114 21.943 ( -1.202 4.652 3.930) 6.208 22.640 ( 0.858 -7.275 -5.252) 9.013 22.902 ( 4.135 -1.515 0.499) 4.432 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -8.936 0.494 9.150) 12.800 2.178 ( -13.997 -5.527 -1.775) 15.153 2.337 ( 5.167 8.598 -7.080) 12.278 2.625 ( -4.003 -8.859 0.035) 9.722 2.846 ( -0.040 -0.523 2.096) 2.161 2.861 ( 5.570 1.251 -2.348) 6.173 3.226 ( -2.283 4.598 -2.904) 5.898 3.523 ( -13.837 -7.073 4.444) 16.163 3.581 ( -2.387 -8.232 6.200) 10.578 3.732 ( -5.187 1.421 -5.366) 7.598 4.127 ( -7.807 3.988 -1.850) 8.960 4.216 ( 4.214 -5.347 -1.041) 6.887 4.296 ( -8.069 -3.867 -4.946) 10.224 4.671 ( -0.447 2.524 4.380) 5.075 4.758 ( -0.302 0.813 5.932) 5.995 4.885 ( 2.449 3.752 -3.763) 5.851 5.047 ( -3.623 2.045 -4.551) 6.166 5.266 ( 4.041 5.764 -1.765) 7.257 5.389 ( 5.618 3.682 3.196) 7.439 5.494 ( -1.400 -4.136 0.314) 4.378 5.561 ( 0.994 -1.908 -0.364) 2.182 5.621 ( 7.375 0.596 5.291) 9.096 5.701 ( 2.892 1.005 -1.476) 3.399 5.896 ( 4.611 2.769 -0.070) 5.379 6.062 ( -2.615 4.268 0.822) 5.072 6.199 ( -5.916 -2.285 -1.828) 6.600 6.507 ( 6.687 2.265 6.131) 9.350 6.555 ( -4.561 -2.320 0.779) 5.176 6.799 ( 2.651 -4.076 -3.572) 6.033 7.615 ( -3.528 -5.643 -2.616) 7.151 7.692 ( -0.487 13.155 5.096) 14.116 8.165 ( 3.365 -5.076 3.934) 7.250 8.454 ( 1.861 -0.433 -2.266) 2.964 8.764 ( 1.624 -10.558 -1.459) 10.781 9.047 ( 0.980 -4.303 -3.242) 5.476 9.255 ( 2.539 1.910 1.616) 3.564 9.301 ( 5.775 -0.875 1.291) 5.982 9.510 ( 1.452 0.569 5.776) 5.983 9.740 ( -7.456 -3.642 -1.330) 8.404 9.916 ( -4.388 9.968 -9.743) 14.613 10.033 ( -5.620 -0.232 4.062) 6.938 10.395 ( 10.448 7.834 1.055) 13.101 10.723 ( 12.383 4.763 -1.426) 13.344 10.875 ( -1.978 -1.547 -5.759) 6.282 11.307 ( -3.531 -5.270 1.430) 6.503 11.489 ( -0.473 0.870 5.365) 5.456 11.995 ( 1.428 -2.959 -7.053) 7.781 12.016 ( -12.829 2.546 7.025) 14.847 12.441 ( -9.534 -0.869 4.809) 10.714 12.672 ( 2.775 -10.520 -3.247) 11.354 12.949 ( 10.143 6.043 1.765) 11.938 13.424 ( 15.267 7.298 0.013) 16.922 13.702 ( 5.071 -2.583 0.392) 5.704 13.883 ( -1.857 -1.137 -6.823) 7.162 13.981 ( -6.479 -2.674 -2.080) 7.311 14.246 ( 5.500 -2.530 5.972) 8.504 14.434 ( 2.958 0.901 -2.823) 4.187 15.541 ( -6.406 -12.550 18.198) 23.016 15.893 ( 4.710 15.136 -20.376) 25.816 16.147 ( 3.870 8.479 3.754) 10.048 16.522 ( 9.629 -4.485 3.983) 11.345 17.513 ( -13.977 3.320 -14.777) 20.610 17.755 ( 8.840 -6.790 15.604) 19.177 18.271 ( 1.104 3.547 1.896) 4.171 18.606 ( -11.259 12.913 -3.346) 17.456 19.276 ( -16.390 -7.848 -7.605) 19.699 19.729 ( -8.084 -10.211 5.675) 14.206 20.068 ( -2.760 -2.751 2.869) 4.839 20.418 ( -7.268 -8.470 1.094) 11.214 20.897 ( -8.897 2.145 -16.698) 19.041 21.304 ( 10.022 7.852 3.701) 13.259 21.615 ( 9.536 3.467 6.850) 12.242 22.053 ( 4.267 7.040 1.188) 8.318 22.479 ( -2.741 -9.420 -4.009) 10.598 23.120 ( 14.208 3.286 1.912) 14.708 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -22.717 2.381 0.776) 22.854 1.730 ( -25.177 -11.550 -0.244) 27.701 2.408 ( -5.789 0.680 3.052) 6.580 2.621 ( -3.691 -4.080 -2.538) 6.059 2.731 ( -0.516 2.825 -5.630) 6.320 2.999 ( 5.379 1.959 -2.908) 6.421 3.167 ( -10.859 1.769 6.712) 12.888 3.228 ( -0.878 -1.237 -2.554) 2.971 3.450 ( -6.021 -3.667 4.361) 8.289 3.642 ( -2.592 -7.720 -1.401) 8.263 4.019 ( -5.011 5.490 -4.192) 8.534 4.110 ( -6.153 -2.647 0.139) 6.700 4.265 ( 0.305 -1.823 -0.506) 1.916 4.732 ( 5.403 -2.677 -2.179) 6.411 4.776 ( -1.525 5.983 4.727) 7.776 4.939 ( -7.647 2.563 4.888) 9.431 5.045 ( 6.885 2.134 -3.180) 7.879 5.222 ( -4.326 -3.479 -7.924) 9.675 5.395 ( -5.923 -0.228 4.083) 7.197 5.454 ( -1.585 -3.743 2.599) 4.824 5.596 ( 2.084 2.937 0.244) 3.610 5.738 ( 2.534 -0.427 -3.105) 4.031 5.844 ( 7.518 3.492 4.227) 9.305 5.977 ( 4.175 -1.261 -1.769) 4.706 6.092 ( -2.053 0.778 1.070) 2.442 6.220 ( 9.660 5.679 1.389) 11.292 6.342 ( -7.748 -6.316 -1.661) 10.133 6.704 ( 5.838 3.112 4.053) 7.758 6.851 ( 7.295 0.001 -1.733) 7.498 7.558 ( 4.191 -3.298 -3.766) 6.529 7.816 ( -2.871 11.164 2.056) 11.709 8.118 ( -2.902 -1.983 8.538) 9.233 8.573 ( 6.789 -6.877 -0.823) 9.699 8.717 ( 8.255 -3.166 1.780) 9.019 8.952 ( -2.852 -7.920 5.157) 9.872 9.263 ( -8.995 4.385 1.375) 10.101 9.383 ( -1.356 6.356 -5.964) 8.821 9.524 ( -5.884 -4.431 -3.348) 8.091 9.633 ( 4.016 -0.819 2.316) 4.708 9.910 ( -0.593 5.590 -0.893) 5.692 9.946 ( -0.538 -2.912 -1.075) 3.150 10.697 ( 13.334 5.412 -3.085) 14.717 10.826 ( 1.477 0.148 -1.935) 2.438 11.006 ( 12.814 3.677 0.897) 13.361 11.249 ( 1.277 -1.251 1.152) 2.126 11.520 ( 0.870 0.168 2.841) 2.976 11.820 ( -12.919 2.355 4.606) 13.917 11.949 ( 0.259 -4.738 -4.671) 6.658 12.300 ( -5.303 -2.048 2.943) 6.402 12.611 ( -4.092 -2.525 2.464) 5.403 13.173 ( 8.184 2.331 -1.120) 8.583 13.679 ( 2.678 4.031 -2.184) 5.310 13.776 ( 6.753 -2.000 -2.266) 7.398 13.811 ( -6.353 -1.844 2.775) 7.174 13.883 ( 6.208 0.226 -5.494) 8.293 14.381 ( 10.150 -0.922 6.123) 11.890 14.515 ( 5.754 1.974 -4.406) 7.511 15.361 ( -8.373 -10.578 16.644) 21.425 16.059 ( 1.642 18.964 -12.125) 22.568 16.397 ( 15.241 3.245 3.003) 15.870 16.736 ( 15.858 -1.224 4.204) 16.451 17.138 ( -17.204 -7.325 -16.677) 25.055 17.915 ( 6.405 -2.066 13.827) 15.378 18.309 ( -1.049 2.775 -4.194) 5.137 18.436 ( -11.766 -0.263 -9.336) 15.022 18.999 ( -14.065 10.644 5.360) 18.435 19.405 ( -14.267 -16.536 4.791) 22.359 19.837 ( -21.173 -1.015 -0.584) 21.205 20.182 ( -12.242 -8.886 13.719) 20.421 20.758 ( 0.949 3.665 -26.217) 26.489 21.603 ( 12.220 5.466 4.088) 13.997 21.838 ( 9.302 3.389 0.868) 9.938 22.185 ( 5.384 0.145 -3.807) 6.596 22.375 ( -0.688 -2.938 3.388) 4.537 23.423 ( 15.005 2.721 1.176) 15.295 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -27.576 6.555 -9.252) 29.816 1.128 ( -30.124 -7.113 6.398) 31.607 1.822 ( -46.395 0.751 2.742) 46.482 2.665 ( 11.581 -4.118 -2.721) 12.589 2.918 ( 4.930 10.608 1.538) 11.799 2.972 ( -1.945 -4.397 -3.719) 6.079 3.121 ( -2.309 -2.382 4.977) 5.981 3.255 ( 2.362 1.357 -3.884) 4.744 3.421 ( -0.033 7.171 6.296) 9.542 3.504 ( -0.745 -9.446 -2.412) 9.777 3.999 ( -4.988 2.017 1.929) 5.716 4.004 ( -1.241 0.620 -1.471) 2.022 4.192 ( -5.480 -1.777 -2.131) 6.142 4.747 ( -9.829 3.553 -1.826) 10.610 4.798 ( 3.665 -2.571 -1.789) 4.821 4.864 ( -0.351 -1.461 3.721) 4.013 5.056 ( -4.487 0.306 -2.240) 5.024 5.193 ( 4.689 0.958 -1.468) 5.006 5.324 ( -3.266 1.055 4.124) 5.365 5.361 ( -4.955 -2.184 -0.550) 5.443 5.681 ( 3.000 2.626 0.976) 4.104 5.757 ( 2.639 -1.664 -3.359) 4.584 5.895 ( -2.836 0.284 1.397) 3.174 6.029 ( 1.759 -0.052 -0.335) 1.792 6.087 ( -3.242 0.448 1.203) 3.487 6.130 ( -3.158 -0.894 -0.830) 3.385 6.537 ( 14.299 -0.094 1.149) 14.345 6.777 ( 1.008 0.092 -0.031) 1.012 7.069 ( 15.228 -0.211 2.154) 15.381 7.651 ( 10.422 -2.028 -4.247) 11.436 7.829 ( -0.244 2.077 -4.691) 5.136 8.148 ( -1.867 1.229 13.172) 13.360 8.568 ( 3.735 1.825 -3.102) 5.187 8.812 ( -4.538 -1.606 11.097) 12.096 8.990 ( 2.943 -3.815 -7.529) 8.938 9.067 ( -1.283 2.003 4.817) 5.372 9.284 ( -9.328 -13.455 0.532) 16.381 9.375 ( -11.858 15.000 -0.849) 19.140 9.678 ( -0.156 -0.376 -1.956) 1.998 9.870 ( 0.326 -0.695 -0.383) 0.858 10.070 ( 6.358 0.328 1.288) 6.496 10.800 ( 10.738 -3.297 -28.807) 30.920 11.027 ( 7.719 4.973 20.781) 22.719 11.240 ( 10.614 0.382 2.244) 10.855 11.335 ( 6.865 -1.161 3.801) 7.932 11.533 ( 1.167 -2.259 -0.204) 2.551 11.673 ( -6.564 0.725 1.273) 6.725 11.898 ( -1.044 0.202 -2.322) 2.554 12.226 ( -0.920 -2.591 -3.018) 4.082 12.476 ( -14.679 4.013 8.500) 17.430 13.227 ( -1.741 -0.048 -4.752) 5.061 13.652 ( -0.720 0.925 -1.456) 1.869 13.681 ( -6.539 -0.420 1.161) 6.654 13.985 ( 15.340 -1.045 -0.992) 15.407 14.010 ( 6.955 -0.760 -0.478) 7.012 14.598 ( 8.896 -1.759 5.191) 10.449 14.636 ( 10.585 -0.287 -3.410) 11.124 15.204 ( -8.525 -1.912 14.380) 16.826 16.216 ( -5.595 21.496 0.635) 22.222 16.527 ( -7.273 -18.242 -18.789) 27.179 16.866 ( 16.574 -0.452 -2.302) 16.739 17.084 ( 20.499 0.420 3.680) 20.831 18.009 ( -2.405 -0.983 5.074) 5.700 18.184 ( -6.961 1.647 -5.219) 8.855 18.309 ( 1.599 0.242 -7.263) 7.441 18.919 ( -14.748 -6.788 12.238) 20.331 19.022 ( -12.668 6.369 -0.035) 14.179 19.382 ( -27.294 0.921 -1.575) 27.355 19.920 ( -18.082 -0.499 13.473) 22.555 20.769 ( 8.232 0.073 -17.744) 19.561 21.837 ( 8.446 0.823 2.207) 8.768 22.004 ( 7.755 0.413 -4.318) 8.886 22.222 ( 5.339 -4.308 -3.022) 7.496 22.400 ( -1.380 2.859 6.231) 6.993 23.689 ( 12.433 0.012 0.037) 12.433 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -5.001 26.221 4.677) 27.100 1.148 ( -19.918 21.163 7.237) 29.950 1.933 ( -20.475 31.473 17.083) 41.250 2.652 ( 5.696 -4.802 -3.248) 8.127 2.896 ( -0.306 -5.821 -2.376) 6.294 2.954 ( -0.644 6.106 -5.707) 8.382 3.128 ( -1.931 -0.357 5.644) 5.976 3.318 ( 6.589 -2.332 4.212) 8.160 3.364 ( 3.483 3.166 -1.304) 4.884 3.548 ( -7.275 -5.450 4.175) 10.003 3.946 ( -7.085 0.809 -5.254) 8.858 4.003 ( 1.236 7.026 -1.722) 7.339 4.203 ( -3.061 5.739 -0.467) 6.521 4.742 ( -4.958 5.462 -4.210) 8.494 4.763 ( 2.130 0.748 -5.002) 5.488 4.878 ( 5.670 2.041 7.316) 9.479 5.122 ( -7.489 1.249 1.647) 7.769 5.181 ( 2.637 1.483 -2.540) 3.951 5.255 ( -0.579 -0.425 -2.650) 2.745 5.377 ( -3.136 1.487 1.731) 3.878 5.669 ( 4.661 -1.194 -1.609) 5.073 5.789 ( 0.775 -1.118 1.440) 1.981 5.894 ( -0.455 1.683 1.193) 2.112 5.996 ( -0.330 -3.261 -4.622) 5.667 6.067 ( -0.172 4.148 -2.021) 4.617 6.131 ( -4.485 3.817 -0.074) 5.890 6.588 ( 8.132 -15.125 7.722) 18.829 6.754 ( 1.450 -0.965 -3.187) 3.632 7.089 ( 8.008 -14.592 4.950) 17.365 7.687 ( 3.188 -9.189 1.410) 9.828 7.857 ( 8.793 7.872 -3.085) 12.198 7.984 ( -5.001 -1.901 -9.806) 11.170 8.575 ( -0.207 -5.005 -2.923) 5.800 8.705 ( -2.143 1.296 -3.536) 4.333 8.917 ( 1.263 -11.103 -10.468) 15.312 9.091 ( -6.493 11.659 2.951) 13.667 9.312 ( -13.661 -2.385 3.302) 14.255 9.413 ( 4.073 17.487 4.449) 18.498 9.714 ( -1.260 0.693 3.293) 3.593 9.871 ( 5.422 1.587 -0.436) 5.666 10.030 ( -0.193 -1.724 -2.740) 3.244 10.739 ( 6.416 -3.497 -20.347) 21.619 11.129 ( 2.573 -10.580 14.624) 18.232 11.231 ( 0.736 -9.265 -0.005) 9.294 11.310 ( 6.558 -7.417 4.096) 10.714 11.538 ( 0.079 -3.546 0.891) 3.657 11.655 ( -1.767 3.537 -1.495) 4.227 11.920 ( -0.659 2.556 0.662) 2.721 12.221 ( 1.059 6.418 -4.212) 7.749 12.438 ( -4.394 9.148 3.521) 10.742 13.289 ( -0.366 0.186 4.489) 4.507 13.645 ( -3.855 2.553 -2.894) 5.455 13.680 ( -1.677 2.777 1.145) 3.440 13.962 ( 3.296 -8.625 -1.805) 9.408 14.076 ( 5.902 -12.262 7.047) 15.324 14.529 ( 3.065 -11.915 -4.812) 13.210 14.682 ( 1.826 -7.311 2.718) 8.011 14.987 ( -2.888 8.719 -16.408) 18.804 16.216 ( 7.335 16.322 -0.092) 17.895 16.739 ( 0.238 -18.435 10.901) 21.418 16.954 ( 1.021 1.639 9.950) 10.136 17.065 ( 8.268 -17.008 2.449) 19.069 17.885 ( 3.088 -2.175 -11.830) 12.418 18.265 ( -14.928 -0.705 6.091) 16.139 18.428 ( 9.378 10.088 9.489) 16.726 18.743 ( -9.641 9.983 -13.428) 19.311 19.022 ( -3.720 12.229 -0.091) 12.782 19.396 ( -13.620 24.029 0.508) 27.625 19.741 ( -9.611 15.425 -11.421) 21.465 21.123 ( 2.526 -10.821 32.068) 33.938 21.806 ( 8.250 -5.022 -1.558) 9.783 22.066 ( 5.566 -8.136 4.301) 10.755 22.234 ( -7.607 -6.851 -2.596) 10.561 22.321 ( 5.950 3.534 -4.452) 8.229 23.667 ( 6.291 -11.077 -3.134) 13.119 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -8.546 23.599 0.598) 25.106 1.491 ( 6.178 26.881 11.167) 29.757 2.156 ( 3.333 24.939 9.345) 26.840 2.692 ( -5.251 -5.857 -3.369) 8.557 2.706 ( 0.734 1.087 0.905) 1.593 3.010 ( -2.477 3.590 1.311) 4.554 3.193 ( 6.046 1.861 4.533) 7.783 3.319 ( -8.922 1.522 3.004) 9.536 3.431 ( 5.945 -3.486 7.076) 9.877 3.572 ( 7.301 6.586 -1.147) 9.900 3.811 ( -4.163 0.067 -7.806) 8.847 4.060 ( -2.079 5.636 -4.027) 7.232 4.232 ( -1.047 6.403 0.855) 6.544 4.687 ( -0.037 -1.191 -4.021) 4.194 4.799 ( 2.395 2.417 -5.030) 6.073 4.992 ( -8.722 1.006 1.531) 8.912 5.065 ( 5.072 3.593 10.371) 12.092 5.153 ( -1.589 -4.414 -1.858) 5.046 5.278 ( 3.528 6.110 -9.375) 11.733 5.397 ( -0.273 3.437 2.768) 4.421 5.705 ( 0.913 -1.728 -2.483) 3.160 5.746 ( -3.708 -3.403 4.731) 6.907 5.916 ( 0.569 -2.332 -4.448) 5.054 5.941 ( 0.444 0.365 -2.409) 2.477 6.092 ( -0.517 -0.640 -0.433) 0.929 6.154 ( 0.766 10.865 -0.704) 10.914 6.532 ( 1.288 -17.906 7.309) 19.383 6.745 ( 0.132 -1.170 -2.889) 3.119 7.042 ( 2.453 -16.436 6.749) 17.936 7.641 ( -1.751 -6.802 -1.052) 7.102 7.741 ( -5.897 -1.442 -2.811) 6.690 8.106 ( 9.488 6.550 -6.042) 13.017 8.643 ( -1.234 2.649 -3.727) 4.736 8.749 ( 0.021 -9.627 -8.959) 13.151 8.911 ( 19.551 2.000 -0.066) 19.653 9.001 ( -4.877 3.334 0.593) 5.937 9.234 ( -1.224 6.883 7.063) 9.938 9.547 ( -6.805 6.530 -2.550) 9.770 9.753 ( 1.504 4.212 7.571) 8.793 9.942 ( -0.105 1.008 2.129) 2.358 9.960 ( -1.652 -5.798 -5.350) 8.060 10.522 ( -10.322 -7.908 -17.495) 21.798 11.108 ( 0.200 -11.116 -3.797) 11.748 11.188 ( 4.525 -4.672 11.031) 12.806 11.327 ( 1.519 -10.835 7.852) 13.467 11.515 ( 3.496 -1.379 0.527) 3.795 11.678 ( -0.560 6.033 -1.281) 6.193 11.960 ( -0.345 4.024 -1.632) 4.356 12.279 ( -1.131 6.451 -1.506) 6.720 12.610 ( 5.197 9.736 7.355) 13.262 13.242 ( -5.042 -1.118 0.990) 5.259 13.578 ( -1.051 -2.623 -1.570) 3.232 13.690 ( 0.300 5.239 -4.367) 6.827 13.907 ( 0.977 -8.263 0.263) 8.324 14.022 ( 0.505 -15.191 5.191) 16.062 14.449 ( 3.132 -8.908 -2.633) 9.803 14.633 ( 0.142 -5.862 2.225) 6.272 15.124 ( 9.868 8.090 -14.468) 19.292 16.324 ( -10.235 -1.091 8.164) 13.137 16.631 ( -0.300 3.149 1.091) 3.346 16.856 ( -8.315 -11.053 8.760) 16.372 17.013 ( 4.284 -15.354 0.566) 15.950 17.940 ( -2.011 4.462 -8.310) 9.645 18.089 ( 1.576 1.285 -0.839) 2.199 18.499 ( -8.793 1.491 1.353) 9.021 18.801 ( 10.938 11.997 8.126) 18.155 19.272 ( 4.570 16.515 -3.321) 17.455 19.458 ( -3.247 26.927 -4.512) 27.494 19.955 ( 10.225 23.024 -6.492) 26.015 20.952 ( -14.947 -16.741 24.924) 33.539 21.878 ( -2.388 -7.478 -2.631) 8.279 21.909 ( -0.347 -7.572 7.351) 10.559 22.146 ( 0.650 -5.824 -6.323) 8.621 22.416 ( 3.345 -0.271 -0.182) 3.361 23.577 ( 0.062 -14.124 -4.032) 14.688 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 4.691 20.664 -8.761) 22.929 1.884 ( 4.741 20.744 10.472) 23.717 2.382 ( 2.828 -0.694 -5.421) 6.154 2.495 ( -5.411 -2.213 -7.153) 9.238 2.864 ( 4.801 4.869 13.499) 15.132 3.044 ( 2.675 -0.890 4.790) 5.558 3.239 ( -1.659 2.836 5.097) 6.064 3.414 ( 7.072 13.138 9.398) 17.633 3.560 ( 4.467 2.722 1.419) 5.420 3.629 ( -6.815 7.364 2.283) 10.290 3.818 ( 6.557 1.247 -9.347) 11.486 4.095 ( 3.515 4.940 -0.370) 6.074 4.260 ( -2.232 4.969 -0.519) 5.472 4.674 ( -0.479 -1.100 -0.897) 1.498 4.817 ( -3.826 3.304 -8.759) 10.113 4.901 ( 1.654 -2.707 5.699) 6.523 5.050 ( -4.551 -1.031 -5.582) 7.275 5.191 ( 4.605 -3.223 7.281) 9.198 5.366 ( 2.275 6.531 -8.206) 10.732 5.454 ( 1.338 2.063 0.340) 2.482 5.643 ( -5.143 -5.059 0.415) 7.226 5.655 ( -1.332 -2.336 0.821) 2.811 5.834 ( -1.045 -4.143 -7.001) 8.202 5.979 ( 1.035 0.369 3.808) 3.963 6.080 ( 0.072 0.440 -1.613) 1.674 6.309 ( 3.846 10.092 -0.325) 10.805 6.350 ( -5.997 -12.615 5.360) 14.961 6.706 ( -1.324 -2.159 -2.547) 3.592 6.929 ( -1.261 -11.724 5.278) 12.919 7.487 ( -5.307 -0.931 -1.089) 5.497 7.775 ( 5.149 1.777 -1.780) 5.730 8.277 ( 6.892 1.265 -10.010) 12.219 8.555 ( -7.749 3.115 6.132) 10.362 8.602 ( -0.294 -8.447 -5.871) 10.291 9.103 ( 7.334 3.083 5.185) 9.496 9.185 ( 7.464 -0.092 -1.336) 7.583 9.368 ( -8.455 -0.883 2.461) 8.850 9.469 ( 10.046 3.582 -2.445) 10.942 9.737 ( -6.066 -2.858 4.980) 8.352 9.812 ( -0.515 -9.037 -5.256) 10.467 9.973 ( -2.189 6.642 -3.877) 7.996 10.258 ( -6.656 0.733 -5.858) 8.896 10.947 ( -2.853 -13.266 -2.120) 13.734 11.228 ( -1.340 -4.364 -1.865) 4.931 11.277 ( 2.511 -6.639 12.463) 14.343 11.608 ( 3.882 5.043 3.310) 7.173 11.753 ( 2.967 2.899 -4.970) 6.473 12.019 ( 1.059 10.327 4.447) 11.293 12.272 ( -5.535 6.002 -3.134) 8.746 12.752 ( 2.316 -3.087 5.985) 7.121 13.147 ( -3.851 -2.742 -0.315) 4.738 13.588 ( 5.880 -3.734 -1.741) 7.179 13.732 ( -0.528 1.001 -6.178) 6.281 13.797 ( -4.606 -6.265 3.509) 8.531 13.879 ( -1.226 -8.129 1.609) 8.377 14.373 ( -2.211 -5.316 -4.050) 7.040 14.567 ( -2.650 -6.721 5.311) 8.966 15.324 ( 11.884 5.682 -17.181) 21.649 16.124 ( -7.699 -11.549 15.191) 20.578 16.575 ( -5.665 -9.759 9.092) 14.491 16.686 ( -10.887 7.527 -10.827) 17.100 16.950 ( 3.168 -3.271 7.047) 8.391 17.918 ( 0.627 8.415 -19.494) 21.242 18.174 ( 2.959 -0.730 6.407) 7.095 18.524 ( 1.355 8.915 8.771) 12.580 19.124 ( 14.354 3.187 3.611) 15.141 19.473 ( -0.045 20.180 -1.295) 20.221 19.784 ( 9.912 20.597 -2.969) 23.050 20.254 ( 2.346 5.390 -12.007) 13.369 20.721 ( -3.192 -0.389 26.296) 26.491 21.636 ( -8.186 -9.471 -1.154) 12.572 21.915 ( -3.951 -6.221 2.504) 7.784 22.033 ( -0.318 -4.302 -3.918) 5.828 22.435 ( 1.362 -3.189 -0.111) 3.469 23.361 ( -5.017 -14.847 -5.083) 16.475 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.453 14.861 -13.076) 22.385 2.034 ( -8.321 3.227 2.475) 9.262 2.392 ( 3.189 2.977 2.292) 4.928 2.465 ( 5.679 0.805 -0.150) 5.738 3.023 ( 6.104 0.304 5.695) 8.354 3.082 ( -1.142 3.283 0.452) 3.505 3.169 ( -5.198 -6.820 3.381) 9.218 3.509 ( -1.599 -0.378 -5.525) 5.764 3.657 ( -0.804 2.637 2.056) 3.439 3.887 ( 10.239 9.369 1.487) 13.958 3.956 ( 7.748 16.091 9.044) 20.019 4.228 ( 2.244 2.615 4.486) 5.656 4.278 ( 0.230 4.102 0.186) 4.113 4.654 ( -1.672 1.477 2.045) 3.026 4.708 ( -3.711 -1.041 -1.277) 4.061 4.906 ( -0.136 -1.406 -9.121) 9.229 5.015 ( 2.674 0.685 2.046) 3.436 5.229 ( -0.382 -3.197 -1.153) 3.420 5.381 ( -4.155 -2.562 -1.622) 5.144 5.422 ( 2.082 -0.144 -0.865) 2.259 5.559 ( 0.426 -2.458 -3.181) 4.042 5.648 ( 1.606 -1.093 0.534) 2.015 5.722 ( -5.685 0.053 -7.344) 9.287 5.989 ( -5.746 -4.854 8.267) 11.177 6.080 ( 2.050 4.341 -1.016) 4.907 6.202 ( -1.930 -2.246 2.608) 3.946 6.467 ( 4.171 5.983 -0.332) 7.301 6.634 ( -2.218 -3.638 -1.997) 4.706 6.807 ( -2.678 -8.140 1.768) 8.750 7.465 ( 0.323 5.259 0.471) 5.290 7.871 ( 2.950 1.944 -0.102) 3.534 8.216 ( -3.206 -7.164 -10.497) 13.107 8.542 ( -0.916 3.657 -0.758) 3.846 8.585 ( 3.545 -1.803 4.055) 5.680 9.098 ( -7.313 -3.487 -4.754) 9.393 9.205 ( 1.275 -11.558 1.445) 11.717 9.278 ( -0.145 -3.292 3.536) 4.833 9.525 ( 1.992 1.331 2.174) 3.235 9.776 ( 3.311 -0.304 -1.201) 3.535 9.812 ( 4.363 0.253 -6.968) 8.225 9.947 ( 1.324 6.753 -0.398) 6.893 10.245 ( -2.725 8.957 2.364) 9.656 10.728 ( -5.931 -12.239 -1.096) 13.644 11.105 ( -4.785 -2.808 -3.322) 6.467 11.360 ( 4.736 -1.585 10.624) 11.739 11.691 ( -3.287 1.077 -1.917) 3.954 11.821 ( 6.060 3.048 3.957) 7.853 12.173 ( -6.974 11.401 -5.983) 14.643 12.299 ( 8.895 10.191 3.372) 13.941 12.725 ( 4.097 -10.984 1.924) 11.880 12.977 ( -10.534 -6.604 -0.852) 12.462 13.514 ( -11.256 -7.637 -0.417) 13.609 13.642 ( 1.621 -17.870 0.692) 17.957 13.726 ( 3.150 5.209 -1.160) 6.197 13.921 ( 4.353 4.383 -1.337) 6.320 14.266 ( -3.129 -1.239 -4.849) 5.903 14.468 ( -3.077 -6.018 6.677) 9.501 15.493 ( 9.861 3.674 -17.916) 20.778 15.949 ( -7.598 -8.504 15.063) 18.893 16.436 ( -6.638 -1.370 5.280) 8.592 16.480 ( -8.674 -1.742 -7.429) 11.552 17.132 ( 10.002 3.476 11.753) 15.820 17.917 ( -1.611 8.904 -23.899) 25.555 18.249 ( 1.514 0.486 12.629) 12.728 18.723 ( 2.178 13.657 8.341) 16.150 19.378 ( 14.255 -5.713 -3.854) 15.834 19.684 ( 0.551 21.043 2.334) 21.179 19.985 ( -3.208 -1.863 -4.543) 5.865 20.260 ( 12.175 1.390 -3.680) 12.795 20.986 ( 5.952 12.916 18.988) 23.723 21.405 ( -8.050 -5.796 -1.205) 9.992 21.653 ( -12.105 -7.743 -7.056) 16.009 22.042 ( 0.162 -0.263 6.040) 6.048 22.424 ( 3.796 -4.900 -3.102) 6.932 23.080 ( -7.273 -13.151 -5.193) 15.900 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 13.922 4.159 -9.387) 17.299 1.881 ( -7.794 4.178 4.327) 9.846 2.441 ( 3.640 -5.753 0.058) 6.808 2.650 ( 4.345 8.549 -0.828) 9.626 2.964 ( -10.368 -1.881 0.483) 10.548 3.047 ( -5.086 -2.254 5.202) 7.617 3.176 ( 4.482 3.233 0.417) 5.542 3.491 ( 2.999 -1.416 -1.387) 3.595 3.655 ( 0.746 -1.699 -1.202) 2.211 3.989 ( 2.252 -2.444 -4.974) 5.982 4.130 ( -9.227 8.775 5.790) 13.988 4.283 ( -1.558 3.520 6.604) 7.644 4.443 ( 9.814 1.401 2.612) 10.252 4.569 ( -0.790 -6.742 0.901) 6.847 4.787 ( 2.705 3.501 -1.412) 4.644 4.925 ( 3.698 9.607 -2.916) 10.700 4.994 ( -6.613 -4.992 2.537) 8.665 5.171 ( 2.144 2.810 -1.526) 3.849 5.360 ( -0.733 4.690 -4.569) 6.589 5.442 ( 3.487 -4.415 1.077) 5.728 5.516 ( -3.104 -1.665 0.756) 3.602 5.604 ( -0.176 -1.414 -6.686) 6.836 5.696 ( -1.038 3.119 -2.542) 4.155 5.833 ( -6.145 -1.425 6.959) 9.393 6.180 ( -1.427 1.082 0.945) 2.025 6.220 ( 6.074 1.913 4.123) 7.587 6.485 ( -6.226 -0.123 -1.478) 6.400 6.609 ( 4.413 -1.785 -0.204) 4.765 6.695 ( -0.681 -7.667 -1.457) 7.834 7.597 ( 3.719 11.243 3.016) 12.220 7.881 ( -4.176 -3.303 2.078) 5.715 8.028 ( -1.819 -5.608 -7.434) 9.488 8.543 ( -1.221 -1.509 -4.344) 4.758 8.646 ( 3.841 -2.790 5.111) 6.976 8.974 ( -0.342 -3.547 -2.977) 4.644 9.077 ( -0.818 -4.559 -1.816) 4.975 9.262 ( 0.971 -4.008 -3.245) 5.248 9.547 ( -1.212 -7.043 9.236) 11.678 9.826 ( 6.210 6.715 -10.529) 13.947 9.886 ( 1.543 4.634 4.618) 6.722 10.120 ( 4.527 5.689 -1.232) 7.374 10.295 ( -3.467 8.414 1.035) 9.159 10.522 ( -3.300 -6.956 -0.188) 7.701 10.998 ( -4.125 -0.470 -1.928) 4.577 11.439 ( -0.415 -3.415 4.364) 5.557 11.615 ( -4.704 3.086 6.228) 8.393 11.918 ( 2.621 -4.032 -5.017) 6.949 12.184 ( 1.364 9.235 2.541) 9.675 12.544 ( 3.336 3.168 -4.879) 6.707 12.699 ( -8.002 -1.912 0.083) 8.227 12.841 ( 14.738 1.049 2.863) 15.050 13.136 ( -19.651 -8.311 0.654) 21.347 13.528 ( 5.866 -19.050 0.264) 19.935 13.834 ( 3.062 4.408 -1.962) 5.714 14.045 ( 5.662 2.416 -0.249) 6.161 14.182 ( -4.265 -0.333 -3.397) 5.463 14.409 ( -0.528 -4.174 4.178) 5.930 15.591 ( 6.919 -0.535 -13.729) 15.383 15.830 ( -6.246 -1.343 12.932) 14.424 16.304 ( -6.367 3.724 -9.829) 12.289 16.383 ( -2.999 0.299 8.354) 8.881 17.400 ( 11.544 -2.139 14.406) 18.585 17.824 ( -6.396 6.594 -23.108) 24.867 18.339 ( -0.674 3.059 15.227) 15.545 18.884 ( -4.318 14.967 2.210) 15.733 19.499 ( 10.132 -6.502 -9.804) 15.526 19.780 ( -3.401 -8.275 3.112) 9.473 19.970 ( 4.370 11.179 -2.174) 12.199 20.452 ( 6.007 -2.056 0.628) 6.380 21.182 ( -3.933 1.033 2.630) 4.843 21.266 ( -6.325 6.774 -0.179) 9.269 21.406 ( -0.686 -4.047 3.841) 5.621 22.051 ( -3.541 3.511 5.284) 7.266 22.458 ( 7.452 -6.753 -6.530) 11.990 22.843 ( -2.899 -7.576 -2.121) 8.385 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.457 -5.152 9.184) 10.540 2.160 ( 11.560 12.783 -4.275) 17.757 2.342 ( -7.388 -2.052 -13.747) 15.740 2.696 ( -9.615 -12.617 2.893) 16.125 2.787 ( 1.902 4.420 3.698) 6.068 2.971 ( -6.687 6.930 2.630) 9.983 3.254 ( 1.483 1.401 -2.505) 3.230 3.507 ( 0.594 -6.872 5.839) 9.037 3.654 ( -0.814 -1.502 0.145) 1.715 3.924 ( -6.977 3.680 -0.667) 7.917 4.080 ( -1.710 -0.796 1.428) 2.366 4.275 ( -3.954 0.623 -0.033) 4.003 4.372 ( -7.217 -4.872 -4.397) 9.755 4.651 ( 7.424 0.869 0.775) 7.515 4.792 ( -4.072 -3.445 3.190) 6.215 4.848 ( -1.161 0.769 -1.305) 1.909 5.122 ( 2.845 9.996 -6.728) 12.381 5.282 ( 5.404 1.244 -0.619) 5.580 5.343 ( -4.047 5.990 1.889) 7.472 5.453 ( 1.059 -4.403 -0.018) 4.529 5.531 ( 4.878 0.061 6.076) 7.791 5.600 ( -4.229 0.382 -3.796) 5.695 5.620 ( 4.805 -1.225 -2.575) 5.587 5.862 ( 1.579 1.300 2.490) 3.223 6.166 ( -1.576 0.066 2.019) 2.563 6.256 ( -5.394 -0.935 -1.031) 5.571 6.460 ( 4.476 3.604 4.890) 7.545 6.593 ( -2.708 -4.825 -2.455) 6.054 6.671 ( 4.918 -2.651 -0.861) 5.653 7.671 ( -9.306 -5.879 -0.700) 11.030 7.820 ( 3.586 12.812 3.331) 13.715 8.047 ( 7.122 -2.575 1.966) 7.824 8.461 ( -3.126 -0.601 -3.550) 4.768 8.642 ( 0.193 -8.927 4.045) 9.802 8.974 ( 2.688 -0.677 -0.945) 2.929 9.123 ( 7.128 0.857 0.336) 7.187 9.215 ( 1.802 -2.220 -7.797) 8.305 9.504 ( 0.827 -6.017 9.216) 11.038 9.902 ( -6.824 2.412 3.362) 7.981 10.005 ( 4.655 10.167 -9.566) 14.715 10.093 ( -4.330 -3.791 -1.251) 5.890 10.335 ( -0.306 6.530 -2.805) 7.114 10.544 ( 9.183 -0.776 -2.315) 9.502 10.948 ( -3.334 3.848 5.029) 7.156 11.305 ( -5.479 -6.970 -1.585) 9.006 11.634 ( -5.362 4.782 11.570) 13.619 11.866 ( 3.170 -5.854 -8.422) 10.735 12.330 ( -8.170 8.963 7.267) 14.138 12.446 ( 6.225 -3.212 -5.014) 8.614 12.660 ( -14.996 -4.544 -1.084) 15.707 12.827 ( 6.343 -2.593 1.989) 7.135 13.223 ( 16.273 11.079 1.010) 19.713 13.473 ( 9.617 -16.677 -0.592) 19.261 13.888 ( -0.315 3.469 -3.941) 5.259 14.064 ( -5.090 -2.435 -1.401) 5.814 14.169 ( 3.691 1.856 3.752) 5.581 14.380 ( 0.742 -3.141 -0.736) 3.310 15.589 ( -1.216 -7.889 7.740) 11.118 15.838 ( 2.746 7.363 -7.059) 10.563 16.251 ( 0.406 3.228 -6.290) 7.081 16.429 ( -0.380 7.785 8.846) 11.790 17.490 ( 1.173 -15.728 -9.833) 18.586 17.736 ( -1.617 9.439 3.758) 10.287 18.395 ( -3.068 2.523 11.236) 11.917 18.882 ( -10.194 9.113 -6.998) 15.360 19.398 ( -7.398 -3.424 -3.375) 8.823 19.768 ( 4.452 -7.975 3.565) 9.804 20.054 ( -3.768 5.441 -0.579) 6.644 20.443 ( -1.204 -3.594 -2.258) 4.412 21.015 ( -9.281 -3.433 -3.394) 10.462 21.285 ( 2.264 8.444 -2.773) 9.172 21.533 ( 6.655 0.726 11.437) 13.252 22.046 ( -0.306 0.093 -1.888) 1.914 22.416 ( -0.597 -4.959 -3.149) 5.905 22.901 ( 12.090 -0.005 0.437) 12.098 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -7.840 3.281 6.579) 10.748 1.984 ( -16.835 -7.419 -10.154) 21.013 2.389 ( -7.303 -8.553 0.579) 11.262 2.516 ( 11.980 11.943 -5.948) 17.931 2.928 ( -4.289 5.623 2.203) 7.407 2.954 ( 2.306 4.653 6.075) 7.992 3.216 ( -1.824 -4.040 -4.474) 6.298 3.396 ( -7.092 -12.262 9.138) 16.857 3.594 ( -6.539 3.499 5.892) 9.471 3.711 ( -16.861 5.153 -3.661) 18.007 4.085 ( -5.257 -5.655 -2.506) 8.118 4.176 ( 4.460 2.649 -4.043) 6.576 4.284 ( -5.019 3.289 1.317) 6.144 4.629 ( -2.145 -4.105 -1.790) 4.966 4.815 ( 6.349 -3.346 -3.965) 8.199 4.910 ( 2.668 2.963 6.121) 7.305 5.130 ( -4.078 5.088 -1.749) 6.751 5.225 ( -4.136 -4.015 -6.370) 8.591 5.449 ( -1.982 -0.489 -1.549) 2.563 5.481 ( 5.365 2.149 -1.216) 5.906 5.524 ( 3.083 0.665 -0.164) 3.158 5.684 ( 2.707 2.219 2.143) 4.104 5.733 ( 9.190 1.663 4.787) 10.494 5.891 ( 3.047 -1.826 -0.901) 3.665 6.099 ( -1.281 -6.060 0.140) 6.196 6.182 ( -2.290 0.010 -0.876) 2.451 6.461 ( -7.571 0.597 -0.289) 7.600 6.647 ( 6.461 4.438 3.388) 8.539 6.731 ( 5.052 -2.130 0.780) 5.537 7.498 ( -2.977 -3.378 -2.471) 5.136 7.910 ( -1.581 -0.207 -2.922) 3.329 8.225 ( 4.203 7.200 14.045) 16.333 8.441 ( 2.134 0.779 -2.749) 3.566 8.584 ( 1.805 -2.964 1.787) 3.903 8.983 ( -1.914 -1.162 7.918) 8.229 9.221 ( 6.752 -4.716 -3.280) 8.865 9.318 ( 7.951 1.661 -0.832) 8.166 9.536 ( 4.734 -2.103 0.878) 5.254 9.752 ( -11.389 3.806 -0.585) 12.022 9.920 ( -7.389 -0.835 -2.679) 7.904 10.061 ( -5.322 1.995 -4.314) 7.135 10.417 ( 9.912 -0.160 -14.323) 17.419 10.735 ( 12.660 -1.312 0.286) 12.731 10.989 ( -2.641 3.729 14.404) 15.111 11.197 ( 1.730 -1.459 -3.415) 4.097 11.597 ( -5.890 0.313 8.440) 10.296 11.854 ( 2.483 -2.578 -5.294) 6.390 12.186 ( -16.424 7.771 4.396) 18.694 12.318 ( -7.136 -9.868 -4.662) 13.040 12.639 ( 5.920 7.051 3.987) 10.033 13.003 ( 11.026 -1.861 -0.820) 11.212 13.514 ( 12.207 -5.780 0.664) 13.522 13.595 ( 12.721 0.089 1.430) 12.801 13.860 ( -4.016 3.503 -7.282) 9.023 13.935 ( -6.956 -0.924 0.990) 7.086 14.261 ( 4.365 -0.388 7.400) 8.600 14.400 ( 5.370 -0.779 -4.166) 6.840 15.483 ( -6.259 -6.837 14.175) 16.937 16.000 ( 11.006 6.827 -11.626) 17.404 16.330 ( 5.688 5.787 -3.935) 9.018 16.598 ( 4.002 10.731 8.538) 14.285 17.147 ( -10.202 -18.442 -18.460) 28.017 17.886 ( 4.362 3.250 13.881) 14.909 18.372 ( -4.070 0.136 1.312) 4.278 18.610 ( -14.715 -5.841 -11.049) 19.306 19.345 ( -7.416 13.846 6.732) 17.089 19.572 ( -15.735 -8.582 3.893) 18.341 20.078 ( -1.711 3.819 -0.903) 4.281 20.327 ( -7.654 -0.771 3.040) 8.272 20.778 ( -11.250 -1.822 -9.545) 14.866 21.465 ( 9.561 5.288 -1.610) 11.044 21.702 ( 8.703 -2.081 4.639) 10.079 22.015 ( 4.336 -7.697 -5.421) 10.365 22.410 ( -0.139 4.305 3.393) 5.483 23.163 ( 15.741 0.136 -0.198) 15.743 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -25.473 0.758 -12.283) 28.290 1.657 ( -21.249 7.565 8.228) 24.009 2.332 ( 5.363 -5.040 -1.711) 7.556 2.672 ( -23.998 7.928 6.198) 26.022 2.819 ( 7.604 4.269 -4.960) 10.033 2.982 ( -3.847 -4.288 0.582) 5.790 3.190 ( -1.458 -9.398 6.194) 11.350 3.246 ( 1.044 10.840 1.805) 11.038 3.476 ( -8.031 -5.532 -1.295) 9.838 3.592 ( -6.145 10.757 5.181) 13.428 3.963 ( -1.139 -4.128 -1.556) 4.556 4.204 ( -1.968 0.129 -3.755) 4.241 4.216 ( -7.412 5.098 1.397) 9.104 4.632 ( 7.578 -2.670 -4.957) 9.440 4.828 ( 0.785 -5.748 -3.368) 6.708 4.934 ( -4.485 2.677 0.711) 5.272 5.071 ( 0.765 -4.095 -4.639) 6.235 5.195 ( -1.976 5.137 7.613) 9.394 5.372 ( -3.366 0.010 -3.997) 5.226 5.488 ( -4.237 2.425 3.730) 6.144 5.635 ( 5.925 -2.340 -3.282) 7.166 5.697 ( -1.342 2.305 -1.266) 2.953 5.888 ( 4.658 -3.110 -2.915) 6.314 5.993 ( 1.804 3.406 2.878) 4.810 6.062 ( 3.634 -1.551 -0.638) 4.003 6.175 ( 9.167 -8.177 -0.507) 12.294 6.352 ( -6.334 4.722 2.246) 8.214 6.731 ( 3.012 -1.954 -2.049) 4.134 6.864 ( 8.202 -0.928 5.746) 10.057 7.492 ( 5.077 0.449 -3.449) 6.153 7.812 ( -2.700 -5.910 -2.651) 7.018 8.273 ( -7.550 -1.066 7.429) 10.645 8.577 ( 7.658 11.327 -0.978) 13.708 8.714 ( 11.492 -0.262 -0.355) 11.501 8.977 ( -5.191 1.486 14.500) 15.473 9.241 ( 0.506 -4.045 1.371) 4.301 9.267 ( -11.159 -3.304 -1.957) 11.801 9.609 ( 3.587 -0.412 -3.162) 4.799 9.691 ( -4.619 9.609 -3.341) 11.173 9.836 ( 0.825 -6.092 0.523) 6.170 9.967 ( 0.012 0.305 0.167) 0.348 10.487 ( 8.911 -0.465 -25.720) 27.224 10.952 ( 11.361 -1.793 8.273) 14.168 11.064 ( 6.727 -5.652 11.978) 14.855 11.267 ( 3.192 1.740 0.601) 3.685 11.526 ( -3.944 -1.669 4.514) 6.222 11.794 ( -5.386 -3.848 1.463) 6.779 12.023 ( -9.338 11.603 -6.011) 16.061 12.182 ( -0.367 -4.940 -2.165) 5.406 12.754 ( -5.787 6.106 7.014) 10.952 13.140 ( 8.191 -2.297 -3.294) 9.122 13.663 ( 7.982 -6.770 -2.523) 10.767 13.747 ( 4.568 3.205 -1.835) 5.874 13.811 ( -4.655 0.700 1.303) 4.885 13.846 ( 3.997 -0.515 4.448) 6.002 14.401 ( 8.506 -1.605 3.622) 9.383 14.490 ( 6.564 -1.112 -1.526) 6.830 15.393 ( -6.144 1.309 11.450) 13.060 16.209 ( 12.112 -6.119 -10.998) 17.467 16.526 ( 6.668 13.063 -3.284) 15.029 16.655 ( -7.414 -15.140 -15.596) 22.965 16.854 ( 5.837 5.656 10.862) 13.566 18.040 ( 2.851 1.303 7.293) 7.939 18.265 ( -3.552 -2.649 -10.241) 11.159 18.317 ( -7.371 -0.212 0.276) 7.379 19.134 ( -19.663 -11.299 6.390) 23.561 19.405 ( -11.235 16.449 3.072) 20.156 19.865 ( -23.118 4.590 -3.138) 23.777 20.308 ( -12.626 5.788 19.247) 23.735 20.568 ( 3.642 -0.679 -15.816) 16.245 21.649 ( 10.382 -3.164 -5.742) 12.279 21.829 ( 9.104 -4.667 1.284) 10.311 22.059 ( 7.745 -1.968 -1.494) 8.129 22.467 ( -0.974 3.154 3.708) 4.964 23.424 ( 14.972 -2.649 -1.213) 15.253 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -5.604 17.373 -2.283) 18.396 1.752 ( -21.222 16.501 2.844) 27.032 2.348 ( -1.783 5.167 -6.202) 8.267 2.681 ( -0.762 -1.004 6.477) 6.598 2.793 ( -1.776 -1.206 1.405) 2.565 3.055 ( 4.134 -2.850 6.975) 8.594 3.132 ( -5.366 11.724 1.096) 12.941 3.272 ( -1.392 1.252 4.390) 4.773 3.413 ( -5.808 0.966 -1.273) 6.024 3.664 ( -6.708 -0.369 2.151) 7.054 4.049 ( 1.677 9.080 0.607) 9.254 4.107 ( -9.578 3.826 0.283) 10.318 4.277 ( -0.731 0.735 1.157) 1.553 4.647 ( 4.623 1.359 -10.654) 11.692 4.775 ( 0.774 -5.892 0.766) 5.992 4.940 ( 1.201 13.014 4.265) 13.748 5.080 ( 4.068 -6.310 2.548) 7.928 5.261 ( -6.473 5.614 -9.392) 12.714 5.327 ( -2.881 1.674 0.938) 3.462 5.446 ( -2.463 0.427 0.992) 2.689 5.582 ( 2.468 -0.697 -2.030) 3.271 5.764 ( 1.826 -1.080 0.245) 2.135 5.811 ( 7.295 -5.981 -0.915) 9.478 5.975 ( -1.945 -4.887 -0.609) 5.295 6.085 ( 2.009 4.966 0.180) 5.360 6.236 ( 8.060 -6.977 3.355) 11.175 6.349 ( -5.755 2.964 -1.171) 6.578 6.657 ( 5.235 -4.228 -2.449) 7.161 6.889 ( 3.097 -7.644 3.692) 9.036 7.602 ( -0.980 -5.030 2.707) 5.796 7.745 ( 10.355 9.059 -7.353) 15.600 8.055 ( -7.474 -1.715 -3.303) 8.350 8.549 ( 1.466 -4.986 -3.057) 6.029 8.674 ( -7.353 -10.082 -4.788) 13.365 8.926 ( -11.580 -2.890 1.645) 12.048 9.235 ( 3.598 9.376 -2.942) 10.465 9.410 ( 1.978 -1.050 -1.657) 2.786 9.575 ( -7.864 3.346 3.879) 9.385 9.616 ( 7.732 -3.773 -0.300) 8.608 9.900 ( -0.904 7.692 -1.265) 7.847 10.020 ( 0.697 0.281 8.979) 9.010 10.498 ( 9.163 1.487 -17.915) 20.178 10.987 ( 6.734 -10.342 -0.633) 12.357 11.094 ( 5.750 -9.688 21.725) 24.473 11.229 ( -0.946 -0.134 -1.431) 1.721 11.492 ( 0.766 -4.302 -1.172) 4.524 11.759 ( -4.882 8.646 -4.547) 10.921 12.005 ( -5.134 1.135 2.931) 6.020 12.242 ( 1.165 7.841 -4.928) 9.334 12.608 ( -7.449 -0.259 1.598) 7.623 13.189 ( 8.176 -6.359 1.544) 10.472 13.683 ( 6.278 -4.643 -1.820) 8.018 13.749 ( -2.933 1.272 -3.754) 4.930 13.825 ( -0.025 -2.148 2.954) 3.653 13.969 ( -1.458 -3.343 7.052) 7.939 14.305 ( 4.744 -10.329 -5.320) 12.550 14.572 ( 4.475 -4.881 4.260) 7.874 15.137 ( -12.260 3.939 -16.937) 21.276 16.184 ( 12.274 12.485 4.967) 18.199 16.419 ( 12.053 -14.570 7.617) 20.386 16.709 ( 7.125 -14.605 0.283) 16.253 17.307 ( -9.475 16.120 8.747) 20.644 17.722 ( 1.432 -8.248 -16.142) 18.184 18.370 ( -1.057 -7.937 7.790) 11.171 18.549 ( 4.587 19.977 5.097) 21.121 18.955 ( -10.568 13.791 -0.460) 17.381 19.349 ( -19.347 4.259 -3.678) 20.149 19.828 ( -8.650 17.780 -2.102) 19.884 20.057 ( -17.433 7.033 -6.371) 19.849 21.104 ( 5.571 -1.413 26.964) 27.570 21.557 ( 12.311 -6.201 -2.262) 13.969 21.828 ( 10.485 -8.753 -1.254) 13.715 22.192 ( 8.192 0.148 -2.991) 8.723 22.347 ( -10.582 -4.239 -0.703) 11.421 23.386 ( 9.714 -11.679 -4.488) 15.840 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -10.475 19.060 1.668) 21.813 1.650 ( -0.922 17.171 0.566) 17.205 2.306 ( -3.410 4.296 -3.184) 6.342 2.711 ( -0.461 -2.034 -3.533) 4.103 2.800 ( -1.209 8.278 6.334) 10.493 3.109 ( 1.089 2.733 5.983) 6.667 3.170 ( 3.214 -0.248 3.739) 4.937 3.294 ( -1.389 -3.736 5.630) 6.898 3.445 ( 2.865 5.590 -2.187) 6.652 3.605 ( -4.303 13.219 7.289) 15.697 3.959 ( -10.435 4.308 -0.701) 11.311 4.128 ( -0.959 3.930 -3.592) 5.410 4.321 ( 0.310 6.066 3.521) 7.021 4.653 ( -0.111 0.153 -10.272) 10.274 4.729 ( 1.485 -4.919 0.925) 5.221 5.039 ( 2.637 -5.552 3.253) 6.954 5.130 ( 0.732 3.153 3.109) 4.488 5.170 ( -6.757 4.264 -2.295) 8.312 5.287 ( -1.792 5.183 -7.864) 9.588 5.458 ( -0.818 4.373 2.936) 5.330 5.623 ( 4.693 -2.195 -3.228) 6.104 5.766 ( 0.615 -2.253 0.289) 2.354 5.824 ( -0.527 -6.829 -6.583) 9.500 5.935 ( 3.288 -0.500 2.837) 4.372 6.114 ( -3.124 -1.550 3.922) 5.248 6.292 ( -1.827 -3.953 2.756) 5.153 6.312 ( 5.117 2.867 0.196) 5.869 6.691 ( 3.244 -2.095 -3.392) 5.140 6.857 ( 3.164 -11.612 4.472) 12.839 7.558 ( 1.244 -4.848 1.444) 5.210 7.874 ( -9.964 -2.839 -2.517) 10.662 8.000 ( 9.847 9.297 -9.968) 16.815 8.530 ( 7.266 2.627 -2.251) 8.048 8.612 ( 4.910 -7.204 -5.050) 10.075 8.769 ( -3.541 2.240 2.090) 4.682 9.216 ( -11.823 -3.606 0.721) 12.382 9.294 ( 1.230 0.976 -2.557) 3.001 9.645 ( -0.434 -4.579 -2.791) 5.380 9.731 ( 5.446 9.767 0.707) 11.205 9.934 ( 0.624 -4.044 4.103) 5.795 10.021 ( -6.140 6.052 5.755) 10.366 10.481 ( -0.718 -5.492 -15.311) 16.282 10.930 ( 1.880 -11.851 -3.937) 12.628 11.175 ( 3.039 -10.300 22.386) 24.828 11.248 ( 0.779 3.191 -1.206) 3.499 11.443 ( 1.778 -2.655 -1.078) 3.373 11.759 ( -1.634 7.692 -1.809) 8.069 12.017 ( -1.875 6.777 -3.433) 7.825 12.322 ( 1.888 4.923 2.178) 5.704 12.627 ( 4.750 5.912 0.796) 7.626 13.207 ( 2.554 -9.938 1.454) 10.364 13.665 ( -0.854 -1.140 -4.601) 4.817 13.736 ( -9.667 -1.486 -3.306) 10.324 13.776 ( 6.440 -13.218 1.049) 14.741 13.835 ( -1.533 -3.109 5.032) 6.111 14.322 ( 5.743 -4.061 -0.930) 7.095 14.574 ( 1.284 -6.316 2.863) 7.053 15.060 ( -0.110 8.522 -11.393) 14.228 16.338 ( 0.502 -15.127 2.018) 15.270 16.563 ( 10.963 6.742 -3.148) 13.250 16.766 ( 8.799 -6.295 7.153) 12.970 17.102 ( -17.744 -3.809 6.897) 19.414 17.824 ( 10.710 6.017 -6.804) 14.044 18.238 ( -9.586 -1.689 3.261) 10.265 18.622 ( -12.028 -4.118 6.262) 14.172 18.980 ( 0.444 22.544 -2.473) 22.684 19.321 ( 1.548 15.608 -1.789) 15.786 19.854 ( -13.108 19.591 -6.106) 24.349 20.003 ( 5.379 16.010 -1.645) 16.970 21.117 ( -7.865 -10.554 20.839) 24.647 21.706 ( 10.300 -5.373 3.363) 12.094 21.879 ( 3.712 -12.063 1.878) 12.760 22.072 ( -7.463 -6.849 -1.434) 10.231 22.334 ( 5.691 2.089 -5.764) 8.365 23.361 ( 4.968 -14.549 -5.233) 16.240 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -9.929 18.414 -7.951) 22.380 1.931 ( 11.449 4.404 4.390) 13.029 2.343 ( -0.798 11.523 1.049) 11.598 2.613 ( -5.475 1.443 -7.452) 9.359 2.904 ( 0.396 0.621 9.152) 9.182 3.083 ( -6.510 -0.977 7.205) 9.759 3.234 ( 4.070 -2.274 4.080) 6.195 3.396 ( 11.613 -2.742 -2.220) 12.137 3.529 ( 2.099 11.822 2.856) 12.342 3.823 ( -2.411 15.019 4.768) 15.941 3.847 ( -4.596 11.540 1.985) 12.579 4.115 ( -0.336 1.878 -1.343) 2.333 4.369 ( -3.653 5.919 1.637) 7.145 4.627 ( 1.446 0.718 -4.602) 4.877 4.737 ( 4.919 -4.762 -2.943) 7.452 5.013 ( -4.221 -1.080 1.878) 4.745 5.062 ( -2.431 -2.663 0.951) 3.729 5.138 ( -1.485 -3.791 2.816) 4.950 5.331 ( 3.225 7.500 -12.226) 14.701 5.498 ( -1.722 2.927 2.825) 4.417 5.629 ( 0.178 -6.956 -1.628) 7.147 5.681 ( -3.493 -4.159 -3.448) 6.433 5.760 ( 1.565 -1.793 -1.814) 2.992 5.998 ( -0.532 -1.146 6.032) 6.163 6.055 ( 1.213 -0.987 -2.657) 3.083 6.209 ( 1.144 -11.670 4.163) 12.442 6.460 ( 0.334 12.623 -0.548) 12.639 6.690 ( 0.102 -1.371 -2.674) 3.006 6.826 ( 2.344 -7.971 4.883) 9.637 7.548 ( -0.841 -2.689 0.606) 2.881 7.714 ( -1.565 -0.178 -0.188) 1.586 8.158 ( 5.473 3.711 -11.341) 13.128 8.520 ( -1.800 -4.729 -0.215) 5.064 8.703 ( -0.824 3.456 1.416) 3.825 8.924 ( 14.404 -0.580 -1.359) 14.479 9.083 ( 0.806 1.065 2.850) 3.148 9.366 ( 6.482 4.322 -2.984) 8.343 9.509 ( -5.537 -6.829 -2.986) 9.285 9.746 ( -10.503 -6.991 -1.634) 12.722 9.830 ( -2.310 -0.554 2.500) 3.449 10.064 ( -2.128 7.171 -3.416) 8.224 10.330 ( -2.871 -2.809 -1.103) 4.165 10.803 ( 0.795 -13.977 -3.125) 14.344 11.189 ( 1.034 -5.910 11.947) 13.369 11.261 ( -1.154 0.608 -1.123) 1.721 11.562 ( 7.408 4.682 4.519) 9.860 11.812 ( -2.919 7.836 -1.510) 8.497 12.048 ( 2.795 5.320 -0.639) 6.043 12.407 ( -0.894 7.976 -2.394) 8.375 12.749 ( 0.265 -1.547 2.752) 3.168 13.127 ( 0.731 -9.116 1.121) 9.214 13.481 ( -3.272 -10.273 -1.683) 10.912 13.678 ( 2.537 -1.969 -5.120) 6.043 13.759 ( 0.733 -7.168 1.328) 7.327 13.844 ( 0.910 1.192 1.470) 2.100 14.354 ( 0.099 -0.172 -1.314) 1.329 14.537 ( 0.449 -5.980 3.910) 7.159 15.131 ( 5.686 4.348 -12.166) 14.116 16.172 ( -3.239 -12.990 6.190) 14.749 16.633 ( -2.291 -4.700 1.187) 5.362 16.819 ( -8.432 -6.521 6.419) 12.443 16.935 ( 2.952 9.066 -1.286) 9.621 17.977 ( -3.350 7.124 -9.559) 12.384 18.124 ( 3.485 2.806 -1.590) 4.748 18.501 ( 2.849 -5.423 10.213) 11.909 19.183 ( -3.536 16.495 8.392) 18.842 19.553 ( 7.791 14.091 -5.622) 17.055 19.892 ( -1.209 20.119 -9.080) 22.106 20.271 ( 3.291 8.830 -0.427) 9.433 20.921 ( -8.801 -2.211 17.628) 19.827 21.665 ( -7.112 -12.672 2.106) 14.684 21.851 ( 6.783 -5.491 9.326) 12.772 21.956 ( -0.970 -5.458 -8.684) 10.303 22.388 ( 1.557 -0.493 -3.365) 3.740 23.227 ( -0.070 -15.036 -5.521) 16.018 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.667 13.626 -15.233) 20.449 2.121 ( 6.421 -2.614 6.705) 9.645 2.400 ( -9.722 1.454 2.028) 10.037 2.554 ( -0.641 14.348 -0.828) 14.386 2.947 ( 4.694 -1.734 7.054) 8.649 3.054 ( 0.638 -3.202 6.422) 7.204 3.231 ( -2.422 -2.315 -0.444) 3.380 3.450 ( 2.175 -4.641 -10.364) 11.562 3.761 ( -0.789 8.567 1.923) 8.816 3.789 ( 3.000 3.522 0.451) 4.648 4.065 ( 3.381 14.178 3.654) 15.026 4.256 ( 7.069 10.395 11.322) 16.918 4.368 ( -3.752 5.358 3.441) 7.391 4.626 ( -1.139 -1.485 -6.243) 6.517 4.762 ( 4.571 -4.544 -6.175) 8.926 4.888 ( -8.223 1.634 6.050) 10.338 5.014 ( -1.133 -1.140 -1.590) 2.261 5.140 ( 5.480 -3.329 1.784) 6.656 5.375 ( -1.097 -0.534 -5.597) 5.729 5.459 ( -2.882 -1.055 -0.709) 3.150 5.505 ( -0.556 -5.627 -2.582) 6.216 5.635 ( -0.527 -0.176 -0.044) 0.557 5.758 ( -0.357 0.510 -3.227) 3.286 6.002 ( 2.282 -1.784 6.523) 7.138 6.082 ( 1.259 1.917 -7.805) 8.135 6.142 ( 0.999 -9.003 4.910) 10.303 6.533 ( -2.252 5.720 -1.305) 6.284 6.650 ( -2.187 -1.021 -1.105) 2.655 6.790 ( -3.172 -2.643 3.585) 5.468 7.522 ( -0.063 4.550 -0.498) 4.578 7.783 ( 6.071 -1.057 0.289) 6.169 8.152 ( -0.633 -3.854 -9.297) 10.084 8.504 ( 1.329 1.432 -0.163) 1.961 8.675 ( -4.528 3.262 4.223) 6.999 9.027 ( 5.044 -11.790 -2.791) 13.124 9.161 ( 0.415 -1.807 2.925) 3.463 9.325 ( -9.900 -3.710 -1.511) 10.680 9.466 ( 0.669 -3.784 0.371) 3.861 9.615 ( 9.845 1.745 -7.098) 12.262 9.829 ( 0.367 5.508 3.319) 6.442 10.012 ( -3.388 3.603 -5.200) 7.176 10.354 ( 0.300 3.564 5.824) 6.834 10.655 ( -1.146 -12.651 -0.346) 12.707 11.149 ( -3.386 -1.039 -3.289) 4.833 11.293 ( 4.089 -0.937 7.494) 8.588 11.758 ( 5.908 3.598 4.309) 8.150 11.781 ( -5.454 4.990 -3.016) 7.984 12.232 ( 7.647 3.946 2.313) 8.910 12.441 ( -4.683 16.791 -4.593) 18.027 12.616 ( -4.402 -10.808 1.393) 11.753 13.049 ( -3.427 -7.158 1.049) 8.005 13.329 ( 1.846 -19.375 -1.453) 19.517 13.627 ( -4.362 -3.247 -2.691) 6.068 13.746 ( 1.769 2.032 0.728) 2.791 13.896 ( 2.484 2.630 -0.380) 3.637 14.314 ( -3.478 1.737 -3.515) 5.241 14.483 ( -2.485 -6.013 5.011) 8.213 15.245 ( 10.033 0.805 -12.431) 15.995 16.034 ( -4.004 -6.736 6.901) 10.442 16.530 ( -5.123 -3.080 4.721) 7.617 16.636 ( -9.342 -2.368 5.020) 10.867 17.062 ( 4.398 4.844 0.500) 6.561 17.964 ( 0.130 12.191 -18.907) 22.497 18.232 ( 2.502 0.250 5.729) 6.256 18.683 ( 16.596 -4.290 10.317) 20.007 19.266 ( -5.054 9.483 3.941) 11.446 19.784 ( 5.604 11.418 -4.934) 13.643 20.102 ( 5.956 5.828 -7.617) 11.289 20.166 ( -10.976 4.229 3.809) 12.364 21.068 ( 6.856 10.938 14.837) 19.667 21.434 ( -5.468 -11.948 3.819) 13.684 21.762 ( -9.797 -2.856 -11.582) 15.436 21.974 ( 7.400 -3.666 6.924) 10.777 22.360 ( -1.564 -2.121 -2.727) 3.792 23.024 ( -3.859 -12.422 -4.760) 13.852 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 6.234 5.206 -13.173) 15.476 2.108 ( -8.460 4.094 4.012) 10.218 2.324 ( 3.612 -5.097 9.988) 11.781 2.699 ( 0.002 10.844 -5.178) 12.017 3.036 ( -0.299 -8.281 7.823) 11.396 3.101 ( 7.045 2.639 5.840) 9.524 3.134 ( -4.272 0.465 -4.698) 6.367 3.392 ( 2.111 -2.115 -8.352) 8.870 3.691 ( -5.690 -1.172 1.648) 6.039 3.913 ( 3.572 1.055 -3.844) 5.353 4.306 ( 8.467 7.993 1.008) 11.687 4.357 ( -3.570 3.118 3.127) 5.678 4.455 ( -10.077 -2.673 -1.443) 10.525 4.513 ( 1.640 1.290 12.520) 12.693 4.749 ( 2.742 -0.617 -8.269) 8.734 4.919 ( 3.956 5.978 3.740) 8.085 5.010 ( 1.053 -0.791 2.229) 2.589 5.225 ( 0.580 3.290 -1.779) 3.785 5.296 ( 1.013 -3.349 -0.589) 3.548 5.389 ( -0.148 -2.406 -0.353) 2.436 5.500 ( 1.425 0.139 -3.042) 3.362 5.620 ( -2.192 -2.303 1.965) 3.737 5.740 ( -1.606 5.120 -5.180) 7.458 5.993 ( -7.503 -1.598 6.204) 9.866 6.102 ( 4.244 -4.233 -0.657) 6.030 6.160 ( 7.917 1.490 -3.345) 8.723 6.506 ( -1.829 -3.320 -0.624) 3.841 6.588 ( -3.780 1.213 -0.479) 3.998 6.700 ( -4.337 -2.076 1.200) 4.956 7.648 ( 4.570 10.787 0.400) 11.722 7.835 ( 3.631 -5.283 -2.062) 6.734 8.022 ( -5.568 -5.493 -3.028) 8.387 8.507 ( -1.772 -2.928 -1.903) 3.916 8.658 ( -1.687 3.133 2.318) 4.246 8.948 ( 0.005 -6.793 -1.364) 6.929 9.092 ( -4.410 1.685 -1.254) 4.885 9.163 ( 2.044 -8.234 0.191) 8.486 9.498 ( 1.168 -6.327 3.827) 7.486 9.742 ( 5.711 6.455 -7.622) 11.505 9.932 ( 0.964 7.053 2.715) 7.619 10.104 ( 5.940 6.609 1.875) 9.081 10.391 ( -1.513 1.951 1.647) 2.968 10.508 ( -2.833 -8.335 1.041) 8.865 11.081 ( -3.710 3.404 -2.278) 5.527 11.391 ( 3.872 -2.591 4.314) 6.349 11.738 ( -3.180 3.962 2.567) 5.692 11.808 ( 0.239 -5.405 -5.591) 7.780 12.284 ( -2.801 5.823 1.653) 6.669 12.515 ( 3.888 -6.338 -0.146) 7.437 12.692 ( 8.352 18.865 0.731) 20.644 12.830 ( -11.512 -4.999 -1.173) 12.605 13.167 ( 6.584 -24.002 -1.364) 24.926 13.416 ( -15.582 -2.148 -1.172) 15.773 13.834 ( 3.151 4.024 -0.033) 5.111 13.974 ( 3.947 0.747 0.880) 4.112 14.263 ( -3.909 4.389 -3.593) 6.889 14.390 ( -1.919 -6.342 3.616) 7.548 15.376 ( 9.746 -2.096 -8.129) 12.863 15.950 ( -3.816 -1.082 4.263) 5.822 16.371 ( -7.941 -3.611 -1.707) 8.889 16.573 ( -5.280 7.401 9.216) 12.945 17.201 ( 8.945 -3.725 1.781) 9.852 17.997 ( -6.263 15.991 -17.801) 24.735 18.304 ( 6.327 -6.630 12.633) 15.608 19.018 ( 20.151 -2.005 4.619) 20.770 19.238 ( -7.137 6.867 -2.457) 10.205 19.780 ( -7.611 -8.975 -4.829) 12.720 20.080 ( 3.369 12.068 3.657) 13.052 20.341 ( 5.157 4.475 -0.210) 6.831 21.246 ( -4.499 -6.614 3.265) 8.640 21.350 ( 5.847 1.645 12.857) 14.220 21.495 ( -12.188 4.012 -13.363) 18.526 22.122 ( 6.994 1.389 6.996) 9.989 22.270 ( -1.983 -4.961 -6.040) 8.063 22.827 ( -4.611 -6.473 -2.264) 8.264 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 4.134 -7.902 -0.144) 8.919 2.178 ( 3.236 15.773 -0.339) 16.105 2.377 ( 0.583 -1.580 2.340) 2.883 2.690 ( -2.856 -0.690 -5.336) 6.091 2.916 ( -8.062 -2.759 6.198) 10.537 3.077 ( 1.340 -5.627 -2.553) 6.322 3.230 ( -0.424 4.982 -0.078) 5.001 3.468 ( 8.538 1.058 -2.324) 8.912 3.574 ( -3.343 -5.946 2.774) 7.364 3.943 ( 1.333 1.039 -0.412) 1.740 4.262 ( -7.171 -2.324 -1.178) 7.630 4.316 ( -3.141 -0.997 -0.221) 3.303 4.453 ( -7.927 0.127 2.648) 8.358 4.510 ( 7.150 3.623 -1.349) 8.128 4.809 ( 4.851 -0.336 -1.803) 5.186 4.941 ( -8.694 0.486 3.006) 9.212 5.113 ( 5.305 4.379 0.406) 6.891 5.232 ( 1.517 3.210 -1.836) 3.997 5.375 ( 6.576 -0.305 -1.952) 6.867 5.399 ( 1.875 -2.850 -0.665) 3.476 5.518 ( -2.935 -0.694 7.126) 7.738 5.546 ( 1.249 2.368 -0.244) 2.688 5.674 ( -6.522 -2.092 -6.971) 9.773 5.914 ( -3.772 2.084 4.145) 5.979 6.106 ( 2.580 -6.043 -0.539) 6.593 6.349 ( 5.228 6.840 0.015) 8.609 6.388 ( -1.319 -6.667 -1.203) 6.902 6.568 ( -0.852 2.201 0.273) 2.376 6.637 ( -0.755 -0.917 0.187) 1.202 7.773 ( -7.600 -6.448 1.760) 10.121 7.832 ( 4.332 -1.754 -3.530) 5.857 7.922 ( 6.082 7.227 1.941) 9.643 8.434 ( 0.986 -4.061 -0.454) 4.203 8.656 ( -3.207 0.226 0.621) 3.275 8.934 ( 2.313 1.641 0.573) 2.893 9.094 ( 0.247 3.419 3.808) 5.123 9.143 ( 1.233 -1.381 -8.496) 8.695 9.440 ( 0.802 -7.828 5.880) 9.823 9.901 ( 6.775 5.967 -5.285) 10.461 9.993 ( -1.504 0.705 3.321) 3.713 10.212 ( -2.753 3.283 0.461) 4.309 10.372 ( 2.259 -2.060 0.029) 3.057 10.435 ( -2.242 1.104 -0.912) 2.660 11.071 ( -2.281 6.644 -0.230) 7.029 11.344 ( -5.248 -6.419 2.476) 8.653 11.687 ( 2.107 -9.537 -8.008) 12.631 11.802 ( -0.436 6.021 6.827) 9.113 12.332 ( 1.429 2.870 -1.833) 3.693 12.557 ( -5.491 -5.463 2.428) 8.118 12.609 ( 4.850 4.595 -1.247) 6.796 13.028 ( -13.096 -2.618 0.484) 13.364 13.082 ( 6.744 -16.192 -2.252) 17.684 13.122 ( 7.518 14.565 1.750) 16.484 13.910 ( 1.222 3.472 -2.155) 4.265 14.039 ( 2.841 -2.826 3.157) 5.101 14.236 ( -3.613 6.181 -1.053) 7.237 14.329 ( 0.471 -5.294 -0.029) 5.315 15.465 ( 6.771 -6.039 0.195) 9.075 15.912 ( -3.279 4.512 -0.704) 5.622 16.228 ( -3.094 -2.262 -1.190) 4.013 16.634 ( -3.410 13.232 4.315) 14.330 17.246 ( 4.642 -13.256 -4.462) 14.737 17.940 ( -8.302 8.874 2.238) 12.357 18.392 ( 5.157 -4.623 0.217) 6.929 19.111 ( -11.798 -1.970 -1.990) 12.126 19.371 ( 17.286 2.034 1.904) 17.509 19.581 ( -2.690 -1.184 -0.525) 2.985 20.278 ( -4.959 11.726 0.924) 12.765 20.344 ( 3.966 -7.896 -1.214) 8.919 21.107 ( -5.276 -4.620 4.284) 8.218 21.341 ( -3.153 6.458 -11.789) 13.807 21.487 ( 2.365 -1.335 8.533) 8.955 22.083 ( -7.501 -5.154 -1.129) 9.171 22.345 ( 8.692 3.521 0.406) 9.386 22.757 ( 2.068 -0.055 -0.024) 2.069 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 8.758 -7.361 6.929) 13.375 2.190 ( -12.982 0.569 -15.924) 20.554 2.463 ( 4.751 15.229 -2.590) 16.161 2.566 ( -10.445 -3.831 8.050) 13.733 2.890 ( 6.052 2.625 3.336) 7.393 3.024 ( 1.485 -7.747 -2.678) 8.330 3.207 ( -4.556 2.337 -2.820) 5.846 3.436 ( -5.252 -6.390 10.478) 13.350 3.625 ( 4.325 1.037 -3.530) 5.678 4.030 ( 3.933 1.779 7.191) 8.387 4.101 ( -9.416 -1.118 -2.163) 9.726 4.218 ( -6.126 2.826 -6.876) 9.633 4.353 ( -5.733 3.188 2.830) 7.144 4.621 ( 5.688 -3.141 -4.596) 7.958 4.772 ( -11.298 2.778 1.584) 11.742 4.895 ( 5.452 -0.173 3.864) 6.685 5.137 ( -2.285 -5.316 -7.781) 9.696 5.227 ( -0.546 -0.443 -2.939) 3.022 5.417 ( 0.982 1.409 -0.327) 1.748 5.448 ( 2.447 -0.891 1.363) 2.939 5.522 ( 0.645 0.089 -2.959) 3.030 5.598 ( 6.540 -0.342 5.151) 8.332 5.672 ( 4.282 4.761 1.735) 6.634 5.835 ( -3.269 -5.316 -3.803) 7.308 6.064 ( -0.621 -4.825 4.726) 6.782 6.242 ( -5.797 -1.750 -2.407) 6.516 6.534 ( 4.640 0.400 -1.055) 4.775 6.587 ( 1.343 -0.224 1.439) 1.981 6.682 ( 2.659 7.051 1.321) 7.651 7.557 ( -8.079 -4.452 -0.346) 9.231 7.855 ( 3.645 -6.259 -0.097) 7.243 8.153 ( 8.493 4.822 0.274) 9.771 8.481 ( 1.644 3.190 3.849) 5.263 8.614 ( -1.669 4.308 0.920) 4.711 9.017 ( 3.802 2.668 3.626) 5.893 9.104 ( -0.884 -0.103 -1.166) 1.467 9.198 ( 5.582 3.548 0.166) 6.617 9.438 ( 3.926 -5.155 3.517) 7.373 9.896 ( -7.632 -5.387 2.336) 9.630 10.010 ( 3.465 -0.054 -9.245) 9.873 10.137 ( -7.968 6.978 -1.386) 10.682 10.335 ( -3.548 -4.612 -4.512) 7.364 10.499 ( 9.354 0.297 1.235) 9.440 11.147 ( 2.144 7.707 -0.793) 8.038 11.163 ( -7.728 -6.414 5.624) 11.510 11.635 ( 3.095 -6.315 -2.833) 7.582 11.852 ( -3.038 4.652 5.018) 7.487 12.262 ( -3.521 -6.023 -5.804) 9.075 12.618 ( 2.554 7.038 0.733) 7.523 12.647 ( -13.910 3.309 4.965) 15.136 12.784 ( 4.966 1.783 -1.617) 5.518 13.118 ( 16.275 -15.157 0.566) 22.247 13.486 ( 9.730 10.512 2.604) 14.559 13.928 ( -1.474 4.501 -5.155) 7.001 14.026 ( -2.795 -1.759 2.998) 4.460 14.273 ( 0.253 4.200 4.638) 6.262 14.293 ( 2.179 -2.845 -3.959) 5.340 15.492 ( 2.834 -8.441 9.647) 13.127 15.914 ( -0.440 4.269 -4.644) 6.323 16.238 ( 5.050 3.126 -2.895) 6.608 16.712 ( -1.635 6.603 -11.268) 13.163 17.081 ( -4.888 -9.045 2.263) 10.527 17.941 ( -1.315 0.245 13.957) 14.021 18.371 ( -0.051 -2.434 -13.511) 13.729 18.776 ( -15.251 -10.749 2.268) 18.796 19.603 ( -3.230 14.239 2.740) 14.856 19.656 ( 5.195 -3.121 3.970) 7.245 20.106 ( -4.341 0.206 -5.197) 6.775 20.435 ( -0.301 3.877 0.147) 3.891 20.963 ( -10.980 -1.261 4.868) 12.077 21.370 ( 3.679 2.988 -8.386) 9.633 21.524 ( 5.828 -6.777 -0.650) 8.962 21.916 ( -2.873 -5.606 1.701) 6.525 22.491 ( 0.368 7.753 3.087) 8.353 22.897 ( 12.427 -0.065 -1.013) 12.468 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -7.854 -6.083 -7.442) 12.412 1.929 ( -5.193 8.774 -0.593) 10.213 2.357 ( -11.995 1.694 3.852) 12.711 2.666 ( 6.269 7.556 -6.121) 11.570 2.928 ( -0.794 -10.343 -4.015) 11.123 3.026 ( 2.409 -4.857 7.065) 8.905 3.199 ( -4.315 8.295 3.958) 10.153 3.356 ( -1.057 1.379 8.200) 8.382 3.610 ( -6.913 0.991 -0.417) 6.996 3.907 ( -10.222 2.292 -3.325) 10.991 3.991 ( -9.629 2.215 4.088) 10.692 4.210 ( -1.216 4.001 0.723) 4.244 4.359 ( 1.028 4.466 -4.129) 6.169 4.545 ( -5.031 -3.691 0.860) 6.299 4.719 ( 2.617 0.410 -1.933) 3.279 4.955 ( -4.012 -7.469 -6.082) 10.434 5.026 ( 4.803 0.356 2.957) 5.652 5.240 ( 2.697 -0.812 1.486) 3.184 5.389 ( 0.471 -2.110 -5.763) 6.155 5.496 ( 1.257 3.091 -0.861) 3.446 5.588 ( 1.685 1.844 1.778) 3.066 5.718 ( 1.846 -4.502 -5.100) 7.049 5.730 ( 4.781 -2.591 -2.905) 6.166 5.808 ( 8.903 -1.915 3.524) 9.764 6.046 ( -0.617 -2.123 7.858) 8.164 6.128 ( -5.167 2.143 -2.785) 6.249 6.529 ( -4.066 2.559 -2.310) 5.330 6.611 ( 4.390 -5.778 -0.765) 7.296 6.817 ( 1.924 5.109 3.736) 6.616 7.446 ( -0.521 0.208 -1.213) 1.337 7.800 ( -2.869 -5.859 1.825) 6.774 8.326 ( 9.521 -3.811 -2.599) 10.579 8.487 ( -5.285 3.867 0.755) 6.592 8.693 ( 3.261 7.490 2.432) 8.524 9.086 ( -1.208 -2.483 3.805) 4.701 9.217 ( 4.795 8.995 12.106) 15.826 9.333 ( 5.636 1.064 -3.207) 6.571 9.480 ( 3.412 -1.262 -3.077) 4.765 9.699 ( -4.290 -6.332 2.807) 8.148 9.927 ( -6.629 -1.500 -3.864) 7.818 10.053 ( -7.420 1.751 -3.748) 8.495 10.262 ( 4.730 -0.392 -13.083) 13.918 10.699 ( 13.341 -3.518 1.826) 13.917 11.030 ( -2.625 -6.404 8.858) 11.241 11.254 ( 1.855 4.378 -0.264) 4.762 11.605 ( -2.121 -3.200 3.822) 5.417 11.851 ( -3.363 3.797 -0.698) 5.120 12.119 ( -2.042 -4.906 -4.061) 6.688 12.370 ( -16.512 7.943 -0.375) 18.327 12.848 ( 6.432 1.857 1.693) 6.906 12.912 ( 8.001 -0.014 -0.156) 8.003 13.313 ( 17.855 -8.539 0.743) 19.805 13.651 ( 3.883 0.964 2.352) 4.641 13.925 ( -4.033 5.222 -1.451) 6.756 13.959 ( -5.238 2.141 2.346) 6.125 14.305 ( 3.443 -0.905 -1.966) 4.067 14.375 ( 4.877 0.894 2.727) 5.659 15.516 ( 0.251 -0.381 13.502) 13.510 15.941 ( 5.109 -3.620 -7.605) 9.851 16.362 ( 3.493 -7.137 -13.652) 15.796 16.537 ( 2.028 -4.452 -10.114) 11.235 17.083 ( -5.186 13.999 12.320) 19.356 17.987 ( 3.799 -6.161 7.342) 10.310 18.254 ( -3.308 1.995 -16.903) 17.338 18.473 ( -10.125 -7.072 8.950) 15.252 19.427 ( -18.216 -2.807 3.665) 18.792 19.720 ( -5.531 11.858 1.886) 13.220 20.150 ( -2.484 3.201 -6.607) 7.750 20.453 ( 0.904 7.344 5.726) 9.357 20.732 ( -16.921 2.000 5.107) 17.788 21.386 ( 7.086 -8.762 -9.257) 14.583 21.609 ( 9.944 -3.706 -2.066) 10.811 21.918 ( 5.453 -1.958 2.749) 6.413 22.554 ( -2.604 5.496 3.310) 6.924 23.121 ( 14.366 -3.229 -2.267) 14.898 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -3.489 5.862 -9.675) 11.839 2.188 ( -9.844 9.035 0.899) 13.391 2.415 ( 2.780 8.083 4.036) 9.453 2.632 ( -3.836 -1.552 1.528) 4.411 2.816 ( 0.418 -1.086 -2.220) 2.506 2.911 ( 3.044 -7.091 4.731) 9.051 3.275 ( 0.938 1.178 4.110) 4.377 3.474 ( -4.688 1.468 -4.478) 6.647 3.522 ( -11.926 -1.406 -1.307) 12.080 3.815 ( -1.886 10.956 7.114) 13.199 4.119 ( 0.046 5.806 -2.361) 6.268 4.252 ( -1.702 -6.536 4.371) 8.045 4.375 ( -8.842 7.080 6.470) 13.045 4.597 ( -0.644 7.317 -6.820) 10.023 4.691 ( 3.301 -3.212 -2.677) 5.328 4.955 ( 3.350 -1.273 5.969) 6.962 5.094 ( -2.159 8.779 2.100) 9.281 5.267 ( 10.429 -4.238 -0.779) 11.284 5.328 ( 2.990 0.932 -6.249) 6.990 5.482 ( -2.630 -1.196 -1.699) 3.351 5.553 ( -1.035 -1.357 -1.597) 2.338 5.568 ( 4.015 -6.506 -2.559) 8.062 5.734 ( 1.697 -0.858 2.414) 3.073 5.881 ( 6.787 -2.984 -1.670) 7.600 6.045 ( -0.862 1.318 -1.712) 2.326 6.251 ( -4.125 4.796 6.110) 8.795 6.442 ( 3.923 -2.937 -4.004) 6.329 6.543 ( -1.265 0.737 -0.814) 1.675 6.839 ( -2.653 -4.514 2.481) 5.794 7.601 ( 5.852 4.016 -4.429) 8.366 7.666 ( -3.207 -0.141 0.845) 3.320 8.124 ( -3.090 -2.769 -2.804) 5.008 8.488 ( -1.014 0.095 2.854) 3.030 8.755 ( -11.524 -10.055 -2.026) 15.428 9.118 ( -4.624 -3.899 7.298) 9.479 9.201 ( -0.785 6.182 -6.339) 8.889 9.263 ( 4.225 -6.892 -4.214) 9.117 9.444 ( 5.590 -4.083 -4.561) 8.290 9.766 ( -5.013 4.403 3.117) 7.364 9.984 ( -1.332 8.846 -2.065) 9.181 10.023 ( 6.911 2.818 3.583) 8.279 10.329 ( 5.789 2.227 -5.735) 8.448 10.729 ( 9.601 -8.380 -0.036) 12.743 11.038 ( 2.416 -2.794 14.771) 15.226 11.281 ( -1.899 1.903 -0.730) 2.786 11.450 ( -3.693 -4.626 -0.802) 5.973 11.924 ( -4.615 8.191 -7.051) 11.752 12.085 ( -0.326 0.898 6.685) 6.753 12.377 ( -8.072 11.176 -4.962) 14.652 12.695 ( -6.325 -6.537 0.238) 9.099 12.945 ( 10.184 -6.713 1.288) 12.266 13.406 ( 13.092 -10.421 -2.556) 16.927 13.689 ( 0.717 -5.619 -1.507) 5.862 13.920 ( -5.135 2.355 -0.067) 5.649 14.044 ( -0.723 1.942 6.050) 6.396 14.180 ( -2.150 -4.995 -4.091) 6.805 14.467 ( 3.724 -4.141 2.520) 6.112 15.315 ( -11.743 2.563 -16.466) 20.386 16.104 ( 8.500 0.878 -3.271) 9.150 16.165 ( 11.909 2.883 21.493) 24.740 16.511 ( 2.456 -8.874 2.985) 9.679 17.540 ( 0.969 -10.006 -16.132) 19.008 17.631 ( -4.974 17.303 1.226) 18.045 18.326 ( 0.925 -7.880 10.747) 13.358 18.604 ( 9.581 18.010 -3.032) 20.624 19.393 ( -19.168 9.818 9.699) 23.619 19.656 ( -12.604 1.126 -5.478) 13.789 20.020 ( -3.230 3.950 -4.469) 6.783 20.391 ( -13.440 3.699 -2.360) 14.138 21.149 ( 2.953 4.416 20.813) 21.480 21.263 ( 12.090 -3.802 -2.102) 12.847 21.544 ( 9.045 -8.386 -4.281) 13.057 22.017 ( 8.973 -0.081 -4.006) 9.827 22.516 ( -11.594 -1.887 1.467) 11.838 23.077 ( 9.394 -10.118 -4.503) 14.523 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 4.438 5.210 -6.378) 9.356 2.084 ( -17.347 14.122 -3.824) 22.693 2.442 ( -6.112 2.423 4.784) 8.131 2.596 ( 5.227 0.405 -2.763) 5.927 2.897 ( 1.005 5.352 1.721) 5.711 2.954 ( 10.820 -6.247 5.400) 13.611 3.246 ( -9.780 -2.090 1.151) 10.067 3.399 ( -2.738 -2.101 4.852) 5.954 3.434 ( 1.387 8.523 -4.641) 9.803 3.907 ( -5.175 15.473 8.635) 18.460 4.109 ( 0.244 -3.894 -1.731) 4.269 4.251 ( -8.760 7.278 4.113) 12.109 4.340 ( 1.978 3.495 5.721) 6.990 4.619 ( 0.321 3.471 -7.570) 8.334 4.713 ( -0.011 0.249 -0.260) 0.360 4.922 ( -0.026 -8.206 3.343) 8.861 5.191 ( -0.538 4.490 1.248) 4.691 5.296 ( -3.601 4.885 -10.284) 11.941 5.331 ( -2.365 -1.741 0.162) 2.942 5.472 ( 5.048 -2.646 -4.160) 7.056 5.527 ( 0.688 3.134 -1.347) 3.480 5.658 ( 10.232 -5.658 2.497) 11.956 5.708 ( 0.961 -3.982 -2.879) 5.007 5.899 ( -1.426 -3.065 6.171) 7.036 6.121 ( 6.242 0.068 -4.634) 7.774 6.208 ( -6.300 -1.196 6.293) 8.985 6.465 ( -1.077 6.046 -1.248) 6.266 6.565 ( 4.833 -0.993 -0.439) 4.954 6.751 ( -0.504 -7.638 0.755) 7.692 7.554 ( -3.609 -0.428 1.370) 3.884 7.833 ( 10.963 7.096 -10.880) 16.997 8.009 ( -6.899 -2.622 1.423) 7.517 8.457 ( -1.731 -4.756 -6.101) 7.927 8.548 ( 0.220 2.978 5.476) 6.237 8.939 ( -10.625 1.205 3.406) 11.222 9.209 ( 2.215 -6.037 -5.747) 8.624 9.244 ( -0.259 -8.723 -1.550) 8.864 9.516 ( 6.388 -3.876 -1.824) 7.692 9.832 ( 0.823 12.579 4.402) 13.352 9.940 ( -4.894 -0.433 0.666) 4.958 10.165 ( 2.404 2.367 -1.065) 3.538 10.377 ( -0.321 0.586 -7.710) 7.739 10.747 ( 4.146 -11.705 -2.895) 12.751 11.124 ( 2.795 -5.581 20.222) 21.163 11.290 ( -0.004 5.168 2.293) 5.654 11.390 ( 0.823 -0.439 -4.479) 4.575 11.877 ( -4.157 5.686 -4.470) 8.342 12.135 ( -2.488 8.936 0.049) 9.276 12.389 ( -2.511 9.639 0.676) 9.983 12.574 ( 1.589 -4.096 -0.151) 4.396 13.020 ( 6.689 -10.697 0.454) 12.625 13.493 ( 8.189 -9.933 -0.300) 12.877 13.568 ( 0.573 -14.525 -1.267) 14.592 13.859 ( -4.385 2.001 0.059) 4.821 14.009 ( -10.334 1.456 -3.365) 10.965 14.155 ( 7.947 0.712 1.508) 8.120 14.480 ( 2.992 -6.603 2.749) 7.753 15.174 ( -6.406 8.372 -8.994) 13.857 16.166 ( 3.203 -12.212 3.975) 13.237 16.367 ( 9.572 -0.912 -4.586) 10.653 16.669 ( 9.207 5.874 17.690) 20.790 17.257 ( -7.911 -10.265 -15.033) 19.848 17.829 ( 0.470 17.545 1.162) 17.589 18.291 ( -0.293 -6.954 9.064) 11.428 18.913 ( -9.879 3.506 6.367) 12.265 19.081 ( -2.766 12.621 -11.433) 17.252 19.581 ( -9.017 13.575 3.871) 16.750 20.029 ( 0.641 4.494 -2.918) 5.397 20.235 ( -10.083 13.234 -2.944) 16.896 21.201 ( -3.540 -5.976 12.242) 14.075 21.463 ( 12.722 -4.514 6.189) 14.851 21.629 ( 10.024 -7.500 -1.569) 12.617 22.137 ( 2.034 -4.165 1.508) 4.874 22.280 ( -7.291 0.448 -5.886) 9.381 23.086 ( 7.081 -12.672 -5.144) 15.401 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.657 -4.282 -2.421) 6.773 1.890 ( -11.306 15.246 -3.615) 19.322 2.490 ( 2.727 7.127 2.701) 8.095 2.655 ( -1.287 5.538 -4.542) 7.277 2.923 ( 0.264 -0.618 -0.444) 0.805 3.119 ( 0.265 -2.004 -0.699) 2.139 3.173 ( 9.477 -0.691 6.158) 11.323 3.285 ( -7.879 -4.220 8.092) 12.057 3.563 ( 4.067 9.042 -3.226) 10.426 4.031 ( -1.295 6.550 3.436) 7.509 4.102 ( 0.813 2.895 -1.846) 3.528 4.155 ( -10.742 11.908 11.006) 19.451 4.474 ( 3.490 4.496 0.844) 5.754 4.620 ( 0.055 -0.195 -4.817) 4.821 4.653 ( -5.360 2.199 0.201) 5.797 4.907 ( 5.392 -6.210 2.440) 8.578 5.152 ( -2.946 -4.086 -0.282) 5.046 5.174 ( -6.398 -2.487 0.967) 6.932 5.327 ( 0.453 7.431 -10.476) 12.852 5.482 ( 4.291 -6.356 -8.715) 11.609 5.577 ( -2.428 0.088 1.065) 2.653 5.651 ( 0.997 -1.627 -2.628) 3.247 5.742 ( -0.127 -1.425 0.949) 1.717 5.941 ( 5.586 -2.570 8.596) 10.569 6.072 ( -6.328 -6.587 7.405) 11.758 6.139 ( 0.501 -1.398 -4.388) 4.633 6.517 ( 1.312 0.977 0.563) 1.730 6.651 ( 2.105 0.486 -2.668) 3.434 6.752 ( 6.152 3.755 1.589) 7.381 7.532 ( -0.980 1.443 2.102) 2.732 7.797 ( -7.234 -4.026 -0.198) 8.281 8.044 ( 6.079 3.029 -8.212) 10.657 8.538 ( 7.802 2.978 -1.866) 8.557 8.612 ( 1.511 3.293 3.104) 4.771 8.874 ( -1.246 6.441 1.196) 6.669 9.062 ( -2.725 -11.348 0.401) 11.678 9.226 ( 6.229 -2.702 -2.641) 7.285 9.509 ( -2.118 -2.711 -5.383) 6.388 9.823 ( -4.768 -8.749 3.880) 10.692 9.949 ( -5.227 9.042 -0.954) 10.488 10.158 ( -2.337 0.945 -6.152) 6.649 10.312 ( -1.341 -0.467 1.635) 2.166 10.644 ( 0.945 -11.922 -3.003) 12.331 11.170 ( 0.742 -6.128 15.387) 16.579 11.307 ( -2.714 3.259 -6.596) 7.842 11.513 ( 7.372 7.764 6.219) 12.382 11.912 ( 2.065 6.255 -0.389) 6.599 12.109 ( -6.646 5.485 -3.410) 9.267 12.488 ( 0.059 10.696 1.365) 10.782 12.645 ( 7.660 -4.105 -2.913) 9.166 12.994 ( 3.016 -8.789 1.452) 9.405 13.343 ( 0.908 -21.807 1.774) 21.898 13.590 ( 4.589 -2.117 0.143) 5.056 13.786 ( -5.489 2.130 -2.326) 6.331 13.888 ( -3.937 3.420 -2.026) 5.594 14.314 ( 5.840 2.860 -0.758) 6.547 14.467 ( 2.074 -6.766 3.758) 8.013 15.128 ( -3.538 5.197 -5.732) 8.508 16.084 ( 0.416 -10.561 4.594) 11.525 16.500 ( 8.152 -2.870 -2.974) 9.139 16.921 ( 3.046 2.047 6.003) 7.036 16.981 ( -5.939 -1.302 -6.903) 9.199 17.978 ( 1.439 7.459 3.720) 8.459 18.257 ( -5.013 -0.205 3.833) 6.314 18.538 ( -13.939 -3.620 -1.039) 14.439 19.414 ( 8.478 18.670 -1.170) 20.538 19.573 ( -4.586 7.718 2.112) 9.222 20.043 ( -1.733 7.383 -8.411) 11.325 20.323 ( 1.265 10.724 2.784) 11.152 21.086 ( -5.965 -2.513 6.666) 9.291 21.587 ( 2.982 -10.538 0.127) 10.953 21.699 ( 7.399 -7.243 10.236) 14.559 21.956 ( -7.603 -2.859 -0.462) 8.136 22.324 ( 4.501 2.447 -6.503) 8.278 23.029 ( 3.550 -12.289 -4.818) 13.669 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -4.409 3.853 -9.205) 10.910 1.995 ( 5.073 1.174 5.827) 7.814 2.609 ( -4.068 1.742 -1.973) 4.845 2.660 ( 0.879 10.629 1.602) 10.785 2.903 ( -0.065 -1.811 1.827) 2.573 3.108 ( -5.406 -2.665 7.825) 9.877 3.168 ( 4.277 -2.397 -5.951) 7.711 3.310 ( 3.893 -2.506 -0.113) 4.631 3.734 ( 4.647 6.727 -0.770) 8.212 3.984 ( -8.604 2.696 2.864) 9.461 4.091 ( 3.075 2.632 -2.484) 4.749 4.290 ( 1.175 6.994 7.125) 10.053 4.532 ( -4.343 5.380 5.049) 8.562 4.589 ( 5.249 -3.055 -1.105) 6.173 4.665 ( -0.802 4.516 -3.998) 6.084 4.965 ( 3.922 -3.948 2.831) 6.244 5.048 ( -3.624 -1.637 -0.636) 4.027 5.072 ( -2.841 0.865 -1.289) 3.237 5.375 ( 0.190 3.839 -3.001) 4.876 5.419 ( 0.066 -6.826 -3.244) 7.558 5.478 ( -1.844 -4.712 -3.181) 5.977 5.646 ( -0.366 0.008 -0.574) 0.681 5.736 ( 0.748 0.015 -0.247) 0.788 5.946 ( -0.251 -5.754 2.969) 6.480 6.032 ( 1.429 -0.516 2.445) 2.879 6.138 ( -0.221 1.459 -0.612) 1.598 6.524 ( 1.189 -3.096 -0.494) 3.353 6.655 ( 0.092 -0.401 -1.001) 1.082 6.917 ( -0.374 8.025 1.642) 8.200 7.524 ( 0.177 -0.541 0.495) 0.754 7.717 ( 0.337 -0.365 1.393) 1.479 8.084 ( 1.377 -1.037 -5.654) 5.910 8.563 ( -3.177 5.927 1.736) 6.945 8.742 ( 5.133 -4.257 -0.924) 6.732 8.867 ( -3.080 -1.137 0.806) 3.380 9.064 ( 6.889 -2.262 0.534) 7.270 9.389 ( -0.341 -2.718 2.069) 3.433 9.419 ( 10.583 5.859 -6.884) 13.918 9.565 ( -14.066 -8.597 0.161) 16.486 9.902 ( -2.649 3.905 0.575) 4.754 10.079 ( -3.048 0.232 -4.836) 5.721 10.368 ( 2.134 1.695 4.587) 5.335 10.547 ( 0.416 -8.064 -0.342) 8.082 11.163 ( -0.657 -2.142 1.857) 2.909 11.278 ( -0.241 0.951 0.324) 1.033 11.728 ( 4.396 4.939 4.089) 7.774 11.972 ( -7.795 8.473 -0.252) 11.516 12.102 ( 7.994 -1.492 -0.331) 8.139 12.565 ( -1.630 0.274 1.293) 2.098 12.663 ( -0.336 7.668 -6.998) 10.387 12.940 ( 0.681 -13.720 3.667) 14.218 13.202 ( -0.131 -9.194 0.384) 9.202 13.623 ( 0.888 -0.700 -1.367) 1.773 13.738 ( -0.508 1.044 -0.379) 1.222 13.884 ( 0.411 1.355 -0.347) 1.458 14.370 ( -1.086 2.506 -2.363) 3.612 14.460 ( 1.132 -4.398 3.676) 5.843 15.117 ( 1.435 1.505 -4.543) 4.997 16.022 ( -0.315 -4.914 2.771) 5.650 16.547 ( 0.894 -2.269 -1.184) 2.711 16.779 ( -5.630 -2.164 3.435) 6.941 17.068 ( 1.397 3.670 -0.392) 3.946 18.067 ( -6.262 7.220 -6.107) 11.342 18.148 ( 5.710 -0.327 -0.256) 5.725 18.458 ( 3.114 -4.847 6.410) 8.619 19.545 ( -7.670 9.774 7.628) 14.579 19.715 ( 8.411 5.236 -5.190) 11.185 20.089 ( 1.354 6.209 -7.600) 9.907 20.351 ( -4.686 0.022 3.824) 6.048 21.116 ( 3.118 8.999 5.293) 10.896 21.406 ( -4.911 -13.024 1.319) 13.981 21.805 ( 2.294 -3.849 1.253) 4.653 21.859 ( -0.214 -0.024 0.470) 0.517 22.363 ( 0.207 0.798 -2.665) 2.789 22.936 ( -0.124 -7.793 -2.984) 8.346 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.339 7.491 -9.079) 11.775 2.082 ( 6.448 -7.648 6.718) 12.050 2.471 ( -11.443 1.937 6.354) 13.231 2.772 ( 1.382 4.416 -4.798) 6.665 2.930 ( 3.472 -4.783 3.677) 6.961 3.049 ( 0.532 -1.235 8.756) 8.858 3.204 ( -2.331 1.885 -4.865) 5.714 3.297 ( 3.096 -0.083 -10.228) 10.687 3.735 ( -3.584 -8.172 1.879) 9.119 3.936 ( -2.371 7.813 -0.415) 8.175 4.230 ( 8.451 0.598 -2.385) 8.801 4.366 ( 1.995 -3.435 4.263) 5.827 4.483 ( -4.986 1.184 -5.352) 7.410 4.636 ( 2.665 -1.835 -2.283) 3.960 4.683 ( -0.206 2.485 7.773) 8.163 4.913 ( -2.147 -3.812 -2.621) 5.100 5.044 ( -0.141 5.059 2.050) 5.460 5.124 ( 5.519 1.641 -1.303) 5.903 5.348 ( -2.750 -1.654 3.763) 4.945 5.389 ( -1.388 -0.012 3.703) 3.955 5.461 ( 3.098 1.565 -0.605) 3.523 5.637 ( -0.761 -0.094 0.890) 1.174 5.760 ( 1.725 0.731 -2.278) 2.949 5.980 ( 4.542 -0.254 -4.140) 6.151 6.026 ( 1.296 1.654 -6.136) 6.486 6.118 ( -3.109 -1.613 5.494) 6.516 6.505 ( -0.230 -0.666 -2.630) 2.722 6.635 ( -1.821 -0.428 0.581) 1.958 6.851 ( -10.165 -0.466 2.491) 10.476 7.607 ( 7.493 0.922 -1.971) 7.802 7.731 ( 1.390 -0.424 -1.382) 2.005 8.046 ( -2.348 -2.335 0.851) 3.419 8.572 ( -6.015 2.151 1.100) 6.482 8.710 ( 1.419 -4.682 -1.717) 5.185 8.861 ( 0.996 3.742 0.518) 3.907 9.051 ( 0.167 -9.758 1.217) 9.835 9.221 ( -10.870 -1.454 -4.614) 11.898 9.439 ( 3.586 -0.961 6.485) 7.472 9.678 ( 7.425 7.626 -4.211) 11.446 9.997 ( 5.294 5.232 3.043) 8.041 10.059 ( 1.072 2.620 0.362) 2.854 10.401 ( 1.202 -2.937 0.923) 3.305 10.485 ( -1.913 -1.280 0.781) 2.431 11.147 ( -0.999 3.454 -3.965) 5.353 11.317 ( 3.282 -1.607 3.250) 4.890 11.734 ( -3.164 -6.137 -4.546) 8.267 11.902 ( -6.749 5.556 1.134) 8.815 12.238 ( 10.034 -6.027 -0.085) 11.705 12.487 ( -5.770 2.262 3.100) 6.930 12.780 ( 2.676 -2.987 3.158) 5.104 12.841 ( 2.850 2.835 -4.667) 6.160 13.053 ( -10.800 0.046 -1.473) 10.901 13.581 ( -5.068 0.191 -2.339) 5.584 13.788 ( 4.380 0.588 1.096) 4.553 13.918 ( 3.057 -1.050 1.837) 3.717 14.356 ( -2.328 2.710 -0.394) 3.594 14.403 ( -4.368 -2.763 -0.318) 5.179 15.178 ( 6.763 -1.444 -2.376) 7.312 15.993 ( -1.112 0.934 -0.729) 1.625 16.474 ( -6.267 -1.311 -0.743) 6.446 16.758 ( -2.141 4.084 12.278) 13.115 17.082 ( 0.662 -1.861 -3.072) 3.652 18.060 ( 3.701 8.346 -13.885) 16.617 18.263 ( -0.092 0.066 1.299) 1.304 18.566 ( 17.338 -10.070 7.021) 21.244 19.511 ( -8.767 6.181 5.871) 12.228 19.770 ( -0.142 -6.512 -7.790) 10.155 20.074 ( 0.114 -1.881 4.568) 4.941 20.377 ( 1.372 6.869 -1.024) 7.079 21.197 ( -0.566 -11.583 3.431) 12.093 21.361 ( 3.881 9.171 4.646) 10.989 21.678 ( -9.184 5.269 -14.174) 17.692 21.954 ( 8.086 -3.225 4.056) 9.604 22.327 ( -3.970 -1.224 2.100) 4.655 22.859 ( -3.096 0.263 -0.034) 3.108 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -2.633 -0.049 -2.396) 3.561 2.215 ( 13.219 -3.337 8.820) 16.238 2.362 ( -6.608 3.748 4.513) 8.837 2.743 ( -2.669 -0.516 -9.013) 9.414 2.912 ( 0.860 -7.565 4.211) 8.701 3.058 ( -8.233 -3.374 -4.919) 10.167 3.197 ( 10.075 2.665 1.214) 10.492 3.359 ( 2.256 4.760 -5.947) 7.945 3.589 ( -2.572 -9.907 4.574) 11.211 3.972 ( -1.518 6.474 -0.818) 6.700 4.225 ( -0.116 -10.683 -3.745) 11.321 4.378 ( -4.742 -1.598 -1.126) 5.129 4.418 ( 5.472 1.926 -3.968) 7.029 4.671 ( -1.418 0.938 0.543) 1.785 4.677 ( -1.070 -1.478 3.402) 3.861 4.932 ( 8.925 -3.647 -5.591) 11.146 5.113 ( -0.218 6.859 3.897) 7.892 5.253 ( 5.663 1.533 0.695) 5.908 5.304 ( -3.872 3.599 2.925) 6.041 5.366 ( -0.460 -3.644 5.762) 6.833 5.555 ( 1.035 5.139 3.475) 6.289 5.605 ( -3.109 -1.422 3.143) 4.644 5.724 ( -5.564 -3.085 -7.191) 9.601 5.949 ( 2.030 -0.675 -8.954) 9.206 6.073 ( -3.244 -1.276 9.458) 10.080 6.187 ( 10.170 4.504 -5.471) 12.395 6.465 ( -4.478 0.739 -0.923) 4.631 6.615 ( -0.142 2.903 -0.144) 2.910 6.673 ( -6.274 -3.979 1.675) 7.616 7.650 ( 4.724 -7.907 -2.423) 9.524 7.836 ( 1.784 3.272 2.999) 4.783 7.955 ( -3.028 0.714 0.290) 3.124 8.417 ( -4.512 -4.253 3.198) 6.977 8.684 ( -1.347 -2.539 -6.124) 6.765 8.960 ( 1.529 8.597 1.784) 8.912 9.021 ( 5.834 -3.884 -1.213) 7.113 9.137 ( -0.297 2.564 1.322) 2.900 9.451 ( -4.077 -0.723 4.088) 5.819 9.848 ( 5.535 7.290 -3.979) 9.981 10.070 ( -2.869 3.514 5.528) 7.151 10.124 ( 4.199 -8.513 0.264) 9.496 10.410 ( 2.129 -3.365 1.511) 4.259 10.486 ( -2.166 10.030 1.521) 10.373 11.149 ( -1.585 5.966 -9.982) 11.737 11.349 ( 0.334 -4.762 6.605) 8.149 11.542 ( -2.441 -9.810 -8.870) 13.449 11.879 ( -1.148 2.632 3.924) 4.862 12.322 ( 6.731 -8.700 -0.152) 11.001 12.451 ( -3.920 5.592 2.580) 7.300 12.694 ( 5.872 -19.065 -1.282) 19.990 12.829 ( -9.282 5.890 -0.760) 11.020 13.133 ( 5.145 22.085 -1.078) 22.702 13.417 ( -13.984 2.662 -0.511) 14.245 13.876 ( 4.187 1.119 -1.637) 4.632 13.985 ( 3.669 -1.921 6.222) 7.474 14.268 ( -2.391 -6.729 0.112) 7.142 14.361 ( -3.399 7.151 -3.197) 8.539 15.276 ( 7.653 -5.669 1.990) 9.730 15.999 ( -1.486 6.685 -3.867) 7.865 16.324 ( -8.551 -0.773 1.865) 8.786 16.829 ( -4.119 8.758 1.268) 9.761 17.055 ( 3.740 -7.363 2.351) 8.587 18.155 ( -2.277 -14.965 12.436) 19.590 18.195 ( 3.055 13.392 -20.355) 24.556 18.904 ( 23.588 -1.895 0.332) 23.666 19.336 ( -12.065 -11.893 7.673) 18.598 19.681 ( -0.799 5.232 -3.799) 6.515 20.139 ( 6.888 -6.915 1.854) 9.935 20.403 ( -0.911 -1.740 -0.362) 1.997 21.138 ( 0.477 -1.154 3.753) 3.955 21.433 ( -5.672 5.476 -8.006) 11.236 21.541 ( -6.018 3.328 -2.669) 7.377 22.108 ( 5.975 0.745 -6.410) 8.794 22.245 ( -0.471 -1.781 9.301) 9.482 22.835 ( -4.608 6.995 2.377) 8.708 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.539 -4.400 7.699) 9.224 2.289 ( -3.565 -0.786 -3.829) 5.290 2.548 ( 12.924 10.258 4.567) 17.121 2.618 ( -5.336 -3.138 -4.395) 7.592 2.837 ( -0.405 -8.525 -6.064) 10.470 2.891 ( -2.822 -2.822 1.572) 4.289 3.306 ( -3.370 0.812 -1.255) 3.687 3.457 ( 5.814 0.282 -2.036) 6.166 3.509 ( 3.026 -3.536 6.582) 8.061 4.033 ( 0.590 5.009 2.104) 5.465 4.104 ( 0.099 -7.358 -4.800) 8.785 4.264 ( -3.960 -1.931 -2.736) 5.187 4.496 ( 3.666 -0.965 -2.055) 4.312 4.600 ( -6.837 4.821 2.300) 8.676 4.734 ( 7.712 -4.902 -3.311) 9.720 4.968 ( -0.148 -0.455 -4.831) 4.855 5.136 ( -6.671 1.022 5.855) 8.934 5.270 ( -4.436 0.752 2.478) 5.137 5.340 ( 2.839 -2.707 -4.243) 5.779 5.411 ( 3.180 4.614 1.882) 5.912 5.506 ( -3.777 -6.067 -0.643) 7.175 5.563 ( 0.019 -1.577 3.313) 3.669 5.666 ( 2.817 5.280 2.466) 6.473 5.885 ( -6.797 -2.105 -4.769) 8.566 6.052 ( 0.125 -2.244 5.609) 6.042 6.318 ( -0.479 1.533 -2.862) 3.282 6.407 ( 1.911 -0.202 -2.548) 3.192 6.583 ( -0.579 -3.842 3.024) 4.924 6.715 ( 3.686 8.770 -1.305) 9.602 7.665 ( -3.905 -5.338 1.887) 6.878 7.694 ( 0.924 -5.356 2.408) 5.945 8.086 ( 4.953 4.017 -2.327) 6.789 8.461 ( 5.480 3.426 6.054) 8.856 8.623 ( 2.769 0.806 -5.589) 6.289 9.061 ( -1.941 7.278 1.902) 7.769 9.096 ( 2.567 4.721 -6.857) 8.712 9.218 ( 4.859 0.039 10.035) 11.150 9.360 ( -4.659 -1.170 0.814) 4.872 9.914 ( 0.319 -2.793 -5.380) 6.070 10.024 ( -7.079 -0.008 6.834) 9.839 10.133 ( 8.700 -7.495 -1.248) 11.551 10.351 ( -6.681 -0.954 0.986) 6.820 10.554 ( -4.115 8.076 0.691) 9.090 11.123 ( -0.663 3.250 -15.249) 15.606 11.287 ( -4.298 -3.350 10.401) 11.742 11.461 ( 5.510 -5.131 -5.683) 9.433 11.934 ( 1.345 0.710 6.324) 6.504 12.245 ( -2.150 -7.236 -4.421) 8.748 12.523 ( 4.253 1.494 0.111) 4.509 12.674 ( 12.879 -13.414 1.011) 18.623 12.790 ( -5.805 9.255 -0.085) 10.925 13.161 ( -17.777 9.105 2.201) 20.094 13.467 ( 7.294 14.741 1.262) 16.495 13.942 ( 2.701 1.981 -3.485) 4.834 14.029 ( 0.138 -1.368 6.606) 6.748 14.209 ( 2.586 -4.383 -3.631) 6.252 14.365 ( -2.844 6.293 -0.136) 6.907 15.345 ( 6.736 -8.496 7.954) 13.447 16.015 ( -4.798 6.691 -3.437) 8.923 16.231 ( -1.753 2.841 0.777) 3.428 16.687 ( -6.416 -6.878 -22.251) 24.158 17.159 ( 1.668 6.977 18.180) 19.545 17.989 ( -3.070 -15.315 11.764) 19.554 18.276 ( 2.447 7.340 -19.437) 20.920 18.915 ( -13.402 -14.746 3.533) 20.237 19.399 ( 22.292 2.676 3.808) 22.772 19.755 ( 0.792 4.683 -0.760) 4.810 20.083 ( -0.516 -9.898 -2.708) 10.275 20.428 ( 4.785 0.065 1.873) 5.139 21.159 ( -5.986 3.301 7.765) 10.346 21.324 ( -1.858 2.566 -16.062) 16.372 21.445 ( -4.796 -1.690 -1.506) 5.304 21.999 ( -8.462 -2.518 3.987) 9.687 22.461 ( 12.386 4.033 1.226) 13.083 22.849 ( -3.678 7.905 2.615) 9.103 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 5.480 -5.014 6.020) 9.560 2.173 ( -8.700 9.383 -8.503) 15.363 2.485 ( -2.812 -8.541 4.150) 9.904 2.701 ( -0.469 -0.022 -8.601) 8.614 2.801 ( -0.773 1.355 -0.402) 1.611 2.927 ( 6.861 -5.036 5.598) 10.187 3.278 ( 2.668 7.447 -4.580) 9.141 3.433 ( -3.304 -1.351 9.205) 9.873 3.656 ( 3.984 2.845 0.346) 4.907 3.933 ( -3.470 -9.639 -3.048) 10.688 4.128 ( -1.490 -0.930 3.070) 3.537 4.252 ( 3.816 8.301 -8.389) 12.403 4.488 ( -3.875 -1.355 2.781) 4.959 4.564 ( -3.028 2.500 6.219) 7.355 4.797 ( 7.228 -6.560 -4.840) 10.895 4.912 ( -12.114 6.352 0.060) 13.678 4.976 ( -2.341 -1.974 -3.823) 4.898 5.220 ( -3.043 0.552 -0.134) 3.095 5.257 ( 3.810 -10.212 -2.089) 11.098 5.512 ( 2.275 1.110 -1.408) 2.896 5.520 ( 2.265 1.784 2.159) 3.602 5.590 ( 2.893 -3.685 1.801) 5.019 5.707 ( -3.790 -1.503 -2.310) 4.685 5.781 ( 1.176 3.834 2.088) 4.521 6.068 ( 0.535 -0.973 5.088) 5.208 6.268 ( -6.039 5.715 -0.481) 8.328 6.430 ( 5.030 -6.436 -4.896) 9.523 6.570 ( 0.082 -1.847 2.444) 3.064 6.860 ( 3.005 6.326 -0.802) 7.049 7.497 ( -5.833 -2.025 1.847) 6.445 7.770 ( 4.184 -2.200 2.848) 5.519 8.144 ( 3.144 -1.285 -3.935) 5.198 8.559 ( 3.912 2.256 -0.501) 4.544 8.759 ( -1.975 6.184 -0.256) 6.497 9.094 ( 0.919 1.048 4.779) 4.978 9.173 ( 5.866 6.681 -3.002) 9.384 9.312 ( -0.245 2.977 3.999) 4.991 9.389 ( 8.375 -0.282 5.578) 10.066 9.784 ( -8.282 -5.443 1.370) 10.005 9.932 ( -3.310 -2.435 -4.123) 5.821 10.130 ( -1.016 -9.473 -2.703) 9.904 10.238 ( -3.458 3.111 -2.147) 5.123 10.552 ( -0.245 3.041 0.717) 3.134 11.045 ( -2.502 -2.886 -3.912) 5.467 11.280 ( -0.102 1.814 2.559) 3.138 11.538 ( 6.090 -0.488 -1.604) 6.317 11.956 ( -1.976 0.632 4.968) 5.383 12.119 ( -3.460 -3.708 -3.817) 6.347 12.592 ( 5.257 -5.091 -1.813) 7.539 12.724 ( -7.474 3.677 -0.898) 8.378 12.839 ( 10.536 -2.807 2.244) 11.132 13.096 ( -1.621 11.064 2.986) 11.574 13.643 ( 1.069 2.775 2.436) 3.844 13.988 ( 1.067 3.046 -3.433) 4.712 14.049 ( -0.485 1.766 4.260) 4.637 14.211 ( 2.728 -1.563 -3.582) 4.766 14.386 ( -1.155 3.252 1.451) 3.743 15.462 ( 9.183 -2.973 15.658) 18.394 15.936 ( -6.408 2.867 -5.557) 8.954 16.203 ( -3.621 -10.828 -15.989) 19.647 16.461 ( 0.736 2.218 -6.485) 6.893 17.337 ( -2.109 12.241 14.302) 18.943 17.850 ( 1.972 -14.957 3.225) 15.427 18.279 ( -1.463 6.811 -13.289) 15.004 18.576 ( -9.416 -12.886 6.164) 17.108 19.682 ( -8.032 -2.051 1.530) 8.429 19.782 ( 11.621 5.599 -1.516) 12.988 20.067 ( 4.297 -0.460 -1.232) 4.494 20.526 ( 2.796 3.171 2.454) 4.888 21.036 ( -11.075 2.450 4.305) 12.132 21.224 ( -2.365 -6.282 -8.266) 10.648 21.427 ( 4.487 0.469 -4.298) 6.231 21.887 ( -3.056 -1.464 4.399) 5.553 22.663 ( 2.884 4.865 1.797) 5.934 22.899 ( 3.651 1.931 -0.170) 4.134 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 0.000 33.709) 33.709 0.433 ( -0.000 0.000 33.709) 33.709 0.760 ( 0.000 0.000 59.288) 59.288 2.793 ( 0.000 -0.000 -12.926) 12.926 2.793 ( 0.000 -0.000 -12.926) 12.926 3.063 ( 0.000 0.000 7.805) 7.805 3.063 ( 0.000 0.000 7.805) 7.805 3.441 ( -0.000 -0.000 -1.416) 1.416 3.568 ( 0.000 0.000 0.246) 0.246 3.568 ( -0.000 -0.000 0.246) 0.246 3.868 ( 0.000 -0.000 -3.617) 3.617 3.868 ( 0.000 -0.000 -3.617) 3.617 3.923 ( -0.000 -0.000 -5.436) 5.436 4.521 ( 0.000 0.000 2.801) 2.801 4.777 ( -0.000 -0.000 -5.986) 5.986 4.944 ( 0.000 0.000 5.579) 5.579 4.944 ( -0.000 0.000 5.579) 5.579 5.160 ( -0.000 -0.000 -5.908) 5.908 5.331 ( 0.000 0.000 1.110) 1.110 5.331 ( 0.000 0.000 1.110) 1.110 5.800 ( 0.000 -0.000 -2.473) 2.473 5.800 ( 0.000 -0.000 -2.473) 2.473 5.872 ( -0.000 -0.000 -1.329) 1.329 5.946 ( 0.000 0.000 0.808) 0.808 6.021 ( -0.000 -0.000 -1.318) 1.318 6.021 ( 0.000 -0.000 -1.318) 1.318 6.766 ( -0.000 -0.000 -1.769) 1.769 7.275 ( 0.000 0.000 4.190) 4.190 7.518 ( 0.000 0.000 4.703) 4.703 7.797 ( 0.000 -0.000 -8.128) 8.128 7.797 ( 0.000 -0.000 -8.128) 8.128 8.205 ( -0.000 -0.000 -4.184) 4.184 8.615 ( 0.000 0.000 1.351) 1.351 8.615 ( 0.000 -0.000 1.351) 1.351 8.893 ( 0.000 0.000 0.764) 0.764 8.893 ( 0.000 0.000 0.764) 0.764 9.006 ( -0.000 0.000 9.620) 9.620 9.006 ( 0.000 0.000 9.620) 9.620 9.453 ( 0.000 0.000 0.247) 0.247 9.917 ( 0.000 0.000 1.248) 1.248 9.917 ( 0.000 0.000 1.248) 1.248 11.059 ( -0.000 -0.000 -14.631) 14.631 11.432 ( 0.000 -0.000 -2.005) 2.005 11.432 ( 0.000 -0.000 -2.005) 2.005 11.500 ( 0.000 -0.000 -5.891) 5.891 11.500 ( 0.000 -0.000 -5.891) 5.891 11.677 ( 0.000 0.000 10.926) 10.926 11.921 ( 0.000 0.000 2.458) 2.458 11.921 ( 0.000 0.000 2.458) 2.458 12.251 ( 0.000 0.000 7.044) 7.044 13.337 ( 0.000 0.000 2.378) 2.378 13.727 ( 0.000 0.000 1.170) 1.170 13.727 ( 0.000 0.000 1.170) 1.170 13.899 ( -0.000 -0.000 -6.992) 6.992 14.132 ( 0.000 0.000 2.421) 2.421 14.715 ( -0.000 -0.000 -2.307) 2.307 14.972 ( -0.000 0.000 1.051) 1.051 14.972 ( -0.000 0.000 1.051) 1.051 15.880 ( -0.000 -0.000 -0.356) 0.356 17.321 ( 0.000 0.000 0.832) 0.832 17.628 ( -0.000 0.000 0.664) 0.664 17.628 ( -0.000 -0.000 0.664) 0.664 17.835 ( 0.000 0.000 0.075) 0.075 17.962 ( 0.000 -0.000 -2.907) 2.907 17.962 ( 0.000 -0.000 -2.907) 2.907 18.640 ( -0.000 -0.000 -1.507) 1.507 18.640 ( 0.000 -0.000 -1.507) 1.507 18.827 ( -0.000 0.000 2.376) 2.376 18.827 ( 0.000 0.000 2.376) 2.376 21.989 ( -0.000 0.000 0.414) 0.414 21.989 ( -0.000 0.000 0.414) 0.414 22.273 ( -0.000 -0.000 -0.556) 0.556 22.321 ( -0.000 0.000 -0.341) 0.341 22.321 ( 0.000 -0.000 -0.341) 0.341 23.933 ( 0.000 0.000 0.597) 0.597 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 18.123 -2.411 18.355) 25.907 0.902 ( 17.457 18.606 21.268) 33.215 1.515 ( 31.417 19.771 38.310) 53.344 2.641 ( -4.132 -5.339 -13.550) 15.138 2.813 ( 3.810 -0.050 -11.952) 12.545 3.055 ( -4.218 3.594 4.601) 7.203 3.152 ( 2.782 2.219 7.213) 8.044 3.330 ( -6.757 -8.114 -1.086) 10.615 3.409 ( -3.838 2.060 1.320) 4.551 3.626 ( 0.850 -3.793 6.000) 7.149 3.889 ( 3.069 3.598 -7.104) 8.534 3.953 ( 2.490 8.313 -5.603) 10.329 4.007 ( 9.874 -1.934 -3.985) 10.822 4.612 ( 5.722 3.647 2.203) 7.134 4.748 ( 0.748 0.147 -7.714) 7.752 4.875 ( -3.944 -3.074 3.181) 5.926 5.108 ( 3.887 0.563 -0.432) 3.951 5.128 ( 1.214 3.577 -0.520) 3.813 5.298 ( -2.486 -2.108 1.596) 3.629 5.360 ( 2.454 1.413 1.647) 3.276 5.709 ( -4.967 -1.490 -3.202) 6.094 5.790 ( -0.756 -2.135 1.331) 2.627 5.868 ( 2.122 0.931 -0.095) 2.320 5.992 ( 2.884 1.680 -0.452) 3.368 6.035 ( 0.045 3.280 -1.294) 3.526 6.060 ( 2.618 -0.541 -5.734) 6.326 6.754 ( -0.661 -0.318 -2.656) 2.756 6.906 ( -16.026 -8.298 15.969) 24.098 7.363 ( -11.220 -5.061 8.474) 14.944 7.659 ( -1.026 -7.597 -9.975) 12.580 7.877 ( -9.613 -9.188 -5.061) 14.228 8.052 ( -2.714 12.742 -8.279) 15.436 8.573 ( 5.046 -6.259 -5.191) 9.569 8.794 ( -1.718 14.308 3.554) 14.843 8.969 ( -0.676 4.520 5.768) 7.359 9.017 ( 4.812 6.359 -6.858) 10.518 9.131 ( 2.710 -3.078 4.895) 6.386 9.299 ( 16.825 6.568 0.327) 18.065 9.630 ( 9.408 4.685 -2.374) 10.775 9.842 ( -3.403 -5.335 -1.540) 6.513 9.990 ( 2.564 1.764 -1.589) 3.495 10.719 ( -10.225 -13.641 -10.387) 19.963 11.335 ( -4.398 -2.609 -1.556) 5.345 11.401 ( -6.543 2.326 -2.795) 7.486 11.454 ( -5.793 1.476 -0.200) 5.981 11.580 ( 1.030 -0.220 -1.003) 1.455 11.606 ( -0.246 -7.206 3.974) 8.233 11.894 ( -1.088 -1.385 0.709) 1.899 12.082 ( 4.979 6.302 -0.621) 8.056 12.384 ( 5.885 8.871 9.699) 14.402 13.270 ( 0.681 -3.698 7.743) 8.608 13.591 ( 1.607 0.908 -1.454) 2.350 13.702 ( -2.250 -1.347 1.845) 3.206 14.035 ( -1.144 -1.055 -4.702) 4.952 14.224 ( -0.724 -4.785 1.439) 5.049 14.667 ( -4.483 -2.400 -2.789) 5.799 14.853 ( -9.002 -4.342 2.511) 10.305 14.911 ( -2.154 13.487 -10.633) 17.308 16.012 ( 6.062 6.037 0.840) 8.596 16.789 ( -1.270 -22.656 22.403) 31.887 17.229 ( -25.594 -7.829 3.121) 26.946 17.411 ( -19.738 -8.563 -0.992) 21.538 17.916 ( 5.860 1.003 -6.718) 8.971 18.064 ( 4.804 -2.632 -0.648) 5.516 18.273 ( 19.480 3.797 -4.306) 20.308 18.654 ( -6.071 7.255 0.696) 9.485 18.897 ( 11.503 20.135 -2.778) 23.355 18.982 ( 17.893 1.002 0.629) 17.932 19.406 ( 25.453 20.537 -11.617) 34.707 21.484 ( -21.120 -23.364 36.850) 48.475 21.890 ( -7.238 -2.356 -2.184) 7.919 22.138 ( 1.791 -8.505 -0.231) 8.695 22.233 ( -4.825 -2.874 -3.787) 6.774 22.393 ( -2.305 8.480 1.484) 8.912 23.821 ( -7.989 -4.551 -1.584) 9.330 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 19.966 3.835 4.002) 20.721 1.496 ( 20.337 15.688 11.405) 28.103 2.232 ( 7.142 7.461 -1.054) 10.382 2.608 ( 15.010 5.652 15.607) 22.379 2.824 ( 5.335 -4.752 -11.400) 13.454 2.948 ( -7.960 1.508 3.972) 9.023 3.228 ( -4.729 2.944 4.133) 6.937 3.287 ( 2.989 4.642 3.065) 6.315 3.386 ( 1.046 -0.097 2.758) 2.951 3.683 ( 5.048 0.528 5.036) 7.150 3.909 ( 1.389 -1.415 -4.053) 4.512 4.055 ( 3.842 6.740 -4.996) 9.227 4.164 ( 9.852 -0.540 -2.434) 10.163 4.641 ( -5.606 -3.559 -4.253) 7.886 4.753 ( 4.820 -0.969 -0.413) 4.934 4.877 ( -0.288 2.805 1.797) 3.344 5.054 ( 2.363 -0.302 -8.412) 8.743 5.216 ( -2.607 -0.694 -0.443) 2.734 5.313 ( 4.489 3.555 4.847) 7.502 5.449 ( 3.318 3.233 0.094) 4.634 5.589 ( -4.354 -2.121 -3.144) 5.774 5.766 ( -0.362 -2.303 1.150) 2.600 5.876 ( -3.322 -1.732 -1.825) 4.167 5.992 ( 2.996 -1.497 -1.672) 3.743 6.049 ( -1.083 3.176 -1.147) 3.546 6.199 ( 8.421 4.203 0.062) 9.412 6.532 ( -19.329 -10.701 3.231) 22.329 6.723 ( -3.638 -0.825 -0.296) 3.742 7.084 ( -12.945 -4.992 6.268) 15.224 7.550 ( 1.077 -7.083 -6.193) 9.470 7.734 ( -3.093 0.872 2.712) 4.205 8.106 ( -0.945 11.238 -6.219) 12.879 8.563 ( 1.353 -4.111 -10.316) 11.186 8.896 ( -0.445 6.992 2.904) 7.584 8.955 ( -0.740 0.401 -5.555) 5.618 9.078 ( 0.235 9.032 7.038) 11.453 9.305 ( 8.552 -0.680 2.110) 8.835 9.612 ( 7.105 9.843 1.380) 12.218 9.662 ( -5.169 -6.644 2.060) 8.666 9.766 ( 3.010 -0.166 -2.803) 4.117 10.016 ( 1.679 -3.147 2.030) 4.104 10.381 ( -5.916 -14.195 -12.818) 20.020 11.168 ( -10.037 -6.078 -1.256) 11.801 11.269 ( -6.488 -0.605 -2.988) 7.169 11.382 ( -8.439 2.781 13.244) 15.948 11.513 ( 0.582 -1.820 3.069) 3.615 11.670 ( 2.703 4.413 -2.431) 5.718 11.919 ( 8.164 -2.087 -5.435) 10.027 12.144 ( -0.837 1.349 1.530) 2.205 12.647 ( 4.776 13.287 5.203) 15.047 13.259 ( -2.413 -6.372 2.631) 7.304 13.670 ( 4.479 2.580 -2.058) 5.563 13.679 ( 0.878 -0.310 -1.952) 2.163 13.916 ( -6.169 -6.111 0.696) 8.711 14.071 ( -5.899 -6.667 6.022) 10.748 14.471 ( -10.067 -3.779 -4.038) 11.486 14.676 ( -6.823 -4.729 6.037) 10.264 15.077 ( 5.099 18.987 -19.096) 27.407 16.082 ( -3.104 -0.529 6.128) 6.890 16.732 ( -20.747 -11.250 6.828) 24.569 16.858 ( 16.298 -18.887 5.118) 25.467 17.031 ( -12.712 1.125 1.061) 12.806 17.911 ( -8.180 9.951 -14.213) 19.182 18.119 ( 12.985 -12.541 -0.953) 18.077 18.538 ( 6.832 -6.624 10.216) 13.961 18.757 ( 4.279 21.518 3.773) 22.262 19.272 ( 13.890 14.484 -3.700) 20.406 19.447 ( 23.032 9.702 -3.852) 25.287 19.928 ( 15.546 19.733 -4.180) 25.467 21.182 ( -5.205 -20.818 27.588) 34.951 21.675 ( -10.735 -6.236 -2.798) 12.726 21.984 ( -10.636 -5.942 0.970) 12.222 22.135 ( -0.567 -4.937 -4.354) 6.607 22.444 ( -0.528 6.745 0.076) 6.766 23.564 ( -12.337 -6.992 -4.246) 14.803 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 12.023 5.617 -5.601) 14.404 1.966 ( 14.774 5.530 3.275) 16.111 2.278 ( 7.160 2.139 -0.944) 7.532 2.722 ( -5.748 -3.127 -0.944) 6.611 2.798 ( -1.303 0.235 -2.177) 2.548 3.088 ( -5.072 -0.509 2.187) 5.546 3.268 ( 8.023 9.981 14.164) 19.095 3.441 ( 2.810 -0.436 -4.331) 5.181 3.477 ( 9.488 9.472 8.253) 15.743 3.755 ( -1.760 2.977 -1.032) 3.609 3.973 ( 8.920 -1.263 1.392) 9.115 4.231 ( 11.261 3.663 4.118) 12.538 4.295 ( 5.470 0.952 -2.186) 5.967 4.495 ( -3.360 -0.720 -2.433) 4.210 4.782 ( -7.665 -0.475 -3.008) 8.248 4.839 ( 6.631 -4.700 3.948) 9.036 5.101 ( -0.703 -0.355 3.173) 3.269 5.214 ( 4.971 2.993 -12.166) 13.478 5.345 ( -5.216 -1.628 -0.069) 5.465 5.508 ( 0.193 2.952 -0.478) 2.997 5.538 ( 0.869 -0.987 -3.305) 3.556 5.693 ( -5.482 -4.255 -3.209) 7.646 5.759 ( -3.323 -3.458 2.258) 5.301 5.961 ( -9.315 -5.535 -1.330) 10.917 6.067 ( -0.416 3.285 0.928) 3.439 6.197 ( -0.859 -2.482 8.071) 8.487 6.386 ( 6.202 3.504 -5.254) 8.851 6.628 ( -6.125 -0.611 0.732) 6.199 6.917 ( -4.234 -1.225 2.566) 5.100 7.492 ( 1.418 -5.538 -2.220) 6.133 7.745 ( -1.667 5.313 5.181) 7.606 8.167 ( -1.412 7.139 -11.080) 13.256 8.494 ( 0.543 -1.030 0.710) 1.364 8.915 ( 2.800 -9.212 -0.272) 9.632 9.013 ( 0.224 11.074 -3.128) 11.509 9.218 ( 1.945 7.832 5.220) 9.612 9.305 ( -1.980 -4.964 -7.844) 9.492 9.538 ( -5.813 2.526 -1.661) 6.552 9.769 ( 0.567 6.052 1.029) 6.165 9.804 ( 4.564 -5.113 2.156) 7.184 10.007 ( -0.912 -5.221 4.124) 6.716 10.180 ( 4.203 -8.271 -8.432) 12.537 10.885 ( -12.019 -7.770 -1.151) 14.359 11.132 ( -5.392 -3.714 0.343) 6.556 11.350 ( -4.386 2.928 12.938) 13.972 11.561 ( -1.208 5.720 1.800) 6.117 11.773 ( 5.481 4.464 -1.313) 7.190 12.060 ( 8.807 -5.731 -5.946) 12.073 12.178 ( 4.538 8.646 1.916) 9.951 12.814 ( -1.259 8.146 -0.279) 8.247 13.074 ( -8.907 -7.241 2.395) 11.726 13.535 ( -9.586 -9.627 -2.524) 13.818 13.735 ( -1.468 -2.069 -1.856) 3.143 13.855 ( 4.362 1.973 -1.332) 4.969 14.016 ( 2.732 -2.467 5.474) 6.596 14.284 ( -6.304 -0.183 -3.301) 7.118 14.552 ( -5.292 -3.926 5.536) 8.606 15.261 ( 4.507 16.103 -19.839) 25.946 16.014 ( -2.451 -5.717 8.037) 10.163 16.340 ( -14.545 -11.410 10.373) 21.197 16.690 ( -8.439 -5.604 1.136) 10.193 17.213 ( 17.260 -2.301 0.846) 17.433 17.784 ( -10.372 10.790 -12.991) 19.818 18.209 ( 12.189 -12.784 -4.192) 18.154 18.565 ( -6.226 3.462 15.606) 17.155 19.171 ( 17.916 12.118 5.187) 22.242 19.627 ( 12.279 10.796 -4.059) 16.847 19.851 ( 12.744 8.793 -7.592) 17.244 20.330 ( 10.656 14.817 -0.985) 18.278 21.089 ( 3.112 -14.458 21.247) 25.888 21.375 ( -12.813 -7.989 -1.475) 15.171 21.706 ( -12.459 -5.868 -2.427) 13.984 22.031 ( -4.922 -3.931 -0.455) 6.315 22.530 ( 3.865 5.243 -1.247) 6.632 23.238 ( -12.857 -7.422 -5.520) 15.838 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 5.328 7.001 -5.108) 10.173 2.208 ( 13.589 -5.434 0.599) 14.647 2.420 ( -8.502 4.737 4.653) 10.788 2.613 ( 4.179 -2.337 -1.754) 5.099 2.780 ( 3.302 -1.471 -1.947) 4.106 3.007 ( -8.419 3.403 6.288) 11.045 3.348 ( -0.793 -7.651 -6.440) 10.032 3.474 ( -0.701 10.815 1.358) 10.922 3.727 ( 6.916 -6.380 2.460) 9.726 3.759 ( -2.498 8.710 3.110) 9.580 4.096 ( 3.798 1.158 0.192) 3.975 4.318 ( 4.252 -6.120 -0.329) 7.459 4.466 ( -0.677 7.084 4.726) 8.542 4.590 ( 1.058 4.024 -6.033) 7.328 4.682 ( 6.262 1.423 6.303) 8.998 4.914 ( 4.620 -5.086 5.404) 8.741 5.082 ( -5.849 -5.454 2.091) 8.266 5.150 ( -5.677 0.403 -1.366) 5.853 5.220 ( -1.110 -1.536 -4.519) 4.901 5.479 ( 0.996 -2.827 -3.672) 4.740 5.512 ( -0.004 3.025 -5.752) 6.499 5.604 ( -2.267 0.860 0.426) 2.462 5.689 ( -0.555 -2.626 2.610) 3.744 5.824 ( -1.349 0.228 -1.471) 2.009 6.080 ( -2.285 1.988 -1.359) 3.320 6.316 ( 7.279 0.550 7.310) 10.331 6.387 ( -5.768 -1.342 -1.950) 6.234 6.558 ( -1.143 1.532 0.184) 1.920 6.914 ( 1.349 0.246 0.381) 1.423 7.467 ( 0.352 -1.030 0.347) 1.142 7.793 ( -2.420 4.430 0.901) 5.128 8.113 ( 0.281 -1.377 -3.994) 4.234 8.592 ( 3.396 4.671 2.446) 6.272 8.805 ( -2.251 -9.490 -0.836) 9.790 9.083 ( -0.411 1.887 -4.410) 4.814 9.202 ( 1.910 -2.840 -6.314) 7.182 9.331 ( 1.618 6.738 -2.105) 7.242 9.501 ( -4.086 8.881 -1.846) 9.948 9.731 ( -4.609 -4.299 -1.535) 6.487 9.853 ( 4.255 -4.251 8.307) 10.256 10.006 ( 3.190 2.743 -2.622) 4.957 10.213 ( 5.008 -3.669 0.048) 6.208 10.624 ( -7.534 -5.080 -0.899) 9.131 11.016 ( -3.204 -4.082 -1.430) 5.382 11.379 ( -2.919 3.158 12.498) 13.217 11.567 ( -2.187 1.528 -1.451) 3.037 11.929 ( 4.808 5.517 0.132) 7.319 12.064 ( 1.571 -3.559 0.612) 3.938 12.478 ( 13.186 9.393 -1.063) 16.224 12.700 ( -5.967 -5.405 -3.678) 8.851 12.954 ( -6.223 1.493 2.886) 7.020 13.243 ( -8.048 -7.189 -1.943) 10.965 13.669 ( -1.656 -0.798 -0.737) 1.981 13.956 ( 4.018 0.896 -4.259) 5.923 14.079 ( 2.164 -0.459 -0.198) 2.221 14.208 ( -1.306 0.305 0.322) 1.379 14.456 ( -4.358 -1.925 3.945) 6.185 15.400 ( 3.884 13.328 -19.242) 23.727 15.985 ( -0.367 -1.322 1.317) 1.902 16.081 ( -4.621 -15.805 20.969) 26.662 16.559 ( -3.494 -0.968 3.078) 4.755 17.428 ( 5.874 0.610 -6.183) 8.550 17.706 ( -3.580 9.679 -2.104) 10.533 18.249 ( 8.144 -10.525 -4.913) 14.186 18.531 ( -8.399 4.207 10.787) 14.303 19.567 ( 10.761 2.015 1.696) 11.079 19.856 ( 5.248 4.962 -3.091) 7.856 20.006 ( 3.882 4.288 -4.247) 7.176 20.558 ( 2.619 5.312 -1.547) 6.122 21.111 ( -3.552 -7.228 8.953) 12.043 21.129 ( -1.584 -4.139 0.923) 4.527 21.478 ( -4.565 -1.917 1.985) 5.334 21.909 ( -4.929 -0.280 1.195) 5.080 22.664 ( 5.414 2.934 -3.821) 7.247 22.959 ( -7.035 -4.144 -3.147) 8.750 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.719 3.074 5.127) 6.568 2.147 ( -13.255 -1.133 -7.382) 15.215 2.348 ( 1.542 -4.552 3.552) 5.976 2.731 ( 5.047 -2.900 5.619) 8.091 2.844 ( 5.487 -0.877 -4.974) 7.458 2.882 ( -6.621 1.166 5.030) 8.397 3.213 ( -2.339 -6.039 -8.569) 10.741 3.544 ( -5.921 11.002 -1.006) 12.535 3.679 ( -9.303 -4.154 2.655) 10.528 3.789 ( 6.294 -6.258 2.542) 9.232 4.106 ( -5.456 -0.987 2.188) 5.961 4.325 ( -4.803 -6.100 -4.891) 9.176 4.374 ( -3.095 -6.122 -0.798) 6.906 4.544 ( -2.278 9.107 0.886) 9.430 4.822 ( -8.517 -0.913 -0.361) 8.573 4.850 ( 2.573 -4.607 10.013) 11.318 4.977 ( 5.482 3.583 -5.732) 8.703 5.189 ( 3.349 0.115 -0.090) 3.352 5.339 ( 8.298 3.878 4.331) 10.132 5.529 ( 0.205 0.326 -3.165) 3.188 5.563 ( 5.801 1.900 1.456) 6.276 5.615 ( 5.638 1.332 1.248) 5.926 5.688 ( 0.632 0.114 2.951) 3.020 5.824 ( -0.161 2.449 -1.428) 2.840 6.015 ( -2.980 0.396 -5.582) 6.340 6.235 ( -7.742 -1.767 0.973) 8.000 6.487 ( 7.848 1.273 4.242) 9.011 6.577 ( -0.659 1.164 2.379) 2.730 6.882 ( -3.155 -3.628 -1.728) 5.108 7.497 ( -0.851 6.261 1.779) 6.564 7.716 ( -2.606 -4.466 -3.079) 6.018 8.217 ( 9.235 1.726 2.329) 9.679 8.534 ( -5.117 -7.580 -1.262) 9.232 8.792 ( 1.114 5.096 -1.379) 5.396 9.031 ( -0.209 -0.750 -7.270) 7.312 9.281 ( 6.156 -1.519 -3.760) 7.372 9.362 ( -2.405 2.909 -0.069) 3.775 9.538 ( -0.991 9.478 -0.895) 9.572 9.591 ( -3.251 -3.846 -3.381) 6.065 9.910 ( -0.590 -3.860 6.558) 7.633 10.048 ( 0.184 -2.573 3.105) 4.037 10.279 ( 5.655 3.256 0.788) 6.573 10.608 ( 7.315 4.904 -2.146) 9.064 10.915 ( -2.113 -4.394 -3.223) 5.844 11.378 ( -5.593 1.291 9.269) 10.902 11.526 ( 0.931 -3.453 -3.914) 5.302 11.978 ( -8.122 1.414 2.201) 8.533 12.044 ( 3.018 -1.839 0.441) 3.561 12.513 ( -7.257 -5.454 1.343) 9.177 12.806 ( 6.545 7.239 3.683) 10.431 12.857 ( 3.406 -4.942 -3.772) 7.089 13.239 ( 7.284 9.570 -2.201) 12.226 13.666 ( 0.433 3.190 -0.880) 3.338 13.936 ( -1.300 -4.652 -5.743) 7.504 14.025 ( -5.012 -1.753 -3.263) 6.232 14.274 ( 4.930 1.485 4.368) 6.752 14.401 ( -1.912 1.018 0.097) 2.168 15.508 ( 1.403 11.625 -17.044) 20.679 15.891 ( -1.317 -6.365 6.877) 9.462 16.135 ( 10.707 -9.734 17.927) 23.038 16.570 ( 2.211 2.484 3.563) 4.873 17.352 ( -11.454 5.785 -9.534) 15.987 17.854 ( 7.132 4.846 6.572) 10.842 18.249 ( 4.688 -6.628 -5.819) 9.988 18.446 ( -8.951 2.502 5.218) 10.659 19.451 ( -12.100 -11.363 -5.008) 17.338 19.866 ( -4.621 -1.441 -2.113) 5.282 20.155 ( 4.822 -1.034 5.687) 7.527 20.528 ( -3.653 -1.011 -7.310) 8.234 20.862 ( -15.520 -5.695 -1.718) 16.621 21.220 ( 10.510 1.206 5.893) 12.110 21.559 ( 6.191 4.515 5.528) 9.449 21.914 ( 1.647 6.091 1.366) 6.456 22.607 ( -4.329 -4.750 -6.662) 9.257 23.029 ( 10.434 5.981 0.743) 12.050 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -16.173 -12.804 4.090) 21.029 1.915 ( -18.046 -3.825 -0.738) 18.461 2.297 ( 1.880 5.112 0.766) 5.501 2.747 ( -0.514 -7.734 -1.327) 7.863 2.832 ( -4.052 -8.678 -3.298) 10.129 2.960 ( 8.442 -0.551 -1.332) 8.564 3.045 ( -7.658 5.356 4.060) 10.189 3.415 ( -7.192 -10.216 2.106) 12.670 3.487 ( -9.858 3.448 -1.164) 10.508 3.796 ( -6.278 -6.987 1.784) 9.561 3.893 ( -4.761 1.480 -4.803) 6.923 4.173 ( -1.566 -2.342 -2.105) 3.517 4.320 ( -2.788 -4.418 1.140) 5.347 4.644 ( 1.250 7.763 2.858) 8.367 4.770 ( 1.450 -0.287 2.228) 2.674 4.907 ( 3.547 0.277 6.397) 7.319 5.041 ( 1.179 -0.955 -2.524) 2.945 5.214 ( -1.139 0.041 -7.444) 7.531 5.426 ( -2.746 -0.663 4.183) 5.047 5.543 ( -3.777 -0.154 -3.364) 5.060 5.564 ( 4.221 -2.296 3.524) 5.959 5.727 ( 0.788 -0.106 -1.002) 1.280 5.813 ( 7.578 1.867 5.570) 9.588 5.941 ( 8.269 4.174 -8.118) 12.317 6.044 ( 7.302 7.655 5.108) 11.748 6.114 ( -4.638 0.050 1.055) 4.757 6.466 ( -9.947 -5.251 0.246) 11.250 6.664 ( 7.034 2.195 4.163) 8.463 6.820 ( 2.132 1.152 -4.315) 4.949 7.557 ( -0.331 7.077 -0.224) 7.088 7.678 ( 3.226 -3.107 2.034) 4.919 8.249 ( -4.039 -7.575 0.142) 8.586 8.572 ( 12.368 5.592 0.615) 13.587 8.813 ( -0.025 -0.409 -6.545) 6.558 8.991 ( -4.750 4.653 -3.892) 7.704 9.197 ( -7.290 -1.802 -5.428) 9.265 9.309 ( -6.917 -2.990 0.232) 7.539 9.582 ( 4.704 -2.086 -0.124) 5.147 9.703 ( 8.176 6.035 2.050) 10.367 9.822 ( -2.301 -4.916 1.709) 5.690 9.977 ( -4.786 -1.584 2.317) 5.548 10.545 ( 12.775 8.877 6.497) 16.859 10.820 ( 2.420 0.328 -5.244) 5.785 10.888 ( 10.884 5.063 -1.736) 12.129 11.305 ( -3.397 -2.300 1.850) 4.500 11.505 ( -0.437 0.076 -1.343) 1.415 11.813 ( -8.097 -2.189 1.386) 8.502 12.073 ( 1.849 -5.274 -1.777) 5.865 12.311 ( -11.177 1.505 8.295) 14.000 12.772 ( -1.955 -9.178 -3.326) 9.956 13.076 ( 9.803 6.973 2.229) 12.235 13.546 ( 11.071 9.708 -1.500) 14.801 13.755 ( 4.930 6.666 -1.025) 8.354 13.809 ( -2.447 -4.162 -5.559) 7.363 13.883 ( -6.245 -2.661 -2.447) 7.215 14.373 ( 2.270 2.576 1.141) 3.619 14.450 ( 5.364 2.970 0.442) 6.147 15.472 ( -8.081 5.376 -11.199) 14.819 15.973 ( 12.890 -7.611 10.050) 18.030 16.351 ( 14.235 -3.165 11.778) 18.745 16.718 ( 7.728 6.513 2.797) 10.486 17.099 ( -18.403 3.887 -7.851) 20.382 18.024 ( 4.429 0.809 4.173) 6.139 18.226 ( -2.483 -1.660 -7.957) 8.499 18.351 ( -2.200 3.068 5.211) 6.435 19.061 ( -13.553 -13.692 -0.942) 19.288 19.657 ( -13.422 -5.349 -1.971) 14.582 19.993 ( -15.583 -13.339 2.321) 20.643 20.476 ( -17.501 -9.997 3.910) 20.531 20.529 ( 5.281 5.199 -10.306) 12.694 21.524 ( 14.732 4.201 7.816) 17.198 21.746 ( 6.507 5.993 0.874) 8.889 22.059 ( 4.438 8.337 0.276) 9.449 22.479 ( -1.843 -4.286 -3.929) 6.099 23.319 ( 13.172 7.479 -0.366) 15.151 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -19.814 -16.432 0.188) 25.742 1.392 ( -28.693 -11.680 4.340) 31.282 2.048 ( -34.714 -19.857 2.971) 40.102 2.632 ( 8.042 11.212 4.994) 14.674 2.812 ( 5.517 -6.449 -6.988) 10.993 3.036 ( 2.040 -4.449 -4.933) 6.949 3.119 ( -2.677 7.689 7.340) 10.962 3.292 ( 4.112 -7.985 0.888) 9.025 3.355 ( -4.655 3.353 3.956) 6.969 3.591 ( -8.634 1.003 -2.074) 8.936 3.900 ( 1.991 -0.309 -5.444) 5.805 4.107 ( -1.942 -4.953 -2.761) 5.994 4.208 ( -6.374 -1.067 2.361) 6.881 4.719 ( 1.317 -0.914 -1.436) 2.152 4.840 ( 1.570 0.656 0.948) 1.947 4.910 ( -6.278 -0.198 10.790) 12.486 5.026 ( -0.059 -2.629 -6.293) 6.820 5.170 ( 2.831 0.974 -1.152) 3.208 5.358 ( -3.453 -1.992 3.633) 5.393 5.388 ( -7.078 -1.644 -6.750) 9.917 5.682 ( 5.718 -1.320 4.928) 7.663 5.733 ( 0.482 2.413 -1.756) 3.023 5.907 ( -1.033 -0.720 1.715) 2.128 6.008 ( 2.806 1.483 -3.904) 5.031 6.093 ( 0.572 0.258 0.992) 1.174 6.167 ( -8.366 -3.743 -1.512) 9.289 6.459 ( 13.565 8.558 2.808) 16.283 6.768 ( 1.616 0.719 -0.057) 1.769 6.985 ( 12.084 8.088 1.369) 14.606 7.654 ( 5.109 5.282 -0.728) 7.385 7.748 ( 5.356 -1.455 2.083) 5.928 8.121 ( -4.421 -0.900 1.165) 4.660 8.726 ( 0.222 -6.726 -9.073) 11.296 8.885 ( 10.571 5.250 -5.021) 12.826 8.925 ( -10.409 12.635 -2.029) 16.496 9.021 ( -4.643 -1.700 -2.457) 5.521 9.123 ( -7.040 -7.890 4.440) 11.468 9.573 ( -4.663 -10.925 -1.423) 11.963 9.676 ( -2.914 0.250 4.012) 4.964 9.887 ( -0.282 1.309 6.045) 6.191 10.022 ( 7.475 4.028 -3.480) 9.177 10.801 ( 13.075 -4.763 -23.612) 27.407 10.926 ( 4.460 10.950 23.793) 26.569 11.154 ( 9.622 5.867 -2.697) 11.588 11.302 ( 4.540 4.030 -0.354) 6.081 11.502 ( -0.753 2.610 1.158) 2.953 11.687 ( -3.949 -2.684 -0.201) 4.779 11.977 ( -3.763 -4.189 -0.994) 5.718 12.254 ( -3.246 1.533 5.928) 6.931 12.561 ( -10.513 -8.620 -0.084) 13.596 13.234 ( 1.420 -0.590 0.322) 1.571 13.613 ( 0.866 -1.092 -3.522) 3.788 13.720 ( -6.046 -3.097 -0.658) 6.825 13.926 ( 8.922 6.491 -2.819) 11.388 13.969 ( 9.294 6.990 2.839) 11.971 14.496 ( 7.336 7.746 -4.720) 11.666 14.594 ( 6.233 2.754 3.381) 7.607 15.289 ( -11.400 2.146 -9.310) 14.874 16.159 ( 12.100 -14.288 15.180) 24.104 16.652 ( -0.779 2.900 -2.531) 3.927 16.768 ( -0.784 5.447 3.092) 6.313 17.012 ( 14.165 8.895 -0.268) 16.728 18.034 ( -5.525 0.813 -6.461) 8.540 18.094 ( -0.254 -4.351 0.102) 4.360 18.489 ( 8.439 0.302 1.897) 8.655 18.710 ( -16.132 -4.054 4.433) 17.215 19.305 ( -16.667 -7.548 -1.594) 18.366 19.490 ( -22.292 -16.104 -0.688) 27.509 20.046 ( -21.120 -5.585 -4.400) 22.285 20.714 ( 12.509 -0.430 7.227) 14.453 21.818 ( 8.848 3.691 7.003) 11.872 21.917 ( 7.875 4.293 -3.226) 9.531 22.203 ( 3.498 5.788 -1.963) 7.042 22.416 ( -1.020 -1.967 -0.300) 2.237 23.615 ( 11.757 6.776 -1.430) 13.645 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.178 10.691 21.497) 26.483 1.035 ( 7.789 22.694 23.963) 33.910 1.649 ( 1.596 29.283 39.221) 48.973 2.632 ( -3.224 0.168 -14.230) 14.592 2.742 ( -1.494 2.103 -13.945) 14.182 3.056 ( 5.117 -5.652 8.741) 11.599 3.155 ( 0.585 1.960 4.255) 4.721 3.359 ( -4.111 -4.001 1.389) 5.903 3.489 ( 5.514 1.301 -0.036) 5.666 3.586 ( -3.391 -5.152 5.554) 8.300 3.773 ( -0.972 -0.948 -9.054) 9.155 3.916 ( 1.803 5.807 -4.601) 7.625 4.054 ( -1.831 10.851 -4.106) 11.745 4.618 ( 0.549 6.040 -0.403) 6.079 4.708 ( -0.531 1.469 -8.919) 9.055 5.000 ( -5.622 1.362 4.096) 7.088 5.021 ( 5.098 0.483 1.594) 5.363 5.129 ( 1.488 1.982 -1.484) 2.889 5.291 ( -1.447 -4.232 0.874) 4.557 5.365 ( 0.327 1.407 3.704) 3.976 5.727 ( 1.054 -1.952 -3.999) 4.573 5.799 ( -0.886 -0.221 -1.002) 1.356 5.863 ( -0.707 2.196 0.785) 2.437 5.981 ( 0.306 -1.405 -4.352) 4.583 5.994 ( 0.961 3.372 -0.685) 3.573 6.061 ( -0.262 2.822 -2.530) 3.799 6.746 ( 0.090 -0.444 -2.642) 2.681 6.950 ( 0.769 -19.796 13.804) 24.146 7.412 ( 1.371 -12.286 9.663) 15.691 7.743 ( -12.680 -0.741 -8.639) 15.361 7.809 ( 1.408 -6.624 -9.731) 11.855 7.957 ( 11.759 -1.431 -8.003) 14.296 8.588 ( -2.177 1.183 -4.028) 4.729 8.844 ( 12.805 1.483 3.999) 13.497 8.877 ( 2.495 4.087 4.866) 6.827 8.945 ( 3.911 -1.989 1.026) 4.506 9.163 ( -7.307 4.169 -1.982) 8.643 9.305 ( -2.532 14.671 3.848) 15.377 9.641 ( 0.413 11.583 0.612) 11.607 9.910 ( -6.066 1.686 -3.205) 7.065 9.967 ( 3.343 0.673 2.413) 4.177 10.694 ( -6.235 -14.586 -12.201) 20.012 11.281 ( 0.137 -8.182 -0.393) 8.192 11.329 ( 5.660 -6.704 -2.662) 9.169 11.505 ( 0.968 2.349 -5.037) 5.641 11.562 ( -0.815 1.586 -1.724) 2.480 11.631 ( -3.794 -6.497 4.707) 8.875 11.926 ( 0.489 -1.493 1.574) 2.224 12.090 ( 1.887 10.402 -1.651) 10.700 12.441 ( 4.453 9.313 12.349) 16.095 13.281 ( -3.743 -4.138 7.488) 9.338 13.577 ( -0.234 0.369 -2.782) 2.816 13.686 ( 0.160 -4.184 1.176) 4.349 14.013 ( -0.036 -0.992 -3.818) 3.945 14.241 ( -3.505 0.633 2.040) 4.104 14.665 ( 0.058 -3.555 -2.999) 4.651 14.760 ( 7.823 -14.454 -1.586) 16.512 14.942 ( 4.598 0.958 -3.691) 5.974 16.068 ( 1.363 16.225 -1.616) 16.363 16.872 ( -16.657 -18.601 19.976) 31.976 17.267 ( 7.423 -21.562 3.147) 23.020 17.391 ( 1.409 -21.956 -1.306) 22.040 17.856 ( -7.798 0.862 -5.407) 9.528 18.053 ( 0.963 4.145 -1.954) 4.683 18.238 ( -4.627 18.640 -3.381) 19.501 18.714 ( 11.855 2.617 0.105) 12.141 18.896 ( -3.420 24.099 -4.309) 24.719 18.983 ( 2.416 10.605 1.124) 10.935 19.347 ( 4.017 33.475 -7.357) 34.508 21.574 ( -8.249 -31.437 28.389) 43.154 21.992 ( 5.502 -5.011 1.432) 7.578 22.031 ( -10.789 -3.432 -2.272) 11.547 22.242 ( -0.672 -5.416 -2.231) 5.896 22.410 ( 6.948 1.696 0.014) 7.152 23.815 ( 0.065 -10.043 -1.196) 10.115 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 7.586 12.386 9.465) 17.336 1.494 ( 8.931 21.262 17.806) 29.136 2.244 ( 10.745 15.914 10.635) 21.950 2.472 ( 0.805 -0.551 -7.534) 7.597 2.747 ( 2.263 7.158 1.270) 7.614 3.100 ( -4.446 -3.173 5.349) 7.645 3.245 ( 2.563 -0.919 7.041) 7.549 3.276 ( 5.048 4.668 2.795) 7.422 3.484 ( -7.849 4.906 -0.708) 9.283 3.591 ( 3.795 -2.459 5.752) 7.316 3.805 ( 7.304 -2.218 -11.307) 13.642 4.002 ( 6.042 3.224 -0.663) 6.880 4.110 ( -1.806 9.036 -3.946) 10.024 4.678 ( 2.919 1.327 -9.679) 10.197 4.705 ( -2.502 3.054 -2.233) 4.535 4.912 ( -2.243 2.317 6.276) 7.056 5.055 ( -3.504 0.036 -7.142) 7.956 5.240 ( 3.492 0.748 7.093) 7.942 5.254 ( 3.185 -0.270 -4.009) 5.128 5.411 ( 2.344 1.941 3.634) 4.740 5.655 ( -4.804 -0.911 -3.991) 6.312 5.763 ( -1.742 -2.630 3.060) 4.394 5.896 ( -1.840 -1.082 -4.399) 4.890 5.923 ( 2.461 -0.407 -2.503) 3.533 6.077 ( 0.122 1.864 -0.906) 2.076 6.120 ( 6.011 6.708 -0.727) 9.036 6.678 ( -7.598 -9.748 1.182) 12.416 6.760 ( -4.065 -8.879 3.736) 10.455 7.225 ( -8.347 -13.639 6.627) 17.310 7.526 ( -6.388 -2.376 -3.607) 7.711 7.739 ( 2.163 -0.457 -1.637) 2.750 8.140 ( 8.242 6.207 -16.969) 19.860 8.491 ( -5.642 1.150 2.417) 6.244 8.800 ( -1.809 -9.426 -2.274) 9.864 9.065 ( 10.124 2.331 4.465) 11.308 9.136 ( -0.244 6.550 5.141) 8.330 9.342 ( -6.693 7.604 0.439) 10.140 9.374 ( 22.325 2.963 -2.417) 22.650 9.753 ( -8.029 0.376 2.749) 8.495 9.793 ( 0.456 9.269 -3.579) 9.946 9.985 ( -1.182 -4.770 3.413) 5.983 10.330 ( -9.425 -12.801 -9.156) 18.345 11.176 ( -2.484 -10.247 -0.949) 10.587 11.340 ( -0.889 -5.661 -3.112) 6.521 11.459 ( -0.995 -2.889 3.250) 4.460 11.524 ( -0.382 -0.090 0.161) 0.424 11.641 ( 4.150 6.989 -2.497) 8.503 11.900 ( -4.666 1.350 1.429) 5.063 12.172 ( 0.384 3.991 -0.472) 4.037 12.713 ( 6.218 10.159 9.032) 14.948 13.213 ( -0.936 -5.516 3.550) 6.626 13.614 ( 3.439 4.081 -4.467) 6.960 13.662 ( 1.061 -2.872 -0.040) 3.062 13.941 ( -4.546 -6.014 0.713) 7.573 14.109 ( -6.185 -9.204 5.052) 12.186 14.529 ( -5.021 -9.102 -3.507) 10.971 14.728 ( -1.303 -7.633 2.703) 8.201 15.068 ( 7.345 11.665 -16.885) 21.798 16.299 ( 0.847 18.097 -2.994) 18.363 16.507 ( -6.989 -18.063 18.894) 27.057 16.928 ( -13.836 -18.955 5.306) 24.060 17.191 ( -5.847 -12.672 2.995) 14.273 17.747 ( 3.591 -0.158 -14.613) 15.048 18.198 ( -2.073 2.586 -1.313) 3.565 18.337 ( 6.657 9.183 7.027) 13.343 19.005 ( 3.784 17.180 -0.662) 17.604 19.060 ( 12.868 10.275 -1.285) 16.517 19.335 ( 10.982 22.065 -1.635) 24.701 19.845 ( 15.337 25.308 -7.895) 30.627 21.171 ( -10.701 -26.806 28.812) 40.783 21.777 ( -9.228 -6.105 -3.248) 11.532 22.059 ( 0.052 -3.880 5.928) 7.085 22.102 ( -4.830 -5.469 -5.840) 9.346 22.475 ( 1.221 0.013 -0.979) 1.565 23.624 ( -6.923 -12.246 -3.464) 14.488 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 12.924 10.683 -0.726) 16.784 1.884 ( 6.286 11.996 5.716) 14.700 2.239 ( -0.622 4.663 -3.212) 5.697 2.592 ( 7.641 -6.777 -7.492) 12.667 2.970 ( -8.009 6.721 2.392) 10.726 3.045 ( 6.493 1.369 10.723) 12.611 3.335 ( 0.374 -5.793 2.129) 6.183 3.419 ( 0.030 8.404 0.287) 8.409 3.500 ( 5.355 14.006 11.426) 18.852 3.731 ( 9.427 2.034 7.570) 12.260 3.827 ( 4.842 -0.250 -7.561) 8.982 4.160 ( 1.581 6.705 -3.092) 7.551 4.188 ( 8.124 2.859 2.713) 9.030 4.603 ( -7.000 1.418 2.996) 7.745 4.725 ( 4.285 0.939 -5.253) 6.844 4.899 ( -7.622 -1.375 -5.839) 9.699 5.024 ( 5.990 0.481 1.860) 6.290 5.209 ( -2.436 1.780 -4.765) 5.640 5.396 ( 3.801 1.986 1.168) 4.445 5.459 ( 0.255 -2.725 -2.571) 3.755 5.545 ( -2.752 0.649 -1.890) 3.401 5.708 ( -2.753 -3.909 -0.661) 4.827 5.769 ( -3.360 -5.522 -2.270) 6.851 6.007 ( 2.240 2.563 1.453) 3.701 6.086 ( -0.969 -0.865 1.661) 2.109 6.290 ( 2.513 2.363 2.542) 4.285 6.350 ( -8.802 -3.928 0.578) 9.656 6.678 ( -1.994 -2.245 -2.590) 3.966 6.993 ( -7.119 -8.214 3.240) 11.343 7.441 ( -0.624 -1.721 0.493) 1.896 7.808 ( 2.399 3.550 1.763) 4.633 8.200 ( 0.382 4.310 -18.805) 19.296 8.470 ( 0.174 1.484 4.598) 4.835 8.699 ( 3.099 -8.942 -2.160) 9.707 9.181 ( -2.792 0.102 -0.704) 2.881 9.236 ( 0.374 2.482 -2.794) 3.756 9.290 ( -0.803 3.883 4.260) 5.820 9.583 ( 0.605 -4.541 -7.126) 8.471 9.729 ( 5.089 6.674 4.793) 9.665 9.859 ( -1.961 2.641 0.829) 3.392 9.909 ( 3.506 -9.032 5.150) 10.972 10.101 ( -5.235 -0.035 -4.181) 6.700 10.961 ( -7.950 -11.126 -2.353) 13.876 11.186 ( -6.002 -4.844 -2.128) 8.001 11.449 ( 0.608 -2.917 8.091) 8.622 11.621 ( 3.178 6.212 2.010) 7.262 11.809 ( 5.723 -1.964 -2.781) 6.659 11.848 ( -1.729 13.794 -2.340) 14.097 12.218 ( 1.494 2.909 2.297) 3.997 12.874 ( 2.373 0.991 2.092) 3.315 13.110 ( -5.393 -7.910 1.558) 9.699 13.613 ( -7.329 -1.737 -3.026) 8.117 13.700 ( 2.617 -1.056 -1.245) 3.085 13.803 ( 0.279 -2.346 0.212) 2.372 13.962 ( -0.948 -7.912 3.973) 8.904 14.334 ( -4.737 -6.253 -4.023) 8.816 14.616 ( -4.373 -5.826 5.525) 9.142 15.244 ( 6.437 12.426 -19.412) 23.931 16.188 ( -14.006 -0.361 11.478) 18.112 16.446 ( -5.156 -12.809 -0.838) 13.833 16.640 ( -1.878 -9.139 7.247) 11.814 17.105 ( 2.749 4.174 6.995) 8.597 17.768 ( 6.915 -3.690 -17.313) 19.004 18.158 ( -6.986 10.227 1.383) 12.463 18.604 ( 9.612 1.819 12.684) 16.018 19.230 ( -1.261 21.306 -0.054) 21.343 19.396 ( 17.530 4.333 -2.821) 18.277 19.747 ( 11.139 18.153 -5.539) 22.007 20.236 ( 12.736 8.012 -6.670) 16.458 21.005 ( 0.933 -10.368 26.504) 28.475 21.514 ( -11.744 -6.907 -1.766) 13.738 21.826 ( -10.997 -9.091 -2.730) 14.527 22.079 ( -1.354 -1.069 3.339) 3.758 22.482 ( 2.281 -1.324 -3.360) 4.272 23.321 ( -10.126 -12.175 -5.345) 16.713 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 9.125 12.188 -4.262) 15.811 1.979 ( 4.533 -3.532 0.730) 5.793 2.444 ( 9.365 8.096 2.131) 12.562 2.590 ( 0.593 -5.060 -0.702) 5.143 2.852 ( -10.118 5.675 -1.959) 11.765 3.123 ( 1.298 1.769 2.735) 3.506 3.253 ( -2.537 -9.700 -0.034) 10.026 3.510 ( 3.643 1.452 1.871) 4.345 3.639 ( 1.259 1.437 -1.744) 2.586 3.923 ( 3.778 9.990 2.928) 11.075 3.993 ( 1.527 3.295 0.143) 3.634 4.275 ( 0.089 -0.163 5.510) 5.513 4.389 ( 13.928 5.938 8.562) 17.394 4.630 ( 2.428 7.613 4.173) 9.015 4.724 ( -5.959 0.043 -4.646) 7.556 4.791 ( 4.357 -2.482 0.488) 5.038 5.109 ( -1.203 -2.460 2.015) 3.400 5.151 ( 0.821 -0.771 -6.957) 7.048 5.291 ( -6.300 -0.978 -0.911) 6.440 5.462 ( -3.759 0.066 -9.682) 10.386 5.541 ( -0.470 -0.449 0.078) 0.655 5.574 ( 1.447 -2.216 -4.306) 5.054 5.720 ( -0.898 -2.873 4.787) 5.654 5.885 ( -9.077 -1.703 0.727) 9.263 6.126 ( 0.905 2.103 1.565) 2.773 6.271 ( 2.844 -0.320 9.521) 9.942 6.421 ( -0.306 4.164 -4.011) 5.790 6.615 ( -2.288 -0.476 -1.184) 2.620 6.856 ( 0.185 -6.263 -0.862) 6.325 7.462 ( 1.788 2.690 2.439) 4.047 7.885 ( 0.099 3.366 4.063) 5.277 8.091 ( -4.093 -2.686 -12.722) 13.631 8.563 ( 4.134 1.781 3.332) 5.600 8.679 ( 3.783 -5.261 -3.290) 7.267 9.042 ( -0.323 -6.888 -3.645) 7.800 9.183 ( -7.694 -3.848 -5.665) 10.300 9.352 ( 3.262 2.855 0.420) 4.355 9.536 ( 1.028 2.129 -6.349) 6.775 9.792 ( -4.866 -3.815 0.378) 6.195 9.867 ( 3.245 3.936 8.973) 10.321 10.008 ( 6.059 1.524 1.405) 6.404 10.093 ( -0.404 7.150 -0.481) 7.178 10.689 ( -8.465 -9.231 -2.078) 12.696 11.043 ( -4.367 -3.602 -0.984) 5.746 11.498 ( 0.493 1.225 10.961) 11.040 11.619 ( -5.049 -1.441 -1.216) 5.389 11.909 ( 5.656 4.911 2.744) 7.977 11.999 ( 3.528 5.958 -4.167) 8.081 12.369 ( 9.079 9.410 0.179) 13.077 12.791 ( -10.238 -6.626 -3.196) 12.606 12.963 ( 2.618 -7.231 1.310) 7.801 13.335 ( -14.763 -8.935 0.821) 17.276 13.692 ( -1.136 0.897 0.818) 1.663 13.845 ( 5.194 -3.914 -5.069) 8.245 13.993 ( 5.886 0.090 1.040) 5.978 14.218 ( -1.618 -3.749 -2.382) 4.728 14.517 ( -3.531 -4.208 4.884) 7.351 15.379 ( 4.731 11.220 -19.224) 22.756 16.041 ( -6.374 -4.452 17.918) 19.532 16.180 ( -10.808 -4.443 -1.862) 11.833 16.550 ( -0.598 -9.000 5.090) 10.357 17.339 ( 7.258 10.823 3.793) 13.572 17.753 ( 4.766 -5.892 -12.018) 14.208 18.188 ( -4.708 12.888 3.882) 14.260 18.740 ( -3.254 2.414 10.079) 10.863 19.434 ( 8.108 9.515 -5.886) 13.818 19.708 ( 11.382 4.637 0.905) 12.324 19.961 ( 4.434 2.611 -7.178) 8.832 20.467 ( 11.109 0.046 -1.676) 11.234 21.116 ( -0.228 3.517 14.011) 14.448 21.240 ( -9.874 -4.157 0.796) 10.742 21.551 ( -7.437 -7.119 1.629) 10.424 22.027 ( -5.572 0.782 4.045) 6.930 22.527 ( 7.100 -2.311 -6.635) 9.989 23.012 ( -8.374 -9.535 -4.459) 13.451 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 2.621 11.871 3.408) 12.626 2.074 ( 11.060 -5.454 -2.384) 12.560 2.392 ( -8.821 -6.856 -6.102) 12.730 2.697 ( 4.191 7.212 5.373) 9.923 2.800 ( -1.587 3.503 0.399) 3.866 3.012 ( -10.552 -11.098 -1.190) 15.360 3.184 ( 0.753 3.319 0.628) 3.460 3.617 ( 5.729 -0.806 4.418) 7.279 3.656 ( 1.771 0.131 -4.563) 4.896 3.884 ( -11.759 0.919 2.575) 12.073 4.108 ( 6.249 0.269 -0.183) 6.258 4.275 ( -3.013 0.255 7.128) 7.743 4.465 ( -8.344 -5.922 -5.428) 11.583 4.663 ( 1.308 2.251 0.453) 2.642 4.792 ( 2.048 2.277 3.480) 4.636 4.900 ( 3.209 2.299 -0.783) 4.024 4.936 ( -4.030 -4.698 0.794) 6.240 5.214 ( -4.064 5.331 -0.724) 6.743 5.241 ( 6.623 2.664 1.186) 7.237 5.464 ( 5.715 4.187 -3.701) 7.993 5.506 ( 1.260 0.903 -3.917) 4.212 5.601 ( -0.633 -1.098 0.072) 1.270 5.678 ( 0.174 -2.552 4.459) 5.140 5.832 ( 0.725 1.458 0.773) 1.803 6.101 ( -5.321 2.708 -1.547) 6.168 6.328 ( -4.807 -3.695 -1.155) 6.172 6.418 ( 4.706 2.889 7.280) 9.137 6.606 ( -0.140 2.350 0.311) 2.374 6.814 ( 2.174 -9.008 -2.383) 9.568 7.582 ( 2.628 9.996 3.543) 10.926 7.785 ( -10.202 -4.258 -2.385) 11.309 8.076 ( 7.840 -0.153 0.054) 7.841 8.525 ( -3.242 -7.036 -1.009) 7.812 8.762 ( 4.102 0.626 0.016) 4.149 9.008 ( -2.377 -1.560 -7.732) 8.239 9.063 ( 9.176 -2.673 -3.510) 10.181 9.345 ( 1.835 -8.390 0.371) 8.597 9.629 ( -1.491 4.643 4.807) 6.848 9.686 ( -2.375 6.717 -10.141) 12.394 9.931 ( -3.031 -2.116 4.126) 5.540 10.124 ( -0.597 12.328 1.940) 12.494 10.159 ( 4.218 -2.564 -1.130) 5.064 10.538 ( 1.569 -1.495 -2.165) 3.063 10.952 ( -3.419 -1.422 2.902) 4.704 11.460 ( -4.844 -7.394 -0.448) 8.851 11.569 ( -3.430 4.923 9.641) 11.355 11.953 ( 1.919 -4.896 -4.515) 6.931 12.153 ( -0.183 10.520 5.228) 11.748 12.531 ( -3.187 -6.740 -3.916) 8.421 12.666 ( 8.998 6.553 -0.437) 11.140 12.922 ( -9.883 -4.771 2.306) 11.214 13.115 ( 9.146 -2.624 -1.659) 9.658 13.685 ( 0.006 -0.860 0.648) 1.076 13.847 ( 2.409 -4.175 -6.664) 8.224 14.066 ( -1.800 1.191 -3.641) 4.233 14.196 ( 5.140 -2.524 3.865) 6.909 14.443 ( -2.573 -2.609 1.418) 3.929 15.501 ( 5.210 11.601 -16.713) 21.001 15.923 ( -6.856 -12.121 12.306) 18.584 16.081 ( -1.251 6.722 6.896) 9.711 16.512 ( 3.022 -6.142 5.050) 8.507 17.469 ( -3.441 7.449 -14.005) 16.232 17.789 ( 9.051 -6.847 9.302) 14.675 18.268 ( -4.833 14.296 6.649) 16.490 18.665 ( -9.446 4.465 -1.565) 10.565 19.496 ( -4.444 -6.005 -8.439) 11.270 19.872 ( 2.665 1.011 5.017) 5.770 20.025 ( 7.658 -2.486 -3.226) 8.674 20.523 ( -1.756 -4.520 -3.969) 6.267 21.067 ( -11.155 -2.606 1.820) 11.599 21.140 ( 2.491 4.005 0.815) 4.786 21.547 ( 3.593 2.848 12.171) 13.006 21.979 ( -2.408 3.869 1.374) 4.760 22.541 ( 1.105 -7.281 -9.587) 12.088 22.904 ( 6.065 -0.514 -0.322) 6.095 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -13.652 -1.480 4.606) 14.483 2.089 ( -5.589 1.305 -10.731) 12.169 2.308 ( 6.809 0.460 2.919) 7.422 2.616 ( -6.311 -11.687 -1.939) 13.423 2.840 ( -1.788 2.869 0.361) 3.400 2.894 ( 3.469 2.386 4.555) 6.203 3.211 ( -1.914 3.717 0.514) 4.213 3.600 ( -13.930 -3.222 6.586) 15.741 3.645 ( -11.009 -0.982 1.349) 11.135 3.689 ( 4.212 -6.712 1.202) 8.014 4.079 ( -9.417 -0.519 -4.749) 10.560 4.194 ( -3.607 -3.449 -2.630) 5.641 4.281 ( -0.865 -1.462 2.297) 2.857 4.724 ( 1.278 -1.702 4.292) 4.791 4.765 ( -3.690 3.753 -3.357) 6.243 4.893 ( 6.306 0.102 1.112) 6.404 5.003 ( -0.364 4.834 -0.372) 4.862 5.207 ( -1.722 1.974 -6.798) 7.285 5.413 ( 7.320 1.495 0.775) 7.512 5.503 ( 1.932 -0.719 1.031) 2.305 5.541 ( -0.399 -2.647 -2.436) 3.619 5.658 ( 5.142 0.887 -0.085) 5.218 5.741 ( 4.967 0.602 7.513) 9.027 5.875 ( 1.651 2.521 -2.657) 4.018 6.074 ( -0.548 7.949 1.452) 8.099 6.191 ( -4.901 -3.133 -0.504) 5.839 6.558 ( -4.953 -4.112 -0.390) 6.449 6.590 ( 5.538 1.061 6.318) 8.468 6.757 ( 2.858 -2.463 -2.604) 4.584 7.574 ( -4.981 -4.405 -3.310) 7.428 7.748 ( 0.060 11.615 3.026) 12.003 8.230 ( 4.661 -1.359 5.481) 7.322 8.432 ( 2.664 -0.921 -0.775) 2.923 8.719 ( -0.539 -7.457 -4.743) 8.854 9.035 ( 2.600 0.794 0.810) 2.837 9.226 ( 7.909 3.635 -5.310) 10.196 9.319 ( 4.277 -6.794 1.669) 8.200 9.564 ( -5.843 1.540 0.366) 6.053 9.713 ( -3.106 4.823 -2.458) 6.241 9.810 ( -5.367 0.284 -5.119) 7.422 10.096 ( -5.207 -2.479 4.926) 7.584 10.322 ( 11.134 3.707 -9.411) 15.042 10.693 ( 12.217 4.589 -2.318) 13.255 10.934 ( -2.675 4.051 11.785) 12.746 11.303 ( -2.263 -7.556 -1.921) 8.118 11.578 ( -4.780 4.022 8.060) 10.198 11.905 ( 0.696 -4.173 -6.620) 7.856 12.107 ( -12.117 2.705 6.950) 14.228 12.490 ( -7.117 -2.301 2.490) 7.883 12.624 ( 5.493 -9.048 -3.637) 11.192 12.983 ( 8.797 4.703 3.260) 10.495 13.406 ( 15.364 9.276 -2.693) 18.149 13.698 ( 4.815 -3.600 -1.196) 6.130 13.788 ( -2.530 -0.434 -6.345) 6.844 13.963 ( -6.257 -1.610 -1.971) 6.755 14.327 ( 6.777 -1.042 6.577) 9.501 14.396 ( 0.818 -0.706 -3.092) 3.275 15.629 ( -3.298 12.561 -15.853) 20.494 15.777 ( 3.579 -9.608 12.795) 16.396 16.224 ( 5.839 5.159 9.333) 12.158 16.587 ( 8.448 -2.747 5.200) 10.293 17.294 ( -9.675 -3.444 -17.449) 20.246 17.941 ( 6.553 -2.942 13.267) 15.087 18.329 ( -5.933 7.101 3.858) 10.026 18.524 ( -10.296 7.762 -7.130) 14.734 19.217 ( -12.511 -4.267 -1.606) 13.315 19.793 ( -10.331 -6.513 3.924) 12.828 20.096 ( -0.249 -5.579 1.918) 5.905 20.374 ( -1.390 -4.393 -9.080) 10.182 20.787 ( -17.662 -1.971 1.010) 17.800 21.349 ( 12.230 5.557 3.389) 13.854 21.714 ( 5.348 3.580 8.277) 10.485 22.038 ( 4.034 3.605 -3.807) 6.615 22.427 ( -0.482 -5.437 -3.707) 6.598 23.122 ( 14.322 3.360 -1.567) 14.794 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -24.067 -2.508 -7.748) 25.408 1.768 ( -23.206 -9.632 6.668) 25.995 2.424 ( -3.135 2.142 -0.828) 3.886 2.578 ( 5.729 -4.009 -5.487) 8.888 2.727 ( -10.054 2.824 6.360) 12.227 2.990 ( 0.864 3.774 2.282) 4.494 3.207 ( -2.362 -5.216 0.027) 5.726 3.283 ( -9.247 2.476 10.173) 13.968 3.514 ( -7.001 -0.087 5.232) 8.741 3.626 ( -2.218 -9.507 -1.089) 9.823 3.938 ( -3.392 5.923 -8.439) 10.854 4.105 ( -5.266 -0.785 -0.845) 5.391 4.263 ( -1.332 -2.826 -0.063) 3.124 4.692 ( 2.704 -2.604 -2.406) 4.459 4.835 ( 0.002 4.434 4.599) 6.388 4.934 ( 0.241 -4.706 -7.970) 9.258 5.080 ( -0.763 7.462 9.130) 11.817 5.126 ( -0.396 -2.629 -6.563) 7.081 5.410 ( -3.483 -3.640 -0.444) 5.057 5.477 ( -5.124 0.083 -0.997) 5.220 5.603 ( 5.092 2.059 1.883) 5.806 5.695 ( 2.401 -1.535 -3.571) 4.569 5.903 ( 5.702 0.867 1.880) 6.066 5.929 ( 3.205 2.746 -2.216) 4.767 6.098 ( -1.415 -1.440 -0.577) 2.100 6.270 ( 8.767 6.234 5.607) 12.131 6.322 ( -7.270 -7.002 -0.974) 10.140 6.730 ( 3.536 0.835 -0.532) 3.672 6.864 ( 9.073 3.575 4.007) 10.543 7.514 ( 3.976 -3.538 -2.959) 6.090 7.804 ( -3.278 5.025 -2.510) 6.504 8.258 ( -3.926 5.900 10.780) 12.900 8.538 ( 4.953 -8.013 -3.358) 10.001 8.695 ( 9.775 0.861 -5.808) 11.403 9.029 ( -4.153 -0.686 6.203) 7.496 9.237 ( -9.060 0.450 -5.771) 10.751 9.337 ( -0.189 5.941 1.252) 6.075 9.491 ( -5.763 0.229 -1.921) 6.079 9.675 ( 2.995 -5.257 4.250) 7.393 9.873 ( 9.426 4.077 -3.888) 10.981 9.975 ( -6.608 -2.435 2.912) 7.621 10.440 ( 9.092 -4.383 -21.155) 23.439 10.957 ( 11.894 2.990 2.791) 12.578 11.082 ( 4.792 9.070 14.880) 18.073 11.252 ( 3.038 -1.301 -0.691) 3.377 11.561 ( -2.816 1.298 3.653) 4.792 11.823 ( -7.920 3.901 -4.784) 10.042 11.949 ( -4.675 -6.607 5.187) 9.614 12.306 ( -3.922 -7.694 -1.670) 8.797 12.670 ( -2.089 2.444 6.303) 7.076 13.158 ( 6.048 -0.268 -1.210) 6.174 13.630 ( -1.109 5.146 -4.566) 6.968 13.762 ( 9.121 -1.626 0.694) 9.291 13.807 ( -3.151 -0.852 -4.160) 5.288 13.859 ( 6.744 1.980 1.446) 7.176 14.420 ( 6.408 1.529 -2.208) 6.948 14.499 ( 7.811 0.274 4.032) 8.794 15.477 ( -10.762 -0.332 -2.562) 11.068 15.978 ( 10.528 6.823 3.594) 13.050 16.466 ( 12.902 2.388 7.368) 15.048 16.790 ( 11.918 -1.608 0.897) 12.059 16.936 ( -12.389 -9.230 -10.794) 18.847 18.068 ( 3.504 1.421 9.820) 10.523 18.160 ( -10.485 -0.235 -17.059) 20.025 18.426 ( -5.593 -3.104 5.727) 8.586 19.068 ( -11.523 13.708 5.089) 18.617 19.459 ( -15.869 -14.042 3.200) 21.430 19.818 ( -22.062 -2.319 -2.218) 22.294 20.404 ( -15.988 -5.147 18.030) 24.641 20.464 ( 7.172 1.307 -16.425) 17.971 21.640 ( 13.454 1.807 1.180) 13.625 21.864 ( 5.297 2.589 3.539) 6.876 22.113 ( 5.984 -2.148 -6.789) 9.301 22.417 ( 1.074 1.594 2.706) 3.319 23.413 ( 15.120 2.910 -2.721) 15.636 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -5.822 17.874 13.400) 23.085 1.281 ( -11.262 16.911 13.620) 24.461 2.111 ( -9.320 11.790 4.495) 15.686 2.665 ( -1.719 8.660 6.442) 10.929 2.789 ( -5.225 0.696 -7.189) 8.914 2.963 ( 2.894 1.513 4.355) 5.444 3.203 ( -2.112 0.323 5.591) 5.985 3.327 ( 8.178 1.444 0.164) 8.306 3.404 ( 0.746 -0.420 4.014) 4.104 3.601 ( -5.217 -6.890 3.662) 9.387 3.872 ( -9.429 2.661 -6.323) 11.661 3.976 ( -0.700 8.200 -1.854) 8.436 4.180 ( -2.632 8.942 -2.918) 9.767 4.644 ( 0.060 -1.200 -8.184) 8.272 4.756 ( -3.339 3.556 -0.002) 4.878 4.933 ( 4.388 7.562 -4.674) 9.914 5.031 ( 2.817 0.672 -2.585) 3.882 5.216 ( -5.349 -0.986 2.355) 5.927 5.265 ( -0.609 -3.470 3.494) 4.962 5.409 ( -1.481 2.295 3.536) 4.468 5.635 ( 4.632 -0.870 -3.668) 5.972 5.788 ( 0.668 -0.470 -2.017) 2.176 5.893 ( 1.417 -1.021 -2.999) 3.470 5.955 ( -3.403 -1.620 -0.069) 3.769 6.039 ( -0.009 5.361 -1.974) 5.713 6.137 ( -4.945 4.938 0.857) 7.041 6.666 ( 8.952 -12.977 0.390) 15.770 6.737 ( 3.484 -7.537 4.009) 9.220 7.175 ( 9.286 -15.625 7.763) 19.764 7.672 ( 4.153 -1.550 -5.156) 6.799 7.767 ( 5.191 1.918 -5.827) 8.035 7.899 ( -6.171 0.834 -6.676) 9.129 8.544 ( -2.705 -5.148 0.598) 5.846 8.668 ( 5.512 -1.234 -4.463) 7.199 8.861 ( -4.241 -7.993 2.501) 9.388 9.119 ( -5.004 9.219 2.166) 10.711 9.334 ( -8.243 -0.111 0.104) 8.245 9.450 ( -0.808 10.474 0.370) 10.512 9.752 ( -0.523 3.240 2.165) 3.932 9.867 ( 7.833 2.472 -0.112) 8.215 10.029 ( -4.909 1.846 2.783) 5.938 10.528 ( 6.031 -5.943 -12.656) 15.227 11.155 ( 2.158 -11.406 -3.302) 12.068 11.224 ( -0.281 -3.325 -0.507) 3.376 11.416 ( 5.719 -3.878 4.281) 8.129 11.576 ( -0.760 -2.968 3.817) 4.895 11.637 ( -0.148 0.050 -0.035) 0.160 11.914 ( -0.425 1.614 -1.246) 2.083 12.170 ( 0.399 8.094 -2.289) 8.421 12.530 ( -1.230 4.758 9.856) 11.013 13.339 ( 0.459 -1.726 3.427) 3.864 13.598 ( -2.933 2.436 -4.568) 5.950 13.686 ( -2.948 0.144 -0.180) 2.957 13.952 ( 1.716 -5.835 0.169) 6.085 14.174 ( 6.893 -13.589 8.051) 17.233 14.482 ( 4.185 -12.335 -2.680) 13.299 14.676 ( -4.052 -1.406 -5.045) 6.622 14.838 ( 3.664 4.523 -5.644) 8.108 16.213 ( 2.458 13.488 -0.305) 13.714 16.835 ( 6.265 -20.978 6.210) 22.757 17.018 ( 7.866 -10.617 2.374) 13.425 17.164 ( -0.861 -1.127 8.180) 8.302 17.731 ( 7.771 -3.628 -11.981) 14.734 18.332 ( -20.554 -4.334 3.664) 21.323 18.474 ( 5.591 24.083 -3.883) 25.027 18.660 ( -4.076 4.722 3.015) 6.928 19.019 ( -4.630 11.855 -0.283) 12.730 19.393 ( -15.015 22.289 -1.024) 26.894 19.647 ( -9.237 16.835 -3.742) 19.563 21.487 ( 2.546 -14.871 22.462) 27.058 21.822 ( 10.470 -3.901 5.241) 12.341 22.090 ( 8.509 -8.133 -1.997) 11.939 22.159 ( -7.913 -2.007 -6.026) 10.146 22.300 ( 3.345 -1.639 -0.487) 3.757 23.621 ( 6.980 -12.333 -3.587) 14.618 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -11.447 14.778 7.974) 20.323 1.663 ( 8.444 20.684 15.003) 26.912 2.181 ( 5.362 6.275 -6.044) 10.230 2.550 ( -8.545 1.045 -11.972) 14.746 2.902 ( 0.938 11.949 22.455) 25.453 3.049 ( 2.247 0.999 3.903) 4.613 3.252 ( 3.408 2.940 4.960) 6.698 3.357 ( -6.523 2.964 2.632) 7.633 3.507 ( 6.524 -6.629 3.495) 9.936 3.569 ( 6.238 7.178 1.767) 9.672 3.719 ( -7.915 3.660 -5.960) 10.562 4.012 ( -1.628 6.424 -3.368) 7.433 4.223 ( -2.087 8.505 -2.190) 9.027 4.613 ( 1.386 0.685 -7.815) 7.967 4.746 ( -0.250 2.092 -3.357) 3.964 5.001 ( 0.129 2.511 -3.702) 4.475 5.090 ( -3.720 2.770 -1.967) 5.038 5.151 ( 1.740 -3.069 -1.452) 3.815 5.242 ( 1.237 0.156 6.195) 6.319 5.439 ( -0.127 2.655 4.109) 4.894 5.673 ( 0.853 -0.846 -2.664) 2.922 5.781 ( 0.470 -0.660 -2.367) 2.502 5.821 ( -1.389 -7.619 -5.260) 9.362 5.942 ( -0.358 3.622 0.963) 3.765 6.090 ( -1.059 2.121 -0.451) 2.413 6.145 ( 0.228 9.397 -0.484) 9.413 6.610 ( 1.716 -18.092 4.037) 18.616 6.714 ( 0.383 -3.673 -1.231) 3.893 7.135 ( 2.129 -17.810 7.114) 19.296 7.625 ( -3.579 -4.480 -1.880) 6.034 7.693 ( -3.324 1.014 -4.169) 5.428 7.980 ( 7.547 7.292 -10.938) 15.158 8.562 ( 0.900 0.276 -6.540) 6.607 8.769 ( 0.412 -8.266 7.645) 11.267 8.914 ( 19.891 1.056 0.858) 19.937 9.043 ( -5.267 4.292 5.564) 8.781 9.265 ( 0.153 4.599 -1.850) 4.959 9.513 ( -5.184 5.285 -2.558) 7.832 9.839 ( 3.681 3.552 3.095) 5.979 9.907 ( -7.370 -1.326 -1.612) 7.660 9.951 ( -0.912 -2.663 0.865) 2.945 10.368 ( -7.609 -5.527 -7.221) 11.857 11.061 ( 1.795 -12.232 -3.089) 12.743 11.226 ( 2.418 -2.047 -0.472) 3.203 11.470 ( -2.068 -9.724 9.749) 13.924 11.513 ( 3.810 1.181 -0.777) 4.064 11.655 ( -0.605 6.029 -2.083) 6.407 11.935 ( 1.594 3.434 -2.315) 4.438 12.249 ( -1.385 7.212 -2.262) 7.685 12.723 ( 6.536 6.430 9.751) 13.384 13.257 ( -6.043 -3.668 1.190) 7.168 13.575 ( 0.267 -2.683 0.655) 2.775 13.618 ( -0.033 2.076 -6.009) 6.358 13.925 ( 1.044 -5.627 2.120) 6.103 14.099 ( -0.904 -17.650 6.595) 18.864 14.424 ( 2.020 -8.543 -1.478) 8.902 14.645 ( 1.645 -2.280 -0.517) 2.858 14.954 ( 6.319 6.047 -11.413) 14.379 16.357 ( -0.287 7.171 -1.602) 7.354 16.699 ( -3.790 -9.518 8.812) 13.513 16.948 ( -10.322 -12.433 4.581) 16.796 17.031 ( 4.198 -11.641 2.478) 12.621 17.815 ( -6.759 2.987 -11.350) 13.544 18.077 ( 3.662 1.265 -0.829) 3.962 18.545 ( -5.462 8.425 5.828) 11.610 18.892 ( 9.128 12.981 5.891) 16.927 19.225 ( 4.270 14.155 -4.006) 15.319 19.386 ( -1.673 25.431 -5.940) 26.169 19.907 ( 6.944 24.574 -1.606) 25.587 21.263 ( -12.626 -20.552 22.102) 32.715 21.850 ( -6.865 -6.373 -1.789) 9.536 22.000 ( 2.730 -3.476 5.258) 6.869 22.066 ( 0.085 -8.962 -3.954) 9.795 22.398 ( 5.036 -1.283 -2.948) 5.975 23.523 ( 0.146 -15.559 -4.030) 16.073 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 2.097 12.198 -1.227) 12.438 2.005 ( 1.936 15.917 7.208) 17.581 2.301 ( 4.728 3.214 -6.697) 8.805 2.412 ( -2.843 2.360 -4.745) 6.014 3.038 ( 0.183 -2.422 12.621) 12.852 3.098 ( 0.901 0.216 4.088) 4.191 3.310 ( -1.299 -2.129 4.455) 5.105 3.438 ( 1.140 5.215 -5.874) 7.937 3.615 ( 11.031 5.156 3.491) 12.667 3.660 ( -2.864 6.667 1.312) 7.374 3.767 ( 3.588 13.242 7.129) 15.461 4.103 ( 6.367 6.362 2.037) 9.229 4.250 ( -2.952 7.213 -0.812) 7.836 4.638 ( 3.703 0.736 -6.116) 7.187 4.737 ( -2.531 2.473 -3.412) 4.916 4.950 ( -5.531 -4.155 -1.903) 7.175 5.012 ( -1.739 1.074 3.432) 3.995 5.225 ( 3.220 4.381 -10.772) 12.067 5.264 ( 4.334 -3.798 3.140) 6.563 5.487 ( -1.205 0.963 3.936) 4.227 5.605 ( -5.435 -2.011 -3.406) 6.722 5.708 ( 0.030 -7.273 2.547) 7.706 5.745 ( -2.509 -1.478 -5.294) 6.042 5.998 ( 2.468 3.019 -0.467) 3.927 6.076 ( 0.573 -1.381 0.860) 1.725 6.292 ( 4.258 9.786 -2.440) 10.948 6.419 ( -6.347 -12.373 5.571) 14.980 6.669 ( -1.292 -1.825 -3.316) 3.999 6.987 ( -2.822 -12.990 3.623) 13.778 7.486 ( -4.896 -0.295 0.849) 4.978 7.757 ( 5.694 2.200 -1.558) 6.300 8.095 ( 4.533 3.642 -14.876) 15.972 8.515 ( -0.644 -1.390 -4.884) 5.119 8.673 ( -5.771 -1.768 7.790) 9.854 9.139 ( 6.338 0.423 0.710) 6.391 9.209 ( 4.924 -1.984 3.037) 6.116 9.364 ( 3.005 0.905 -6.347) 7.080 9.436 ( 0.898 3.100 1.385) 3.512 9.761 ( -1.080 -12.181 -0.515) 12.239 9.796 ( -3.802 -1.141 2.257) 4.566 9.922 ( -2.001 2.345 -2.122) 3.743 10.253 ( -4.989 6.870 2.637) 8.890 10.920 ( -2.258 -12.847 -1.811) 13.169 11.192 ( -1.783 -5.183 -3.187) 6.340 11.403 ( 1.269 -5.128 6.835) 8.638 11.628 ( 1.594 7.786 -0.789) 7.986 11.719 ( 4.562 2.333 0.116) 5.125 12.046 ( 1.369 12.402 -0.277) 12.480 12.237 ( -3.352 3.100 -2.089) 5.021 12.810 ( -0.339 -5.994 2.737) 6.598 13.156 ( -3.498 -2.956 1.772) 4.910 13.583 ( 5.572 -5.253 0.463) 7.672 13.654 ( 0.995 2.320 -5.228) 5.806 13.855 ( -6.568 -5.670 5.193) 10.112 13.901 ( -0.990 -11.224 1.770) 11.406 14.323 ( -3.637 -5.123 -3.810) 7.348 14.626 ( -1.154 -5.730 4.018) 7.093 15.102 ( 9.922 6.675 -16.577) 20.440 16.291 ( -2.779 -13.458 8.459) 16.137 16.595 ( -12.852 7.058 -0.410) 14.668 16.688 ( -7.963 -9.058 7.319) 14.108 17.047 ( 7.518 -3.430 7.777) 11.347 17.671 ( -3.699 6.582 -19.043) 20.485 18.241 ( 7.616 1.339 4.502) 8.948 18.634 ( 0.367 11.172 8.105) 13.807 19.159 ( 9.418 4.647 1.792) 10.653 19.431 ( 3.152 19.735 -4.708) 20.532 19.746 ( 12.679 19.524 -2.758) 23.442 20.139 ( -1.797 7.980 -6.795) 10.634 21.055 ( -1.434 -5.478 25.199) 25.828 21.625 ( -9.162 -6.717 -0.232) 11.363 21.876 ( -7.322 -10.264 -6.353) 14.118 22.063 ( 3.209 -2.266 6.260) 7.391 22.408 ( 1.132 -3.553 -4.291) 5.684 23.294 ( -5.209 -15.400 -4.938) 16.990 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 11.625 9.245 -5.190) 15.733 2.035 ( -8.438 4.932 -1.672) 9.916 2.437 ( 1.791 6.844 3.794) 8.028 2.462 ( 7.757 1.249 0.017) 7.857 3.065 ( -3.615 3.363 -1.036) 5.045 3.114 ( 0.261 -0.513 6.615) 6.640 3.212 ( -1.577 -6.586 2.173) 7.112 3.436 ( 2.191 -3.036 -4.971) 6.223 3.645 ( -2.381 1.951 -3.531) 4.684 3.836 ( 6.934 5.796 -3.006) 9.524 4.154 ( 11.224 13.030 12.643) 21.345 4.226 ( -3.128 6.272 -1.235) 7.117 4.370 ( 4.551 8.282 13.146) 16.190 4.662 ( 1.965 -6.473 -0.114) 6.766 4.698 ( -1.784 2.727 -3.817) 5.019 4.821 ( -2.931 3.291 -2.064) 4.866 5.053 ( 3.510 -0.869 3.419) 4.976 5.181 ( -4.125 0.546 -5.225) 6.679 5.358 ( 0.104 -3.566 -1.976) 4.078 5.425 ( 1.901 1.013 -0.992) 2.372 5.484 ( -2.758 -4.164 -5.196) 7.208 5.631 ( -6.295 1.328 -6.005) 8.801 5.692 ( 1.822 -3.261 4.586) 5.914 6.031 ( -4.288 -1.327 -1.197) 4.646 6.109 ( 4.142 1.631 3.782) 5.841 6.248 ( -1.746 -6.146 5.080) 8.163 6.460 ( 3.436 8.004 -0.683) 8.737 6.602 ( -2.068 -2.569 -3.094) 4.522 6.813 ( -4.349 -9.066 -0.615) 10.074 7.483 ( 1.225 4.757 2.189) 5.378 7.862 ( 4.453 0.835 -2.549) 5.198 8.079 ( -1.865 -1.334 -9.053) 9.339 8.493 ( 2.012 -1.439 -5.310) 5.858 8.648 ( -0.942 2.418 4.554) 5.241 9.047 ( -6.982 -2.933 -3.430) 8.314 9.185 ( -1.761 -10.616 -2.477) 11.042 9.329 ( -2.395 -5.106 3.816) 6.809 9.523 ( 3.923 8.073 -8.605) 12.434 9.732 ( 5.289 -11.899 7.276) 14.917 9.835 ( 2.026 2.252 2.821) 4.139 9.949 ( 4.775 8.245 0.162) 9.530 10.282 ( -4.307 9.931 2.763) 11.172 10.711 ( -6.251 -10.896 -1.562) 12.658 11.078 ( -3.711 -3.455 -0.479) 5.093 11.461 ( 5.080 -1.793 5.491) 7.692 11.670 ( -0.862 1.638 -1.241) 2.228 11.846 ( 3.983 1.044 -1.107) 4.264 12.111 ( -5.293 13.189 -2.923) 14.509 12.332 ( 6.757 8.756 1.855) 11.214 12.728 ( 2.988 -9.712 -1.653) 10.295 12.976 ( -10.640 -7.981 0.783) 13.324 13.511 ( -11.010 -7.833 0.097) 13.512 13.625 ( 5.233 -15.606 -2.903) 16.714 13.742 ( -0.666 2.941 2.928) 4.203 13.920 ( 4.079 3.704 1.248) 5.649 14.204 ( -3.015 -1.539 -4.717) 5.806 14.539 ( -2.939 -6.120 4.389) 8.084 15.273 ( 8.978 6.368 -15.445) 18.966 16.130 ( -4.252 -12.609 10.646) 17.041 16.398 ( -13.612 4.879 1.117) 14.503 16.533 ( -4.921 -5.031 4.762) 8.498 17.287 ( 13.809 0.626 12.187) 18.428 17.622 ( -2.392 8.860 -22.022) 23.858 18.397 ( 2.859 5.012 10.593) 12.063 18.820 ( 1.201 12.456 6.647) 14.169 19.292 ( 7.708 -5.313 -9.631) 13.431 19.698 ( 6.746 17.542 0.147) 18.795 19.949 ( -7.886 1.855 -0.753) 8.136 20.217 ( 15.965 4.511 -3.399) 16.935 21.230 ( 3.181 5.822 17.630) 18.837 21.397 ( -11.078 -2.363 -1.038) 11.375 21.589 ( -7.194 -11.733 -0.608) 13.777 22.117 ( 0.239 1.246 5.249) 5.400 22.353 ( 2.150 -5.829 -8.291) 10.361 23.017 ( -6.839 -12.304 -4.222) 14.696 ======================= Grid point 116 (57/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 16.611 4.698 -5.280) 18.052 1.944 ( -5.410 3.935 5.008) 8.356 2.421 ( -5.026 -3.350 -3.624) 7.044 2.652 ( 7.418 3.845 2.118) 8.620 2.959 ( -8.275 2.978 -1.197) 8.875 3.116 ( -7.934 -2.134 5.076) 9.658 3.183 ( 3.310 0.624 0.314) 3.383 3.480 ( 8.296 -2.563 -0.341) 8.690 3.611 ( -0.355 0.078 -4.825) 4.839 3.945 ( 2.753 -0.479 -1.797) 3.322 4.207 ( -7.383 8.180 5.047) 12.120 4.358 ( -2.167 -0.263 5.620) 6.029 4.462 ( 3.903 -3.060 0.704) 5.009 4.566 ( -2.180 -6.615 -2.482) 7.394 4.795 ( 5.164 1.552 3.571) 6.468 4.915 ( 3.171 9.769 0.259) 10.274 5.016 ( -9.707 -2.304 0.846) 10.012 5.161 ( 5.142 2.062 0.290) 5.547 5.324 ( -0.128 4.392 -1.306) 4.584 5.435 ( 2.458 2.498 -2.808) 4.490 5.501 ( -5.288 -0.734 -6.513) 8.421 5.521 ( 5.629 -0.536 -0.652) 5.692 5.714 ( -1.401 -2.570 4.832) 5.649 5.890 ( -6.441 0.973 1.902) 6.786 6.176 ( 0.217 1.316 -1.512) 2.016 6.289 ( 5.234 -2.463 5.517) 7.994 6.464 ( -5.131 0.695 -1.769) 5.472 6.606 ( 4.831 -1.392 0.011) 5.028 6.667 ( -1.971 -6.794 -2.695) 7.570 7.635 ( 4.937 11.017 2.616) 12.352 7.910 ( -6.834 -4.513 1.886) 8.404 7.935 ( 3.645 -2.501 -6.394) 7.773 8.480 ( 0.688 -2.721 -5.003) 5.737 8.705 ( 2.907 -0.663 3.846) 4.866 8.957 ( -0.711 -1.004 0.208) 1.248 9.018 ( -2.797 -2.191 -6.110) 7.068 9.238 ( -1.270 -7.547 0.009) 7.653 9.642 ( 3.774 -2.378 -9.506) 10.500 9.693 ( 1.977 3.901 4.897) 6.566 9.968 ( 2.821 2.196 6.431) 7.358 10.105 ( 1.767 6.259 -0.825) 6.556 10.309 ( -3.791 8.011 1.432) 8.977 10.505 ( -3.925 -6.537 -2.200) 7.936 11.011 ( -2.457 0.077 3.714) 4.453 11.484 ( -3.594 -5.770 3.257) 7.537 11.688 ( 0.047 6.022 3.066) 6.758 11.829 ( 2.385 -6.778 -7.164) 10.147 12.234 ( 3.272 9.881 4.496) 11.338 12.478 ( -0.668 1.181 -4.991) 5.172 12.712 ( -4.045 1.819 1.634) 4.726 12.853 ( 13.099 -0.347 -0.628) 13.119 13.142 ( -19.047 -8.568 0.365) 20.889 13.518 ( 6.243 -19.720 -1.788) 20.762 13.817 ( 0.843 5.278 -0.352) 5.356 14.060 ( 5.729 4.199 1.629) 7.287 14.135 ( -2.298 -1.019 -3.160) 4.038 14.448 ( -2.153 -5.451 1.777) 6.125 15.423 ( 7.420 6.933 -11.510) 15.350 15.974 ( -5.443 -9.080 7.338) 12.881 16.270 ( -7.207 3.770 5.779) 9.978 16.461 ( -1.974 0.420 3.079) 3.682 17.477 ( 4.168 -9.899 -11.730) 15.904 17.654 ( 3.297 14.392 6.442) 16.109 18.514 ( -1.087 2.718 11.555) 11.921 18.880 ( -9.557 13.246 -2.760) 16.565 19.366 ( 10.368 -3.585 -10.006) 14.848 19.786 ( 0.245 -11.488 -1.615) 11.603 19.987 ( 2.414 15.231 4.254) 15.997 20.450 ( 5.341 -1.630 -0.934) 5.662 21.189 ( -6.845 1.710 -7.451) 10.261 21.225 ( -6.735 -2.747 5.036) 8.847 21.565 ( 3.495 -0.720 15.485) 15.891 22.095 ( -6.574 2.726 1.064) 7.196 22.350 ( 7.764 -5.301 -9.634) 13.461 22.822 ( -1.048 -6.085 -1.246) 6.299 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 4.933 -6.805 3.603) 9.145 2.105 ( 6.114 12.503 -6.522) 15.371 2.190 ( -8.072 -2.632 -5.579) 10.160 2.728 ( -10.713 -8.257 2.115) 13.691 2.848 ( 3.614 3.266 5.551) 7.385 3.004 ( -6.865 6.586 2.720) 9.895 3.221 ( 1.144 -1.642 -2.742) 3.395 3.578 ( 1.285 -4.048 1.877) 4.643 3.613 ( 4.365 -0.970 -2.530) 5.137 3.953 ( -4.100 5.363 2.723) 7.280 4.132 ( -8.227 -2.318 7.580) 11.424 4.260 ( -7.562 -4.812 -1.197) 9.042 4.345 ( -4.343 -1.874 -0.179) 4.734 4.632 ( 9.540 -1.364 -4.419) 10.602 4.799 ( -9.352 -3.781 1.470) 10.194 4.887 ( 1.571 3.160 3.609) 5.048 5.038 ( 1.799 6.926 -6.293) 9.529 5.268 ( 0.438 -0.865 -2.042) 2.260 5.320 ( -1.251 5.207 -3.134) 6.204 5.455 ( 3.717 0.647 -0.205) 3.778 5.548 ( -2.494 -1.315 -3.791) 4.724 5.589 ( 4.954 3.051 1.470) 6.001 5.665 ( 5.046 -3.291 9.826) 11.526 5.873 ( -0.655 0.419 -0.763) 1.089 6.177 ( -0.332 -1.207 -0.295) 1.286 6.241 ( -7.006 1.566 -1.940) 7.436 6.512 ( 7.018 0.934 2.112) 7.388 6.564 ( -1.800 -5.598 -0.789) 5.933 6.671 ( 3.541 -0.012 0.761) 3.622 7.659 ( -10.603 -5.405 -1.060) 11.948 7.838 ( 3.047 8.876 0.248) 9.387 8.081 ( 11.465 0.717 1.724) 11.616 8.448 ( -0.684 0.158 1.871) 1.998 8.667 ( -2.838 -6.591 -0.033) 7.176 8.977 ( 4.379 1.564 0.785) 4.716 9.083 ( 7.001 4.178 -4.838) 9.480 9.173 ( 2.361 -5.009 0.661) 5.577 9.590 ( 0.081 -6.497 2.341) 6.906 9.827 ( 0.686 9.414 -10.807) 14.349 9.966 ( -6.207 2.370 1.279) 6.766 10.080 ( -4.376 -2.158 -0.933) 4.968 10.318 ( -3.844 3.765 0.927) 5.460 10.513 ( 9.645 -0.075 -2.097) 9.870 11.040 ( 0.960 4.129 7.142) 8.305 11.308 ( -7.769 -6.279 2.004) 10.188 11.758 ( 0.455 3.522 0.927) 3.670 11.770 ( -1.007 -5.095 0.660) 5.236 12.351 ( -2.911 -4.359 -4.959) 7.215 12.442 ( 4.965 9.997 5.289) 12.352 12.656 ( -17.964 -4.322 0.574) 18.486 12.844 ( 7.920 -5.313 0.577) 9.555 13.219 ( 16.270 13.629 -1.533) 21.280 13.460 ( 9.636 -16.221 -1.470) 18.924 13.839 ( -2.826 2.973 -2.771) 4.950 14.050 ( -5.179 0.187 -2.261) 5.654 14.220 ( 7.091 1.449 4.527) 8.537 14.366 ( -1.486 -4.289 -1.230) 4.703 15.600 ( 9.138 7.139 -6.539) 13.313 15.810 ( -7.529 -5.056 3.590) 9.754 16.259 ( 0.550 -0.026 6.566) 6.589 16.507 ( 1.833 5.934 2.233) 6.600 17.290 ( -5.801 -9.025 -13.743) 17.435 17.900 ( 5.359 5.467 15.748) 17.510 18.449 ( -5.189 -5.995 -5.944) 9.910 18.824 ( -12.888 11.177 1.676) 17.142 19.351 ( -4.216 3.167 -3.996) 6.616 19.814 ( 10.019 -9.030 2.922) 13.800 20.046 ( -8.562 4.720 -0.479) 9.789 20.395 ( -2.921 -2.218 -4.344) 5.686 21.044 ( -11.725 -2.824 7.229) 14.061 21.245 ( 6.528 5.580 -2.705) 9.004 21.664 ( 4.774 -4.263 6.764) 9.312 22.005 ( -2.660 -1.182 -2.997) 4.178 22.379 ( 1.630 1.184 -2.765) 3.421 22.892 ( 11.750 -0.093 -1.720) 11.876 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -19.936 1.285 -14.861) 24.899 1.972 ( -1.199 -8.209 6.198) 10.355 2.386 ( -5.319 -2.790 -0.815) 6.061 2.470 ( 4.415 7.732 -1.228) 8.988 2.963 ( -4.261 6.295 3.599) 8.410 3.037 ( 2.083 4.556 6.194) 7.966 3.165 ( 1.340 -5.878 -2.709) 6.610 3.527 ( -3.094 -9.603 7.345) 12.480 3.613 ( -3.680 -0.803 0.171) 3.770 3.748 ( -22.130 7.004 8.969) 24.884 4.017 ( -7.542 -0.165 -7.505) 10.641 4.170 ( 2.566 0.562 2.887) 3.903 4.290 ( -3.461 0.681 -0.546) 3.569 4.625 ( -4.546 -5.149 1.396) 7.009 4.753 ( 8.077 -2.910 -4.905) 9.887 4.961 ( -0.733 5.579 1.808) 5.910 5.059 ( -0.970 -3.333 -8.983) 9.630 5.207 ( 0.017 4.529 3.050) 5.460 5.411 ( 0.174 -1.172 -3.075) 3.296 5.452 ( 3.375 -1.585 -3.084) 4.839 5.546 ( 2.554 2.443 2.791) 4.503 5.678 ( 0.385 2.359 -2.571) 3.511 5.791 ( 5.191 -2.187 -0.838) 5.695 5.886 ( 6.393 -0.850 4.591) 7.916 6.102 ( -3.744 -3.496 -1.170) 5.254 6.175 ( 0.269 -2.819 1.059) 3.024 6.465 ( -6.968 1.820 0.574) 7.225 6.655 ( 5.289 0.625 -1.249) 5.470 6.769 ( 6.694 1.457 3.958) 7.912 7.472 ( -4.034 -3.045 -1.471) 5.264 7.880 ( -2.587 0.293 -1.493) 3.002 8.311 ( 11.111 2.884 -2.855) 11.829 8.468 ( -3.528 0.635 7.960) 8.730 8.586 ( 0.592 0.956 -1.042) 1.533 9.106 ( 2.618 4.459 10.406) 11.620 9.166 ( 6.625 -4.828 -4.946) 9.575 9.286 ( 7.451 3.114 -3.015) 8.620 9.535 ( -0.784 -3.417 -1.684) 3.890 9.750 ( -7.024 1.809 0.904) 7.309 9.892 ( -8.281 6.654 -1.652) 10.751 10.002 ( 0.706 -3.955 -6.728) 7.836 10.260 ( -1.295 -2.913 -6.907) 7.608 10.738 ( 14.108 0.614 -0.255) 14.123 11.152 ( 3.804 -2.491 -3.749) 5.893 11.191 ( -1.773 3.880 15.538) 16.113 11.687 ( -5.301 -2.174 4.518) 7.297 11.796 ( 1.755 1.221 -2.269) 3.118 12.243 ( -20.951 -0.932 1.383) 21.017 12.254 ( -1.578 -5.359 -2.494) 6.118 12.688 ( 7.370 8.759 3.576) 11.992 12.991 ( 10.510 -4.291 -1.126) 11.408 13.518 ( 12.190 -6.833 -0.098) 13.975 13.619 ( 12.862 4.634 2.203) 13.847 13.771 ( -4.386 4.111 -5.639) 8.243 13.939 ( -6.697 0.476 -0.845) 6.766 14.322 ( 2.145 -2.086 -2.477) 3.885 14.380 ( 7.467 0.355 5.477) 9.267 15.633 ( -8.782 -3.836 3.994) 10.382 15.845 ( 12.496 8.009 -6.356) 16.147 16.348 ( 6.754 0.082 5.489) 8.703 16.612 ( 4.964 -1.100 -7.951) 9.438 17.024 ( -10.176 -4.689 2.055) 11.391 18.072 ( 2.648 1.462 14.119) 14.439 18.217 ( -6.863 -4.495 -20.879) 22.433 18.616 ( -13.858 -3.551 7.703) 16.248 19.394 ( -4.947 17.065 1.154) 17.805 19.635 ( -16.451 -11.774 5.097) 20.863 20.045 ( 0.099 1.782 -4.107) 4.478 20.315 ( -2.471 5.551 -4.278) 7.431 20.787 ( -18.149 -2.429 10.425) 21.070 21.433 ( 10.369 0.674 -2.873) 10.781 21.724 ( 9.013 -7.207 -2.502) 11.808 21.984 ( 2.713 -2.055 1.672) 3.792 22.438 ( 1.062 5.543 0.744) 5.693 23.138 ( 15.626 0.275 -3.567) 16.030 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.733 11.872 -0.642) 11.912 1.802 ( -19.780 12.394 4.933) 23.857 2.259 ( -4.125 8.723 -7.294) 12.096 2.725 ( -0.140 -7.726 -4.236) 8.812 2.808 ( 0.990 3.402 6.925) 7.779 3.115 ( 6.035 -5.720 1.280) 8.413 3.223 ( -9.128 11.028 11.239) 18.201 3.338 ( -1.737 -0.101 5.462) 5.732 3.416 ( -3.158 0.813 1.869) 3.758 3.700 ( -6.051 4.124 3.425) 8.084 4.037 ( -0.676 7.371 -2.112) 7.697 4.128 ( -12.364 7.558 2.875) 14.774 4.288 ( -1.495 5.031 0.458) 5.269 4.532 ( 4.632 -1.753 -5.913) 7.713 4.783 ( 1.220 -4.676 0.946) 4.924 4.981 ( 1.531 12.796 -2.171) 13.069 5.075 ( -6.756 6.606 -11.276) 14.712 5.134 ( 4.011 -6.576 3.106) 8.305 5.342 ( -1.384 0.236 0.002) 1.404 5.473 ( -1.624 0.557 2.800) 3.284 5.542 ( 1.750 -1.687 -4.228) 4.877 5.747 ( 2.538 -1.802 -2.536) 4.015 5.798 ( 4.061 -4.996 -1.374) 6.583 5.990 ( -2.294 -2.782 2.691) 4.499 6.093 ( 4.921 4.109 1.062) 6.498 6.297 ( 4.298 -6.302 6.200) 9.830 6.304 ( -1.532 3.047 -5.680) 6.625 6.646 ( 3.476 -4.488 0.211) 5.681 6.939 ( 4.797 -9.581 4.022) 11.445 7.605 ( 2.844 2.693 -2.632) 4.719 7.680 ( 2.114 -2.288 -2.160) 3.790 7.994 ( -6.131 2.037 -5.998) 8.815 8.528 ( 3.278 -1.026 -1.694) 3.830 8.624 ( -11.852 -11.093 -0.098) 16.234 8.967 ( -10.445 -1.651 2.907) 10.967 9.201 ( 2.522 4.320 -1.375) 5.187 9.365 ( 4.185 -0.593 -4.730) 6.343 9.612 ( 2.324 -0.229 2.382) 3.336 9.628 ( -1.776 -0.253 1.794) 2.537 9.873 ( 0.742 6.866 -3.338) 7.670 10.144 ( 0.331 1.582 9.238) 9.378 10.304 ( 7.210 1.894 -12.209) 14.305 10.964 ( 5.794 -10.741 -2.500) 12.457 11.194 ( 2.654 0.326 -1.892) 3.275 11.334 ( 0.317 -4.899 11.198) 12.227 11.518 ( 2.889 -7.175 7.068) 10.478 11.705 ( -4.447 6.321 -4.029) 8.716 12.009 ( -7.966 4.390 -1.932) 9.298 12.203 ( 3.398 7.513 -1.035) 8.310 12.641 ( -5.556 -2.152 3.516) 6.918 13.212 ( 8.518 -7.038 1.940) 11.218 13.632 ( 2.730 -3.303 -5.163) 6.710 13.721 ( 0.528 0.975 -1.434) 1.812 13.863 ( 1.855 -3.283 3.093) 4.877 14.036 ( -4.033 -5.399 2.717) 7.266 14.254 ( 6.106 -9.467 -2.535) 11.547 14.622 ( 3.635 -5.873 3.626) 7.800 14.950 ( -9.291 7.614 -12.174) 17.102 16.204 ( 8.889 5.762 0.253) 10.596 16.556 ( 7.873 -13.223 11.430) 19.170 16.750 ( 9.022 -8.512 6.320) 13.921 17.354 ( -6.703 12.193 -1.165) 13.963 17.513 ( 3.896 -5.568 -16.072) 17.450 18.501 ( -4.394 -7.347 10.165) 13.290 18.550 ( 9.871 20.776 -2.370) 23.123 18.993 ( -20.465 9.144 5.353) 23.045 19.316 ( -14.979 7.720 -1.428) 16.912 19.789 ( -5.550 18.402 -3.587) 19.553 20.006 ( -19.770 5.765 -2.100) 20.700 21.388 ( 5.899 -4.843 13.782) 15.754 21.589 ( 14.476 -3.706 10.293) 18.145 21.801 ( 11.601 -9.767 -2.949) 15.449 22.125 ( 7.106 1.367 -6.435) 9.684 22.342 ( -11.112 -5.225 -0.936) 12.315 23.320 ( 9.914 -11.987 -5.407) 16.468 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -18.458 13.382 3.115) 23.010 1.648 ( 12.073 9.279 0.647) 15.241 2.260 ( -4.446 12.817 -3.517) 14.014 2.608 ( -2.609 -1.944 -8.965) 9.537 2.928 ( 3.772 0.497 8.691) 9.487 3.144 ( -1.175 2.057 3.066) 3.875 3.261 ( 6.873 -1.565 7.948) 10.623 3.369 ( -2.740 -3.388 4.773) 6.463 3.425 ( 1.426 3.254 -0.881) 3.661 3.730 ( -3.409 17.437 10.802) 20.794 3.954 ( -13.699 9.541 1.034) 16.726 4.093 ( -1.432 3.310 -1.338) 3.847 4.337 ( -1.447 8.173 -1.837) 8.501 4.556 ( 2.247 -0.782 -3.572) 4.292 4.735 ( -1.051 -3.669 -0.028) 3.817 5.009 ( -0.721 11.062 -17.956) 21.102 5.068 ( 2.006 -6.736 1.905) 7.282 5.173 ( -1.173 1.989 2.109) 3.127 5.288 ( -3.697 -1.058 4.538) 5.948 5.489 ( -0.006 3.135 1.262) 3.380 5.566 ( 6.023 -2.867 -5.413) 8.591 5.711 ( -0.208 -4.028 -5.559) 6.869 5.790 ( -0.109 -2.966 -1.098) 3.165 5.980 ( 0.070 0.373 3.688) 3.708 6.167 ( -3.557 1.411 3.718) 5.335 6.283 ( -3.630 9.954 -2.579) 10.904 6.341 ( 8.968 -12.686 3.458) 15.916 6.655 ( 2.202 -2.636 -2.465) 4.228 6.922 ( 5.023 -13.964 5.339) 15.771 7.566 ( 0.560 -4.010 -0.255) 4.057 7.779 ( -0.478 4.641 -8.794) 9.955 7.935 ( -0.074 3.957 -2.274) 4.564 8.520 ( 7.051 1.370 0.434) 7.196 8.573 ( 3.188 -2.762 -0.498) 4.247 8.833 ( -2.831 -0.323 6.770) 7.345 9.219 ( -3.630 -0.420 -1.286) 3.873 9.266 ( -2.936 -4.542 -0.405) 5.424 9.597 ( -2.317 -1.937 -4.244) 5.210 9.751 ( 5.638 4.890 2.497) 7.870 9.933 ( -0.066 1.225 -4.264) 4.437 10.094 ( -9.099 1.284 4.718) 10.330 10.344 ( 2.811 -2.822 -6.543) 7.660 10.882 ( 1.692 -12.398 -3.077) 12.885 11.222 ( -0.856 2.384 -2.562) 3.603 11.406 ( 5.139 -1.673 9.735) 11.135 11.467 ( -0.729 -8.759 8.027) 11.903 11.730 ( 0.280 8.921 -2.658) 9.313 11.970 ( -2.871 5.689 -3.814) 7.427 12.314 ( 0.916 7.496 -2.268) 7.884 12.680 ( 6.787 1.530 6.425) 9.470 13.217 ( 2.273 -10.798 0.022) 11.035 13.608 ( 0.248 0.823 -4.015) 4.106 13.701 ( -12.786 0.754 -2.057) 12.972 13.790 ( 6.090 -14.155 1.246) 15.459 13.904 ( 1.805 -8.533 5.476) 10.298 14.312 ( 6.001 -3.420 -0.910) 6.967 14.610 ( 0.672 -5.212 3.044) 6.073 14.937 ( -0.986 9.738 -7.916) 12.588 16.337 ( 2.514 -6.400 -1.919) 7.139 16.571 ( 8.112 -7.015 4.590) 11.666 16.866 ( 3.793 -0.949 7.615) 8.560 17.093 ( -9.775 -8.568 -6.367) 14.474 17.738 ( 10.050 10.919 -7.252) 16.517 18.280 ( -17.520 -1.124 1.445) 17.615 18.699 ( -9.717 -4.848 8.323) 13.683 18.969 ( 10.347 22.715 -0.655) 24.970 19.318 ( -4.155 16.124 1.378) 16.707 19.770 ( -14.700 16.095 -6.294) 22.688 20.008 ( 6.383 18.577 1.632) 19.711 21.325 ( -5.763 -14.272 11.270) 19.076 21.787 ( 6.957 -7.212 6.931) 12.184 21.881 ( 8.592 -8.298 -0.078) 11.945 22.044 ( -11.331 -4.820 -2.162) 12.502 22.266 ( 7.250 0.163 -4.794) 8.693 23.293 ( 5.169 -15.064 -4.989) 16.690 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -11.661 10.499 -6.186) 16.866 1.994 ( 12.899 4.309 4.546) 14.339 2.350 ( -2.494 16.875 0.273) 17.060 2.533 ( -3.646 4.256 -4.521) 7.201 2.987 ( 3.745 -5.121 1.189) 6.455 3.149 ( -2.392 -2.022 4.118) 5.174 3.288 ( -1.137 -3.553 6.852) 7.802 3.380 ( 3.120 -4.890 -2.879) 6.476 3.541 ( 7.056 10.084 0.452) 12.316 3.834 ( -7.451 9.174 -0.771) 11.844 3.972 ( -2.480 14.696 11.226) 18.659 4.124 ( 2.328 9.555 5.229) 11.138 4.383 ( -2.403 8.918 0.738) 9.266 4.568 ( 1.250 -0.329 -3.665) 3.886 4.698 ( 1.962 -3.459 -3.695) 5.428 5.015 ( -1.894 -2.523 -2.088) 3.783 5.075 ( -1.434 4.994 -0.929) 5.278 5.126 ( 1.224 0.671 -7.274) 7.406 5.229 ( -0.990 -4.301 1.905) 4.807 5.539 ( 1.409 -0.679 -0.245) 1.583 5.570 ( 0.229 -6.266 -2.816) 6.873 5.646 ( -1.009 -1.023 -1.933) 2.408 5.760 ( -0.215 -2.367 0.147) 2.381 5.978 ( -0.816 1.175 -4.241) 4.475 6.094 ( -3.473 -3.516 4.093) 6.417 6.248 ( 1.608 -7.393 1.762) 7.768 6.458 ( 1.248 8.936 0.769) 9.056 6.650 ( 0.548 -0.661 -3.623) 3.723 6.889 ( 2.146 -9.188 4.564) 10.481 7.553 ( -1.065 -2.166 -0.321) 2.435 7.711 ( -1.579 1.951 -0.064) 2.511 8.017 ( 3.655 4.429 -9.004) 10.679 8.517 ( -3.217 0.032 -0.042) 3.218 8.748 ( 4.535 0.162 3.830) 5.938 8.930 ( 9.740 -1.826 2.589) 10.243 9.143 ( 2.924 -0.880 5.865) 6.612 9.288 ( 3.378 3.216 -8.417) 9.623 9.486 ( -1.580 -5.857 -0.439) 6.083 9.744 ( -11.076 -7.633 1.257) 13.510 9.841 ( -1.734 -0.157 -0.746) 1.894 9.997 ( -4.674 4.133 -5.078) 8.045 10.356 ( 0.826 2.118 2.542) 3.410 10.777 ( 1.771 -13.018 -0.575) 13.151 11.173 ( -2.531 -1.204 -5.203) 5.910 11.376 ( -0.794 -6.738 10.204) 12.254 11.618 ( 7.726 6.421 4.068) 10.838 11.788 ( -5.351 8.556 -2.089) 10.305 12.036 ( 6.892 7.001 -1.357) 9.918 12.356 ( -3.014 7.279 -4.862) 9.258 12.788 ( 0.134 -6.246 2.783) 6.839 13.135 ( 1.212 -7.468 0.237) 7.570 13.472 ( -3.310 -9.739 -0.216) 10.288 13.627 ( 1.564 0.778 -2.095) 2.728 13.774 ( 2.201 -8.857 1.065) 9.189 13.890 ( 0.405 -2.693 5.362) 6.014 14.331 ( -1.071 -0.701 -2.312) 2.643 14.585 ( 0.940 -5.056 3.499) 6.220 14.996 ( 2.379 6.800 -8.836) 11.401 16.224 ( -1.355 -12.166 1.062) 12.287 16.640 ( 2.162 -6.127 2.299) 6.892 16.855 ( -6.602 -3.152 -0.873) 7.368 16.969 ( 2.437 3.797 5.313) 6.970 17.824 ( -10.818 8.780 -13.483) 19.388 18.111 ( 5.685 2.368 -0.477) 6.177 18.654 ( 3.560 -5.229 12.751) 14.234 19.288 ( -3.348 18.060 7.374) 19.793 19.477 ( 7.506 13.895 -6.043) 16.909 19.782 ( -0.094 18.296 -7.570) 19.801 20.283 ( 0.502 11.456 1.636) 11.583 21.121 ( -4.081 -7.706 13.245) 15.857 21.684 ( -5.365 -11.379 1.107) 12.629 21.827 ( -3.730 -5.434 -10.779) 12.634 21.993 ( 4.698 -5.250 12.179) 14.070 22.335 ( 2.761 -0.338 -5.042) 5.759 23.161 ( -0.035 -14.916 -4.397) 15.550 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.361 9.983 -8.428) 13.070 2.182 ( 2.814 1.466 2.793) 4.227 2.426 ( -4.012 6.901 1.794) 8.182 2.561 ( -1.377 10.488 2.456) 10.859 3.012 ( 4.972 -3.462 0.652) 6.093 3.113 ( 0.330 -1.970 3.326) 3.879 3.239 ( -4.175 -4.027 0.701) 5.843 3.328 ( 2.393 -5.533 -5.717) 8.307 3.753 ( 0.892 8.484 -2.190) 8.807 3.792 ( -2.300 3.790 -0.233) 4.439 4.096 ( 5.518 7.407 1.271) 9.324 4.389 ( -0.668 5.849 2.025) 6.226 4.455 ( 5.874 11.250 13.899) 18.822 4.581 ( -0.997 -0.031 0.983) 1.400 4.671 ( 1.356 -2.033 -7.294) 7.692 4.945 ( -5.309 3.597 1.619) 6.614 5.021 ( -1.122 -3.857 2.833) 4.915 5.161 ( 4.845 -6.239 1.911) 8.128 5.269 ( 2.604 8.766 -10.019) 13.565 5.463 ( -2.252 -6.368 -2.503) 7.203 5.481 ( -3.933 -3.818 2.284) 5.938 5.639 ( 1.766 -1.132 0.135) 2.102 5.723 ( -3.044 1.290 -2.019) 3.874 5.971 ( 2.615 -0.615 -8.481) 8.896 6.050 ( 2.573 -4.272 0.959) 5.078 6.224 ( 0.011 -5.162 6.814) 8.549 6.517 ( -1.359 3.255 -0.962) 3.656 6.624 ( -1.829 0.285 -2.980) 3.508 6.831 ( -4.910 -1.640 2.768) 5.870 7.523 ( 0.311 3.087 0.487) 3.140 7.763 ( 4.029 -0.361 -4.006) 5.693 8.058 ( 1.001 1.417 -4.085) 4.438 8.483 ( -2.015 2.813 -1.999) 3.996 8.737 ( -4.201 1.039 4.581) 6.302 9.001 ( 4.475 -10.892 -1.012) 11.818 9.179 ( -4.613 -1.342 -1.986) 5.198 9.314 ( -1.396 -8.247 1.118) 8.439 9.484 ( 3.392 4.668 -2.037) 6.120 9.569 ( 3.788 -5.412 4.180) 7.817 9.864 ( 1.175 5.838 1.955) 6.268 9.964 ( 0.466 5.133 -2.434) 5.700 10.404 ( -0.545 2.812 1.742) 3.353 10.660 ( -1.120 -11.612 0.898) 11.700 11.097 ( -2.084 -0.937 -3.466) 4.151 11.385 ( 3.131 -2.444 6.081) 7.263 11.752 ( -5.056 6.837 -1.570) 8.647 11.781 ( 3.105 0.857 -0.969) 3.364 12.251 ( 5.748 2.142 0.778) 6.183 12.380 ( -0.876 19.329 -4.735) 19.919 12.627 ( -4.369 -10.362 0.277) 11.249 13.050 ( -4.726 -7.446 -0.633) 8.842 13.325 ( 1.489 -19.751 0.310) 19.810 13.605 ( -3.759 -3.165 -0.586) 4.948 13.759 ( 1.743 1.285 1.579) 2.680 13.925 ( 1.917 1.782 4.741) 5.415 14.264 ( -4.656 2.020 -4.408) 6.722 14.536 ( -2.106 -6.510 3.169) 7.540 15.111 ( 7.986 5.255 -8.498) 12.790 16.088 ( -1.809 -9.350 1.199) 9.599 16.549 ( -5.338 -5.778 2.160) 8.158 16.733 ( -8.840 2.837 7.050) 11.658 17.101 ( 7.248 -0.400 4.508) 8.545 17.714 ( -3.455 13.520 -19.044) 23.609 18.306 ( 10.249 0.046 5.844) 11.798 18.788 ( 12.237 -4.822 5.303) 14.182 19.322 ( -10.575 10.929 4.798) 15.947 19.713 ( 5.560 10.184 -5.396) 12.796 20.025 ( 9.789 8.924 -4.946) 14.139 20.218 ( -11.047 6.261 4.148) 13.358 21.239 ( 8.318 4.320 11.149) 14.565 21.495 ( -3.292 -11.332 5.964) 13.222 21.598 ( -10.007 -5.262 -12.974) 17.209 22.058 ( 4.461 -4.427 4.529) 7.746 22.322 ( -2.362 0.528 -2.154) 3.240 22.973 ( -3.706 -11.081 -2.950) 12.051 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 8.324 5.640 -6.984) 12.243 2.169 ( -7.414 6.648 5.534) 11.393 2.452 ( 0.471 -3.185 9.511) 10.042 2.620 ( -0.872 6.057 -6.338) 8.810 3.053 ( 0.266 -2.124 -6.713) 7.046 3.110 ( -1.652 -1.775 1.586) 2.898 3.189 ( 4.363 -0.615 6.131) 7.550 3.313 ( 3.815 -4.221 -2.124) 6.073 3.687 ( -6.400 3.909 -2.700) 7.970 3.875 ( 3.462 0.114 -1.248) 3.682 4.283 ( 5.785 5.366 -3.813) 8.763 4.379 ( -0.835 1.064 0.328) 1.392 4.443 ( -4.869 -7.687 1.071) 9.162 4.632 ( -4.761 0.454 -2.665) 5.475 4.736 ( 2.857 2.268 12.342) 12.870 4.944 ( 2.099 3.185 -0.276) 3.825 5.043 ( 5.423 -0.539 2.925) 6.185 5.199 ( -1.965 3.610 -1.807) 4.490 5.296 ( 0.639 -1.762 1.119) 2.182 5.403 ( 0.743 0.679 1.298) 1.642 5.456 ( 1.111 3.859 -2.870) 4.936 5.621 ( -6.527 0.988 -3.381) 7.416 5.699 ( 2.096 1.051 0.513) 2.400 5.957 ( 0.674 -3.012 -6.667) 7.347 6.115 ( 6.278 -1.075 -3.379) 7.210 6.197 ( 0.976 -3.976 10.059) 10.860 6.496 ( -0.594 -3.885 -0.659) 3.985 6.569 ( -3.589 1.874 -2.443) 4.729 6.714 ( -6.521 -0.375 0.890) 6.592 7.656 ( 6.005 9.969 0.800) 11.665 7.775 ( 4.181 -4.586 -6.668) 9.109 8.018 ( -6.007 -2.690 2.234) 6.951 8.466 ( -2.429 2.274 -3.838) 5.079 8.691 ( -1.749 -1.425 2.170) 3.130 8.938 ( 0.725 -6.622 0.061) 6.662 9.051 ( -4.602 1.411 -2.355) 5.359 9.209 ( 0.611 -7.980 4.951) 9.411 9.532 ( -1.595 -3.695 -5.235) 6.604 9.674 ( 7.126 4.876 3.106) 9.177 9.974 ( 2.684 6.987 3.047) 8.082 10.128 ( 5.508 7.788 1.663) 9.683 10.398 ( -1.857 0.541 -0.520) 2.003 10.515 ( -3.844 -7.222 0.153) 8.183 11.060 ( -1.349 0.926 -0.291) 1.662 11.458 ( 3.338 -2.862 5.761) 7.247 11.698 ( -1.994 -8.623 -10.031) 13.377 11.764 ( -1.521 7.269 0.222) 7.430 12.326 ( -0.993 6.473 4.351) 7.862 12.496 ( 1.278 -3.072 -2.581) 4.211 12.690 ( 9.252 15.956 -1.018) 18.472 12.814 ( -10.507 -5.271 -1.164) 11.813 13.156 ( 6.079 -24.054 -0.588) 24.817 13.411 ( -14.776 -2.452 0.322) 14.981 13.834 ( 2.539 2.867 0.951) 3.946 14.023 ( 3.819 1.589 5.938) 7.237 14.197 ( -4.138 5.298 -6.429) 9.302 14.427 ( -2.345 -7.294 1.930) 7.901 15.289 ( 9.403 3.863 -5.216) 11.426 15.979 ( -2.349 -5.748 0.757) 6.255 16.392 ( -6.953 -4.548 4.012) 9.227 16.657 ( -9.091 8.790 4.119) 13.299 17.221 ( 8.490 -7.955 0.545) 11.647 17.799 ( 1.657 17.050 -11.845) 20.827 18.457 ( 5.026 -8.181 10.737) 14.404 19.003 ( 18.012 -7.035 -6.043) 20.260 19.252 ( -11.611 17.085 3.608) 20.969 19.726 ( -4.650 -7.850 -2.822) 9.550 20.130 ( 2.752 9.525 3.617) 10.554 20.343 ( 5.257 5.506 0.540) 7.632 21.276 ( -6.992 -8.004 -6.095) 12.252 21.329 ( -6.404 0.832 -1.613) 6.656 21.525 ( 5.188 -1.286 10.744) 12.000 22.113 ( 7.458 -4.443 -8.907) 12.437 22.263 ( -5.795 3.530 5.814) 8.936 22.808 ( -4.136 -4.572 -0.758) 6.211 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 9.445 -2.607 -0.115) 9.799 2.195 ( -3.390 9.394 2.379) 10.267 2.358 ( -9.039 3.400 -4.362) 10.597 2.690 ( 7.483 -2.699 5.198) 9.503 2.917 ( -6.679 -3.861 -5.901) 9.712 3.083 ( 0.898 -7.867 3.084) 8.497 3.228 ( -3.755 4.790 -0.120) 6.088 3.440 ( 11.667 -0.945 -0.721) 11.728 3.609 ( -4.738 0.983 0.952) 4.932 3.935 ( 4.437 0.945 -0.329) 4.548 4.250 ( -2.858 -8.579 -0.036) 9.043 4.320 ( -4.618 -1.443 0.618) 4.877 4.465 ( 2.612 1.311 -2.496) 3.843 4.498 ( -6.936 4.453 1.290) 8.343 4.810 ( 5.060 -3.080 1.744) 6.175 4.958 ( -2.995 -0.545 -1.311) 3.314 5.112 ( -7.153 5.623 -0.578) 9.117 5.218 ( 4.767 2.911 0.630) 5.621 5.369 ( 6.513 -0.102 1.261) 6.635 5.392 ( -2.971 -3.221 -0.202) 4.387 5.529 ( 0.088 3.402 -5.060) 6.097 5.554 ( 2.415 4.978 -0.245) 5.538 5.674 ( -3.414 -5.362 7.845) 10.097 5.900 ( -2.617 -1.089 -5.450) 6.143 6.127 ( 0.817 -2.545 2.240) 3.488 6.350 ( 10.442 -1.418 -0.156) 10.539 6.375 ( -6.548 -0.609 0.177) 6.579 6.560 ( -0.025 3.168 -0.983) 3.317 6.647 ( -0.601 -0.811 0.666) 1.209 7.788 ( 3.955 -1.901 -2.669) 5.136 7.809 ( -9.020 -6.579 3.333) 11.651 7.929 ( 8.901 8.532 -0.963) 12.367 8.442 ( 1.521 1.321 1.366) 2.434 8.647 ( -1.190 -5.016 -1.527) 5.377 8.947 ( 2.031 3.377 0.814) 4.024 9.023 ( 0.403 0.682 -4.453) 4.522 9.204 ( -1.610 2.896 8.198) 8.842 9.461 ( 3.362 -7.104 -4.339) 8.978 9.832 ( 2.868 6.385 -1.729) 7.210 10.043 ( -2.696 1.182 2.127) 3.631 10.219 ( -2.179 1.638 0.142) 2.730 10.366 ( 0.172 -2.372 -0.496) 2.430 10.430 ( -2.625 3.406 0.351) 4.314 11.054 ( 0.395 -0.226 -1.317) 1.393 11.413 ( -5.422 -4.029 4.329) 8.024 11.586 ( 3.626 -8.329 -3.931) 9.899 11.859 ( 2.495 6.648 0.647) 7.130 12.314 ( -4.497 -0.742 0.053) 4.558 12.585 ( 8.433 1.826 -2.487) 8.979 12.594 ( -5.035 -1.085 2.654) 5.794 13.038 ( -11.456 6.514 0.254) 13.180 13.058 ( 9.206 -20.099 -0.332) 22.109 13.134 ( 4.712 11.630 -0.157) 12.549 13.890 ( -0.047 2.152 -0.137) 2.157 14.099 ( 0.472 -1.560 3.871) 4.200 14.181 ( 0.048 5.032 -4.869) 7.003 14.344 ( -0.804 -4.069 1.219) 4.324 15.466 ( 8.985 1.222 -0.095) 9.068 15.891 ( -4.150 -0.464 -1.158) 4.334 16.273 ( -3.351 -3.783 5.926) 7.788 16.613 ( -5.255 6.442 -6.998) 10.867 17.225 ( 0.720 -6.239 2.481) 6.753 17.979 ( 2.964 12.213 1.643) 12.674 18.368 ( -2.077 -14.679 -2.559) 15.045 19.105 ( -6.043 -1.662 1.283) 6.397 19.387 ( 7.956 11.129 -0.283) 13.683 19.572 ( 1.938 -3.122 -0.285) 3.686 20.291 ( -10.477 1.356 0.011) 10.564 20.330 ( 6.617 -0.729 0.135) 6.659 21.167 ( 1.746 1.877 -2.389) 3.504 21.233 ( -5.920 -0.358 2.533) 6.449 21.547 ( 0.536 -8.042 -0.083) 8.060 22.067 ( -4.578 -2.903 -0.349) 5.432 22.352 ( 6.099 6.835 0.222) 9.163 22.756 ( 1.259 0.885 -0.020) 1.539 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 8.934 -5.889 6.432) 12.485 1.991 ( -15.866 2.119 -14.666) 21.710 2.441 ( 3.219 12.419 -0.634) 12.845 2.641 ( -12.639 -2.904 3.189) 13.354 2.938 ( 12.559 0.281 3.620) 13.074 3.007 ( 0.253 -8.909 0.463) 8.925 3.180 ( -5.863 2.849 -1.243) 6.636 3.509 ( -0.896 -2.438 -0.140) 2.601 3.628 ( 2.623 1.064 4.288) 5.138 4.060 ( 4.880 5.225 -4.516) 8.456 4.087 ( -5.958 -7.569 0.559) 9.649 4.195 ( -7.094 -2.460 5.536) 9.329 4.399 ( -8.286 7.075 3.881) 11.566 4.575 ( 5.264 -0.392 -2.251) 5.739 4.790 ( -8.769 0.886 1.030) 8.874 4.946 ( 5.225 -1.700 3.574) 6.555 5.016 ( -3.009 -2.621 -9.297) 10.117 5.194 ( -2.221 -0.521 -2.120) 3.115 5.422 ( 0.951 0.761 0.005) 1.218 5.431 ( -2.153 -0.731 -3.775) 4.406 5.499 ( 5.994 0.854 0.929) 6.125 5.655 ( 3.200 1.233 -0.911) 3.548 5.722 ( 3.223 1.136 7.957) 8.660 5.766 ( -2.054 -6.651 -5.599) 8.933 6.135 ( 0.509 -1.602 5.414) 5.669 6.210 ( -6.873 -1.260 -1.782) 7.212 6.507 ( 4.813 -3.183 -2.155) 6.160 6.605 ( -0.514 3.434 0.929) 3.595 6.699 ( 5.553 4.818 0.864) 7.403 7.566 ( -9.899 -3.748 1.702) 10.721 7.861 ( 4.150 -3.583 1.055) 5.584 8.114 ( 7.999 1.835 -5.556) 9.910 8.550 ( -0.578 -0.257 5.002) 5.042 8.609 ( 2.673 6.051 -0.908) 6.677 9.033 ( 4.964 2.908 -5.796) 8.166 9.065 ( 5.113 2.837 2.523) 6.368 9.257 ( -0.607 4.305 5.075) 6.683 9.478 ( 5.183 -4.499 2.428) 7.279 9.863 ( -3.508 0.577 -3.650) 5.095 9.934 ( -5.017 -1.486 -4.499) 6.900 10.133 ( -9.291 4.444 -0.501) 10.311 10.291 ( -5.082 -5.768 -1.417) 7.817 10.514 ( 8.831 0.987 1.034) 8.946 11.054 ( 2.586 -1.877 -6.463) 7.209 11.332 ( -4.110 -0.361 12.483) 13.147 11.588 ( 5.764 -5.459 -2.333) 8.275 11.923 ( -3.807 4.408 4.051) 7.095 12.194 ( -3.750 -5.197 -4.031) 7.570 12.593 ( -7.093 3.657 -2.887) 8.486 12.704 ( 5.417 -5.117 0.662) 7.481 12.790 ( -5.370 11.261 3.721) 13.019 13.126 ( 16.766 -14.052 0.770) 21.890 13.514 ( 11.574 12.452 1.718) 17.087 13.867 ( -3.474 3.347 -3.572) 6.003 14.053 ( -4.931 0.976 0.311) 5.036 14.227 ( 4.229 -2.297 -4.286) 6.444 14.347 ( 1.173 1.888 5.366) 5.808 15.629 ( 8.627 -5.030 10.687) 14.626 15.802 ( -5.764 5.551 -10.961) 13.572 16.275 ( 3.064 -0.997 7.282) 7.963 16.492 ( -2.108 -6.483 -18.424) 19.645 17.211 ( -4.952 5.368 14.327) 16.081 18.119 ( 1.179 2.155 -12.363) 12.604 18.144 ( -3.427 -9.581 5.457) 11.546 18.833 ( -13.808 -9.400 5.139) 17.477 19.593 ( 0.128 14.373 -4.372) 15.024 19.720 ( 5.016 -2.380 5.492) 7.809 20.029 ( -6.194 -0.576 -6.183) 8.771 20.440 ( -0.721 5.794 0.901) 5.908 21.079 ( -12.015 -2.262 11.687) 16.913 21.276 ( 5.583 -0.656 -5.330) 7.747 21.466 ( 5.478 -7.943 -7.188) 12.032 21.974 ( -2.435 -3.648 6.252) 7.637 22.506 ( 1.104 9.406 -1.031) 9.527 22.874 ( 10.898 0.339 -2.448) 11.175 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -3.137 4.392 -8.685) 10.225 2.202 ( -11.133 8.375 1.076) 13.973 2.439 ( -1.784 10.534 0.185) 10.685 2.665 ( -1.623 -2.259 3.063) 4.137 2.797 ( 3.581 0.867 -0.023) 3.685 2.975 ( 1.856 -7.548 5.269) 9.391 3.300 ( -0.625 -2.051 -1.531) 2.635 3.429 ( 2.009 1.004 -1.115) 2.507 3.546 ( -12.318 -3.809 4.465) 13.645 3.882 ( 0.218 12.049 1.653) 12.164 4.089 ( -1.839 1.902 -1.307) 2.951 4.315 ( -1.778 -3.481 5.038) 6.376 4.431 ( -1.753 4.802 1.719) 5.393 4.547 ( -6.690 10.439 -0.041) 12.399 4.698 ( 1.648 -1.711 4.257) 4.875 5.022 ( 2.578 -4.488 4.155) 6.637 5.087 ( -1.196 8.476 -3.328) 9.184 5.206 ( -2.357 3.898 -8.624) 9.753 5.284 ( 7.228 0.479 -0.862) 7.295 5.459 ( 1.056 -2.761 -2.086) 3.617 5.527 ( 0.456 0.979 -0.647) 1.259 5.554 ( 4.177 -8.397 -0.492) 9.392 5.743 ( -1.314 -2.698 -0.867) 3.124 5.867 ( 10.928 -0.331 -0.703) 10.956 6.027 ( -1.771 -1.436 -0.704) 2.386 6.341 ( -3.595 5.157 7.292) 9.627 6.398 ( 0.810 0.000 -2.968) 3.076 6.543 ( 1.681 -2.940 0.808) 3.481 6.861 ( -2.630 -4.611 1.078) 5.417 7.555 ( 5.941 4.324 -2.347) 7.714 7.668 ( -5.181 -4.142 -0.691) 6.669 8.092 ( -3.804 2.733 -2.144) 5.152 8.508 ( -3.209 -1.686 -0.377) 3.644 8.745 ( -11.705 -9.599 1.523) 15.214 9.100 ( 3.206 6.573 -7.687) 10.610 9.187 ( 3.704 -4.711 -3.467) 6.923 9.244 ( -8.245 -4.836 6.864) 11.767 9.398 ( 9.326 -4.249 -2.497) 10.548 9.806 ( -0.822 5.731 2.256) 6.213 9.948 ( -4.657 8.251 -3.109) 9.972 10.010 ( 7.749 0.239 -5.072) 9.265 10.309 ( 1.578 4.061 2.472) 5.009 10.721 ( 8.819 -8.260 -1.248) 12.147 11.120 ( 5.897 2.594 -1.452) 6.604 11.379 ( -0.254 -4.171 14.800) 15.378 11.459 ( -4.496 -5.627 2.037) 7.485 11.838 ( -5.173 5.144 -6.195) 9.571 12.163 ( 0.183 2.467 5.402) 5.942 12.324 ( -10.255 13.826 -3.062) 17.484 12.681 ( -3.313 -6.347 -2.154) 7.477 12.975 ( 8.616 -7.757 2.913) 11.953 13.368 ( 13.412 -10.411 -3.004) 17.243 13.666 ( 0.754 -5.679 -2.114) 6.106 13.903 ( -3.775 3.548 -2.648) 5.819 14.092 ( 2.034 -2.414 1.816) 3.642 14.146 ( -5.865 -1.670 -1.692) 6.328 14.504 ( 4.306 -5.893 3.420) 8.060 15.138 ( -9.015 6.405 -10.997) 15.595 16.066 ( 8.093 -0.159 -2.329) 8.423 16.406 ( 3.550 -7.105 14.622) 16.640 16.614 ( 8.371 3.655 13.613) 16.393 17.326 ( -2.557 -13.651 -16.473) 21.546 17.594 ( -3.489 16.966 -5.842) 18.280 18.508 ( 1.593 -6.772 15.911) 17.365 18.545 ( 9.788 17.243 -5.749) 20.645 19.484 ( -24.185 0.298 2.288) 24.295 19.610 ( -7.126 9.802 -0.173) 12.120 19.963 ( -2.738 6.850 -3.896) 8.343 20.360 ( -14.177 2.528 -2.725) 14.656 21.250 ( 9.143 -4.431 1.562) 10.280 21.389 ( 12.062 1.749 12.137) 17.200 21.521 ( 6.502 -6.967 3.092) 10.018 21.962 ( 7.467 -1.645 -3.923) 8.594 22.507 ( -11.460 -1.245 -3.072) 11.930 23.016 ( 8.452 -9.265 -4.647) 13.374 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 8.454 6.356 -4.889) 11.652 2.027 ( -17.838 8.891 -4.154) 20.359 2.489 ( -6.103 8.328 1.918) 10.502 2.545 ( 0.294 -1.139 -4.199) 4.361 2.938 ( -0.327 -0.526 4.309) 4.354 3.027 ( 12.642 -1.000 5.817) 13.952 3.284 ( -8.356 -5.270 4.225) 10.745 3.383 ( 2.221 6.621 -3.411) 7.772 3.459 ( -1.252 -1.431 4.302) 4.703 3.982 ( -3.218 13.206 0.450) 13.600 4.061 ( 0.715 -1.774 -2.196) 2.912 4.352 ( -0.529 4.045 8.185) 9.146 4.404 ( -6.665 5.110 5.407) 9.988 4.549 ( -3.400 8.100 -1.498) 8.911 4.720 ( 1.166 -3.187 0.854) 3.499 4.963 ( -1.680 -4.954 2.095) 5.635 5.123 ( -2.089 7.913 -13.296) 15.613 5.202 ( -0.556 3.290 -0.516) 3.376 5.349 ( -3.189 -3.479 1.575) 4.975 5.394 ( 1.910 -5.920 -7.295) 9.587 5.496 ( 3.556 3.114 -3.173) 5.693 5.658 ( -0.713 -4.450 -4.093) 6.088 5.711 ( 8.253 -1.138 4.904) 9.667 5.989 ( -0.633 -0.923 5.576) 5.687 6.059 ( 8.657 -2.468 -3.242) 9.569 6.295 ( -6.010 -2.245 6.864) 9.395 6.443 ( 0.160 8.508 -2.021) 8.746 6.566 ( 3.391 -1.563 0.099) 3.736 6.759 ( 0.237 -9.469 0.706) 9.499 7.562 ( -3.197 -0.209 -0.146) 3.207 7.728 ( 7.439 7.135 -5.046) 11.477 8.022 ( -5.660 0.041 0.538) 5.685 8.396 ( 0.205 -3.864 -3.016) 4.906 8.627 ( -1.557 3.036 6.412) 7.264 8.976 ( -9.887 0.366 1.310) 9.980 9.167 ( 0.802 -5.161 0.006) 5.223 9.219 ( 2.459 -7.907 -1.712) 8.456 9.486 ( 5.377 -5.608 -2.864) 8.280 9.878 ( -2.401 13.101 2.708) 13.592 9.940 ( -2.934 1.434 -1.345) 3.532 10.106 ( 7.913 -3.422 -6.392) 10.732 10.329 ( -4.179 3.747 -0.969) 5.696 10.711 ( 2.820 -11.777 -2.599) 12.385 11.230 ( 2.397 3.763 -5.229) 6.873 11.396 ( 1.703 -11.509 16.384) 20.095 11.409 ( 0.446 5.223 6.196) 8.116 11.805 ( -1.349 6.364 -6.163) 8.961 12.134 ( -7.751 8.608 -0.363) 11.589 12.387 ( -0.749 11.068 -0.828) 11.124 12.587 ( 2.634 -5.489 2.154) 6.458 13.022 ( 6.222 -11.488 -0.200) 13.066 13.501 ( 11.264 -6.601 1.627) 13.157 13.550 ( -0.269 -15.019 -1.517) 15.098 13.880 ( -3.093 1.875 2.478) 4.384 13.942 ( -9.513 -1.585 -5.524) 11.114 14.164 ( 5.535 1.530 -0.804) 5.798 14.523 ( 3.383 -6.824 3.865) 8.541 15.085 ( -5.389 10.670 -4.840) 12.896 16.184 ( 5.892 -6.411 -0.844) 8.748 16.379 ( 5.389 -7.894 6.116) 11.348 16.887 ( 3.927 7.580 14.444) 16.778 17.041 ( -3.906 -12.863 -15.936) 20.849 17.756 ( 2.808 18.253 -10.249) 21.121 18.480 ( -3.994 -5.534 16.003) 17.398 18.948 ( 13.800 19.673 -4.325) 24.417 18.964 ( -25.079 -6.832 -1.735) 26.051 19.635 ( -8.302 13.719 4.005) 16.529 20.003 ( -2.002 3.791 -1.141) 4.436 20.193 ( -7.800 15.801 -3.467) 17.960 21.265 ( 0.847 -11.268 1.527) 11.402 21.574 ( 8.288 -6.814 -1.541) 10.840 21.664 ( 11.002 -4.498 15.333) 19.400 22.103 ( 9.290 2.936 -6.689) 11.818 22.229 ( -14.448 -4.541 -1.753) 15.246 23.023 ( 6.680 -11.882 -4.408) 14.326 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -6.089 3.489 -6.240) 9.391 1.892 ( 1.850 9.352 3.083) 10.019 2.497 ( 4.926 -0.841 -0.578) 5.031 2.603 ( -3.069 14.339 -3.796) 15.147 2.896 ( -1.234 -2.669 -3.789) 4.796 3.129 ( -2.296 -6.027 3.785) 7.478 3.253 ( 7.473 -1.798 3.761) 8.557 3.392 ( -5.939 -3.257 8.170) 10.612 3.524 ( 5.505 9.766 -2.175) 11.419 4.028 ( -0.907 4.698 -6.739) 8.265 4.072 ( -3.089 4.640 2.666) 6.179 4.339 ( -7.140 6.419 12.543) 15.795 4.479 ( 3.895 6.797 2.298) 8.164 4.573 ( -1.254 3.586 -0.841) 3.891 4.664 ( -3.673 -1.132 -0.403) 3.865 4.931 ( 2.951 -3.769 0.539) 4.817 5.118 ( -1.933 -0.210 -7.799) 8.038 5.174 ( -3.610 4.131 -0.782) 5.542 5.235 ( -2.856 -1.210 0.346) 3.121 5.364 ( 4.931 -5.194 -9.294) 11.733 5.563 ( 0.635 -4.067 -3.361) 5.314 5.625 ( 2.098 0.185 -1.564) 2.623 5.765 ( -2.466 0.517 2.825) 3.785 6.000 ( -0.990 -0.186 -2.543) 2.735 6.087 ( 1.050 -6.714 1.074) 6.880 6.195 ( -2.182 -4.459 9.685) 10.883 6.518 ( 0.506 3.720 -0.859) 3.852 6.612 ( 1.560 1.127 -3.345) 3.859 6.773 ( 7.528 0.016 1.972) 7.782 7.544 ( -1.221 2.410 -0.279) 2.716 7.796 ( -4.020 -0.700 0.732) 4.146 7.979 ( 1.957 2.834 -2.405) 4.201 8.524 ( 12.091 1.818 -0.007) 12.227 8.651 ( -4.004 4.655 2.451) 6.611 8.906 ( 0.024 3.208 3.397) 4.672 9.073 ( -0.205 -12.482 1.287) 12.550 9.215 ( 3.955 0.302 1.339) 4.187 9.445 ( -1.372 -4.003 -4.426) 6.123 9.834 ( -5.805 -6.144 -1.451) 8.576 9.945 ( -5.232 7.811 0.447) 9.412 10.098 ( -3.831 -1.692 -2.940) 5.117 10.319 ( 2.342 2.690 -1.831) 4.009 10.618 ( 1.976 -11.044 -0.766) 11.245 11.195 ( -3.102 -0.901 -7.201) 7.892 11.374 ( -0.924 -6.507 12.874) 14.455 11.589 ( 6.274 8.953 5.178) 12.097 11.898 ( 5.535 6.310 -1.490) 8.525 12.068 ( -7.854 7.481 -2.922) 11.233 12.464 ( -1.580 10.899 -4.174) 11.777 12.647 ( 6.343 -8.374 2.518) 10.803 13.003 ( 4.101 -6.915 -0.017) 8.039 13.358 ( 0.808 -20.408 0.500) 20.430 13.615 ( 3.619 -1.519 4.027) 5.623 13.757 ( -6.387 2.565 -2.606) 7.360 13.891 ( -0.564 0.837 2.610) 2.798 14.287 ( 5.320 2.036 -3.105) 6.488 14.517 ( 2.094 -6.395 3.798) 7.727 15.076 ( -4.718 7.928 -2.129) 9.468 16.122 ( -0.261 -10.068 1.109) 10.132 16.502 ( 8.283 -3.160 3.470) 9.520 16.811 ( -0.580 -7.041 -15.878) 17.379 17.036 ( -0.173 4.747 8.880) 10.071 17.936 ( 3.041 12.999 -8.023) 15.575 18.312 ( -19.937 3.426 0.204) 20.230 18.598 ( -3.102 -12.528 12.037) 17.648 19.364 ( 12.810 16.739 -5.172) 21.704 19.641 ( -6.946 10.413 6.875) 14.281 19.946 ( -4.147 7.664 -6.885) 11.105 20.357 ( 3.170 11.243 2.725) 11.995 21.136 ( -2.407 -7.783 2.192) 8.436 21.554 ( 1.875 -11.400 -5.383) 12.746 21.854 ( 6.243 -2.977 8.115) 10.663 21.938 ( -9.671 -5.138 1.597) 11.067 22.256 ( 5.947 3.399 -3.614) 7.745 22.977 ( 3.450 -10.919 -3.010) 11.840 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -8.573 9.790 -4.977) 13.933 2.071 ( 7.527 -2.177 5.895) 9.806 2.606 ( 0.361 3.559 1.402) 3.842 2.645 ( -1.071 7.900 -3.413) 8.672 2.881 ( 4.293 1.357 -6.851) 8.198 3.076 ( 2.492 -6.427 0.488) 6.911 3.265 ( -2.855 -3.842 2.554) 5.426 3.293 ( -5.425 -1.830 4.346) 7.188 3.723 ( 5.763 6.761 -0.614) 8.905 3.985 ( -9.070 2.251 -2.902) 9.786 4.073 ( 3.844 3.893 -0.395) 5.485 4.375 ( 3.237 -0.948 5.326) 6.304 4.518 ( -4.993 1.247 -1.973) 5.511 4.594 ( 0.668 -2.358 -5.266) 5.808 4.697 ( 2.654 7.695 10.790) 13.516 4.978 ( 2.256 -1.240 -0.357) 2.599 5.026 ( 0.319 -1.449 -1.622) 2.198 5.096 ( -4.553 -2.571 3.525) 6.306 5.304 ( 1.591 11.357 -7.251) 13.568 5.380 ( 4.041 -2.743 -2.000) 5.278 5.461 ( -0.995 -7.584 -0.762) 7.686 5.635 ( -0.562 0.485 -1.044) 1.281 5.737 ( -0.947 -0.131 0.702) 1.186 5.953 ( -2.090 1.675 -9.458) 9.831 5.986 ( -2.190 -6.356 3.040) 7.378 6.220 ( 0.945 -2.041 8.235) 8.536 6.514 ( -0.612 -2.193 -1.017) 2.494 6.631 ( 0.598 1.478 -2.854) 3.269 6.928 ( 1.739 5.801 0.064) 6.056 7.522 ( -1.102 -0.504 -0.889) 1.502 7.729 ( -1.388 -1.274 0.633) 1.987 8.046 ( 1.790 3.535 -0.293) 3.973 8.588 ( -4.702 5.312 2.285) 7.453 8.733 ( 7.556 -5.604 -0.311) 9.412 8.895 ( -3.616 -2.285 3.342) 5.428 9.095 ( 7.071 -4.685 3.753) 9.275 9.293 ( -0.810 4.639 -8.578) 9.786 9.451 ( 7.956 1.868 3.632) 8.943 9.590 ( -11.424 -7.539 3.899) 14.232 9.912 ( -0.977 3.335 1.046) 3.629 10.030 ( -2.958 3.959 -3.135) 5.853 10.384 ( 2.889 -0.378 -1.948) 3.505 10.552 ( 1.149 -8.260 1.199) 8.425 11.110 ( -2.134 0.325 -6.191) 6.556 11.354 ( 0.378 -3.711 7.842) 8.684 11.748 ( 1.564 2.149 -1.140) 2.892 11.969 ( -8.786 9.514 -0.246) 12.953 12.094 ( 9.912 -1.718 -0.905) 10.100 12.556 ( -1.087 16.669 -4.733) 17.362 12.601 ( 0.328 -8.010 0.036) 8.017 12.973 ( -0.259 -11.053 1.405) 11.145 13.207 ( -1.168 -9.899 0.318) 9.973 13.623 ( -1.580 -0.330 1.218) 2.022 13.746 ( 1.605 0.879 1.980) 2.696 13.914 ( 1.242 -0.497 4.729) 4.915 14.331 ( -1.086 3.035 -3.740) 4.938 14.499 ( 0.607 -5.511 2.349) 6.021 15.082 ( -0.892 5.457 -0.888) 5.600 16.026 ( -0.738 -5.942 -1.868) 6.272 16.563 ( 0.045 -2.923 3.412) 4.493 16.758 ( 5.421 -2.263 -6.578) 8.819 17.093 ( -0.728 2.081 4.026) 4.590 17.940 ( -15.237 12.111 -11.763) 22.742 18.147 ( 6.600 0.787 0.426) 6.661 18.578 ( 5.581 -10.427 9.954) 15.458 19.607 ( 1.380 2.362 -1.209) 2.991 19.680 ( -1.757 10.854 3.063) 11.414 20.013 ( 3.118 10.793 -4.278) 12.021 20.405 ( -4.410 -1.545 4.589) 6.549 21.160 ( 6.817 4.283 1.917) 8.276 21.393 ( -1.673 -13.730 -3.856) 14.359 21.706 ( -9.345 0.958 -8.697) 12.802 21.962 ( 3.588 -6.081 6.907) 9.877 22.354 ( 1.780 3.081 2.193) 4.180 22.911 ( -0.142 -5.404 -0.797) 5.465 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -2.766 11.428 -3.703) 12.327 2.174 ( 8.402 -8.155 7.889) 14.119 2.543 ( -7.225 1.363 2.394) 7.733 2.696 ( -1.732 2.678 -4.556) 5.562 2.960 ( 4.042 -1.975 -0.540) 4.531 3.102 ( 3.103 1.257 -2.297) 4.060 3.165 ( -4.554 -0.977 -7.321) 8.677 3.218 ( 1.330 -4.208 7.167) 8.417 3.751 ( -2.636 -6.623 0.636) 7.156 3.911 ( -2.426 8.616 -3.343) 9.554 4.201 ( 6.427 0.741 -2.033) 6.782 4.363 ( -1.070 -9.419 -2.486) 9.800 4.466 ( -3.752 1.242 0.904) 4.054 4.598 ( 5.415 2.204 -3.589) 6.860 4.790 ( 2.824 -3.887 7.538) 8.939 4.890 ( -3.778 -7.637 -0.515) 8.536 5.044 ( -1.147 5.198 -0.848) 5.390 5.145 ( 5.377 1.955 3.467) 6.690 5.374 ( -0.893 4.420 -1.802) 4.856 5.422 ( 0.571 2.814 3.726) 4.704 5.483 ( 1.887 5.517 3.012) 6.563 5.636 ( 0.758 1.258 -1.587) 2.162 5.729 ( -0.786 0.228 -1.767) 1.947 5.881 ( -2.378 0.129 -9.893) 10.175 5.959 ( 5.249 -1.799 -1.827) 5.841 6.219 ( -1.138 -3.932 7.092) 8.189 6.479 ( -0.618 -0.178 -1.007) 1.194 6.629 ( -1.726 1.827 -1.725) 3.049 6.872 ( -9.234 -1.713 0.812) 9.427 7.567 ( 6.691 -0.581 -4.168) 7.904 7.710 ( 0.804 1.689 -1.176) 2.210 8.090 ( -1.879 0.832 5.436) 5.811 8.572 ( -5.336 4.979 -1.147) 7.388 8.709 ( -1.207 -9.497 1.804) 9.742 8.878 ( 0.209 3.798 2.217) 4.403 9.072 ( 2.077 -11.507 2.058) 11.873 9.183 ( -9.027 1.602 -1.476) 9.286 9.543 ( 2.328 -2.563 8.812) 9.468 9.611 ( 4.734 9.018 -5.936) 11.789 10.029 ( 4.731 5.245 1.505) 7.222 10.082 ( 4.239 6.193 3.210) 8.163 10.383 ( 1.657 -4.415 -3.355) 5.788 10.499 ( -1.513 -1.371 1.266) 2.402 11.068 ( -0.655 0.449 -6.385) 6.434 11.394 ( 3.560 -2.116 7.266) 8.363 11.647 ( -5.791 -7.495 -8.765) 12.905 11.909 ( -6.236 6.225 -0.131) 8.812 12.234 ( 10.059 -5.452 -0.851) 11.473 12.533 ( -4.163 2.228 4.093) 6.249 12.767 ( 3.890 17.856 -4.442) 18.807 12.820 ( -0.034 -15.351 0.866) 15.375 13.039 ( -10.527 -1.092 -0.545) 10.597 13.570 ( -5.077 -0.353 0.388) 5.104 13.811 ( 2.947 0.859 3.185) 4.424 13.971 ( 4.448 -2.145 5.416) 7.329 14.314 ( -3.941 6.028 -4.655) 8.575 14.417 ( -3.568 -6.280 1.013) 7.293 15.168 ( 5.602 2.946 0.842) 6.385 15.965 ( -0.864 -1.074 -3.052) 3.349 16.492 ( -6.101 -1.349 2.307) 6.660 16.855 ( 1.590 3.968 3.478) 5.510 17.066 ( -0.089 -4.022 -0.633) 4.072 17.844 ( -1.249 11.581 -15.619) 19.484 18.326 ( 8.916 -3.344 6.224) 11.376 18.632 ( 10.789 -9.320 2.424) 14.462 19.581 ( -6.806 6.531 3.925) 10.217 19.694 ( -0.922 -7.677 -2.556) 8.143 20.123 ( 0.455 2.811 2.631) 3.877 20.380 ( 1.119 2.941 1.629) 3.543 21.201 ( -0.141 -13.276 -4.331) 13.965 21.391 ( 5.294 7.414 0.287) 9.114 21.540 ( -6.285 3.388 -5.587) 9.066 21.957 ( 2.135 -3.327 -3.467) 5.258 22.388 ( -2.469 0.273 7.283) 7.695 22.869 ( -3.239 3.136 1.503) 4.752 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.578 5.742 1.288) 5.913 2.329 ( 11.350 -1.510 9.216) 14.699 2.423 ( -5.883 -5.104 3.353) 8.480 2.605 ( -5.510 2.088 -11.678) 13.081 2.903 ( -3.676 -4.429 -4.420) 7.257 3.056 ( -3.191 -7.124 2.870) 8.317 3.222 ( 9.650 0.598 3.188) 10.180 3.293 ( 3.596 4.130 -4.304) 6.965 3.646 ( -1.205 -7.846 3.894) 8.842 3.952 ( -1.752 8.678 -1.854) 9.045 4.168 ( -0.482 -11.244 -4.122) 11.985 4.346 ( 7.201 -2.950 -3.739) 8.634 4.380 ( -4.588 -1.515 -2.460) 5.422 4.679 ( 1.006 2.179 1.697) 2.939 4.725 ( -5.981 -2.821 2.071) 6.930 4.873 ( 7.187 -5.081 -3.089) 9.328 5.153 ( 5.581 6.689 2.904) 9.182 5.266 ( 5.441 1.355 0.759) 5.658 5.336 ( -7.582 3.802 3.008) 8.999 5.451 ( -3.241 0.852 5.560) 6.492 5.566 ( -1.844 3.462 -3.087) 4.992 5.612 ( -4.049 2.108 -0.719) 4.621 5.675 ( -0.963 -3.315 -0.839) 3.552 5.848 ( 2.709 -0.799 -5.313) 6.017 6.097 ( 7.219 2.856 -4.536) 8.991 6.202 ( 1.880 -2.534 6.167) 6.928 6.469 ( -3.122 1.074 1.884) 3.802 6.608 ( -1.978 3.349 -1.024) 4.022 6.683 ( -5.663 -3.793 -0.174) 6.819 7.611 ( 5.710 -5.627 -3.333) 8.682 7.866 ( 7.817 9.090 0.648) 12.006 7.994 ( -10.673 -3.421 6.504) 12.959 8.467 ( -3.844 -1.437 3.593) 5.455 8.603 ( -1.480 -4.930 -5.286) 7.378 8.973 ( 2.362 3.990 0.061) 4.637 9.020 ( 0.617 0.767 2.124) 2.341 9.184 ( 4.282 1.541 4.667) 6.519 9.475 ( -7.451 1.064 -1.500) 7.675 9.806 ( 6.852 5.757 -0.801) 8.985 10.106 ( 2.744 -6.095 -0.622) 6.713 10.161 ( -3.604 1.958 5.031) 6.491 10.414 ( 4.914 -2.254 -0.996) 5.497 10.502 ( -3.386 11.440 0.342) 11.935 11.027 ( -0.501 -2.154 -6.547) 6.910 11.396 ( -2.629 -6.819 -7.660) 10.587 11.488 ( 1.728 -4.833 7.678) 9.235 11.892 ( -0.693 4.161 -1.988) 4.664 12.333 ( 7.249 -7.784 1.273) 10.712 12.478 ( -6.638 3.436 2.404) 7.852 12.678 ( 5.222 -18.243 -1.487) 19.034 12.817 ( -7.557 6.589 -0.948) 10.071 13.119 ( 5.782 21.920 -0.858) 22.686 13.425 ( -12.964 2.823 1.566) 13.360 13.881 ( 2.701 0.405 2.462) 3.677 14.063 ( 4.935 -1.646 4.764) 7.054 14.214 ( -5.598 -2.643 -5.906) 8.556 14.355 ( -1.484 2.731 0.364) 3.129 15.317 ( 8.253 -1.428 4.362) 9.443 15.950 ( -1.570 4.573 -2.891) 5.634 16.368 ( -7.358 0.044 2.551) 7.788 16.739 ( -11.246 -3.506 -8.102) 14.297 17.169 ( 7.856 2.975 8.795) 12.162 17.934 ( 6.933 4.757 -17.714) 19.608 18.314 ( -3.994 -10.118 11.259) 15.655 18.884 ( 20.214 -0.310 -3.788) 20.568 19.441 ( -10.165 -12.861 8.294) 18.372 19.636 ( 1.213 6.913 -2.718) 7.527 20.156 ( 3.189 -6.805 0.755) 7.553 20.407 ( 0.229 -1.737 1.056) 2.046 21.106 ( 2.352 -1.330 -10.022) 10.380 21.379 ( -7.450 2.753 4.201) 8.985 21.533 ( -3.376 0.826 -1.931) 3.976 22.020 ( 7.113 3.070 -6.978) 10.427 22.352 ( -2.141 -1.828 7.435) 7.950 22.869 ( -5.316 9.203 2.702) 10.966 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.910 -0.901 9.249) 10.081 2.225 ( -12.064 1.594 -5.632) 13.409 2.497 ( -0.287 2.175 -10.040) 10.277 2.644 ( 17.262 -2.585 5.347) 18.256 2.775 ( -4.529 -1.653 -2.310) 5.346 2.933 ( -2.450 -8.390 3.498) 9.414 3.284 ( -3.631 0.462 -2.074) 4.207 3.453 ( 7.593 2.957 2.108) 8.417 3.601 ( 2.941 -5.190 6.801) 9.046 3.985 ( -0.430 -1.774 -7.174) 7.402 4.076 ( 1.971 -0.355 -0.383) 2.039 4.262 ( -3.597 -4.560 1.427) 5.981 4.442 ( 7.848 -2.187 -5.758) 9.977 4.630 ( -6.085 5.171 2.227) 8.291 4.736 ( 4.452 -4.107 3.357) 6.925 4.901 ( 2.159 -0.915 -5.251) 5.750 5.187 ( -15.326 2.247 -0.925) 15.517 5.286 ( -4.922 3.967 0.214) 6.325 5.302 ( 4.484 -8.134 0.996) 9.341 5.439 ( 2.082 4.330 2.226) 5.296 5.488 ( -1.610 0.510 0.415) 1.739 5.615 ( 1.087 -3.506 1.624) 4.014 5.674 ( 1.390 2.927 -2.504) 4.095 5.837 ( -3.861 1.301 -0.712) 4.136 6.123 ( -0.826 -3.024 4.777) 5.714 6.280 ( 3.466 -0.788 -2.728) 4.480 6.408 ( -3.183 0.010 2.617) 4.120 6.607 ( 2.025 -2.888 0.509) 3.563 6.692 ( 2.569 8.380 -2.073) 9.007 7.676 ( 6.983 -4.820 0.049) 8.485 7.754 ( -11.274 -4.136 6.127) 13.481 8.052 ( 3.196 4.929 -2.246) 6.289 8.514 ( 0.750 -4.211 -2.152) 4.788 8.581 ( 9.105 8.064 2.988) 12.525 9.008 ( 0.997 3.461 -4.402) 5.688 9.104 ( -1.561 7.993 2.179) 8.431 9.302 ( 4.357 -3.627 -2.617) 6.244 9.382 ( -2.310 4.874 7.872) 9.542 9.872 ( 0.114 -3.577 -0.297) 3.591 10.069 ( -8.145 -1.440 -0.283) 8.276 10.115 ( 5.980 -3.899 -1.663) 7.330 10.361 ( -7.583 -1.513 -0.374) 7.742 10.559 ( -4.718 8.159 -0.010) 9.424 10.964 ( 1.285 -2.112 -8.074) 8.444 11.342 ( 4.699 -2.816 -3.113) 6.301 11.484 ( -0.446 -5.536 10.669) 12.028 11.953 ( 3.077 4.050 -3.815) 6.358 12.244 ( -4.262 -10.126 4.621) 11.919 12.502 ( 2.439 2.858 -3.230) 4.955 12.676 ( 12.707 -10.939 -0.893) 16.791 12.800 ( -4.054 6.958 1.745) 8.239 13.196 ( -16.874 9.459 2.906) 19.562 13.476 ( 8.684 15.868 0.196) 18.090 13.917 ( -0.410 0.902 -1.098) 1.479 14.099 ( 0.097 -4.413 1.975) 4.835 14.135 ( 1.897 1.053 -3.761) 4.342 14.378 ( -0.195 3.595 1.034) 3.746 15.465 ( 9.088 -4.333 10.382) 14.462 15.936 ( -6.369 6.699 -7.551) 11.935 16.303 ( -2.960 0.667 8.430) 8.959 16.421 ( -8.110 -8.830 -17.793) 21.456 17.387 ( 2.203 9.622 16.819) 19.502 17.920 ( 3.009 -9.966 -21.495) 23.884 18.231 ( -2.948 -1.202 12.268) 12.674 18.936 ( -9.118 -13.072 -0.981) 15.968 19.426 ( 17.331 -0.464 -0.236) 17.339 19.742 ( 2.563 4.096 -0.018) 4.832 20.062 ( -2.381 -6.352 -0.901) 6.843 20.448 ( 4.280 0.853 1.004) 4.479 21.126 ( 4.467 -1.274 -13.059) 13.860 21.271 ( -7.901 -2.889 6.658) 10.728 21.435 ( -6.379 3.095 1.866) 7.332 22.042 ( -5.108 -0.905 2.301) 5.675 22.453 ( 10.351 3.271 -2.228) 11.082 22.882 ( -5.334 9.626 2.301) 11.243 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -10.234 3.843 -5.727) 12.341 2.301 ( 12.106 -4.569 9.884) 16.282 2.413 ( 1.215 6.437 -5.775) 8.733 2.781 ( -3.008 -8.094 -2.901) 9.109 2.824 ( -3.625 11.314 7.139) 13.861 2.898 ( 1.400 -1.662 3.819) 4.394 3.288 ( -1.629 -1.462 -7.723) 8.027 3.336 ( 4.909 -4.551 -1.230) 6.806 3.686 ( -3.990 -3.505 4.509) 6.967 3.921 ( 2.834 7.378 -4.334) 9.014 4.127 ( 0.107 -0.617 2.763) 2.833 4.355 ( -5.254 -5.172 6.592) 9.890 4.441 ( 9.771 -5.321 -4.384) 11.959 4.523 ( 2.112 6.750 0.529) 7.092 4.845 ( -3.920 2.449 2.483) 5.247 4.902 ( 8.409 -7.356 -1.175) 11.234 5.034 ( 5.677 2.474 3.809) 7.270 5.219 ( 0.580 1.887 -0.841) 2.146 5.288 ( -5.553 9.825 2.822) 11.633 5.490 ( -2.822 1.480 -1.984) 3.754 5.523 ( -4.186 0.999 -0.080) 4.305 5.567 ( -4.555 0.370 -0.629) 4.614 5.738 ( 4.691 3.473 2.742) 6.448 5.756 ( -2.781 -3.943 -2.125) 5.273 6.000 ( 1.964 -0.970 -4.876) 5.345 6.285 ( 5.609 -4.415 1.270) 7.250 6.488 ( -3.283 5.596 2.474) 6.943 6.547 ( -2.609 -0.045 0.515) 2.660 6.867 ( -1.665 -7.109 0.475) 7.317 7.490 ( 4.274 2.148 0.722) 4.838 7.734 ( -3.102 2.268 -2.629) 4.656 8.179 ( -4.084 2.803 0.907) 5.036 8.557 ( -4.030 -4.493 -0.537) 6.060 8.761 ( 2.822 -6.921 -0.301) 7.480 9.007 ( -1.642 0.300 -7.655) 7.835 9.163 ( 1.433 -4.274 -3.935) 5.984 9.227 ( -3.501 -2.184 -5.885) 7.188 9.416 ( -7.637 -1.510 6.625) 10.223 9.750 ( 8.955 5.350 -4.788) 11.478 9.984 ( -1.850 3.789 4.169) 5.930 10.159 ( -2.803 11.977 0.472) 12.310 10.268 ( 3.944 -2.921 3.387) 5.964 10.537 ( 1.225 -3.197 -1.558) 3.762 11.028 ( 6.973 3.483 -3.506) 8.546 11.355 ( -0.190 -9.222 11.192) 14.503 11.542 ( -2.380 2.956 -1.571) 4.108 11.907 ( -2.944 -2.505 -2.146) 4.421 12.169 ( 5.893 5.093 3.790) 8.662 12.609 ( -3.793 3.689 0.274) 5.298 12.717 ( -2.225 5.356 -1.124) 5.908 12.824 ( -2.302 -5.372 -0.460) 5.862 13.060 ( 0.147 -10.288 -2.306) 10.545 13.611 ( -1.329 -3.804 -2.426) 4.703 13.961 ( -0.530 1.886 -6.671) 6.953 14.040 ( 1.989 -3.076 1.757) 4.062 14.238 ( -4.282 1.765 0.761) 4.694 14.391 ( 2.436 -5.823 2.011) 6.624 15.298 ( -6.593 5.621 -10.130) 13.330 15.941 ( 3.319 -0.466 -1.543) 3.690 16.398 ( -3.356 -5.524 11.172) 12.908 16.636 ( 8.066 14.596 19.777) 25.870 17.159 ( -1.505 -15.061 -12.897) 19.885 17.774 ( -4.888 8.786 -6.647) 12.053 18.468 ( 5.701 0.816 13.087) 14.298 18.495 ( 8.773 8.631 -5.482) 13.473 19.635 ( 5.259 -1.716 -4.043) 6.852 19.782 ( -5.276 -3.822 -2.857) 7.113 20.098 ( -7.958 4.028 3.281) 9.504 20.483 ( -1.003 -2.281 -4.486) 5.132 21.019 ( 11.449 -7.051 2.629) 13.701 21.316 ( 2.418 8.935 5.965) 11.012 21.498 ( -2.813 -0.559 4.966) 5.735 21.849 ( 1.140 -0.960 -0.451) 1.557 22.602 ( -0.872 -4.153 -7.076) 8.251 22.901 ( -6.432 -0.520 -0.205) 6.457 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.781 7.459 -4.790) 8.899 2.306 ( -8.138 3.065 -1.987) 8.920 2.497 ( -7.405 -11.445 -1.396) 13.703 2.646 ( 7.465 5.095 -1.535) 9.168 2.875 ( 0.651 0.222 3.869) 3.929 2.960 ( 2.489 4.684 8.830) 10.300 3.304 ( 2.957 1.528 -2.259) 4.022 3.414 ( 4.476 1.174 -5.509) 7.194 3.530 ( -10.751 -1.756 6.557) 12.714 3.967 ( 2.038 -0.476 -6.680) 7.000 4.164 ( -0.405 6.386 4.563) 7.859 4.325 ( 1.617 -0.981 5.588) 5.899 4.490 ( 1.491 -0.963 -2.647) 3.187 4.584 ( 2.862 -2.737 0.109) 3.962 4.805 ( -6.192 1.687 6.842) 9.381 4.994 ( 8.571 -4.975 -2.515) 10.225 5.088 ( -5.049 5.274 -0.567) 7.323 5.226 ( 0.948 1.283 -4.110) 4.409 5.370 ( -1.728 5.004 0.257) 5.300 5.399 ( -4.557 -2.811 -1.219) 5.492 5.444 ( -0.341 0.505 -4.059) 4.104 5.602 ( 2.233 1.240 1.319) 2.874 5.639 ( 0.496 -1.182 2.305) 2.638 5.908 ( 6.875 1.658 -1.998) 7.349 6.020 ( 0.691 2.197 1.975) 3.033 6.340 ( 3.236 -2.007 -0.007) 3.808 6.459 ( -4.846 -1.811 4.867) 7.103 6.539 ( 2.188 3.558 -3.382) 5.375 6.724 ( -4.034 -8.263 0.180) 9.197 7.651 ( 7.622 5.745 0.630) 9.566 7.679 ( -5.844 6.862 -0.631) 9.035 8.095 ( -5.021 -5.001 -1.149) 7.179 8.409 ( -5.514 -2.623 -1.556) 6.301 8.683 ( -0.177 -1.361 3.374) 3.643 9.013 ( 3.782 -6.589 -4.557) 8.859 9.106 ( -3.778 -0.920 -6.842) 7.869 9.222 ( -1.219 -2.092 11.265) 11.522 9.332 ( 2.050 -0.378 -2.806) 3.496 9.912 ( 6.876 1.653 -9.678) 11.987 9.980 ( -3.339 3.849 3.517) 6.191 10.144 ( -7.820 8.967 0.481) 11.908 10.352 ( 3.981 -0.569 1.356) 4.244 10.540 ( 3.300 -7.730 -1.482) 8.535 11.161 ( 5.352 2.070 -8.329) 10.115 11.323 ( 2.471 -7.627 15.272) 17.249 11.539 ( -3.184 6.901 5.272) 9.250 11.834 ( -1.537 0.059 -7.866) 8.015 12.322 ( 0.322 7.159 6.301) 9.543 12.499 ( -4.736 -4.107 -3.331) 7.098 12.662 ( -10.657 16.038 -0.351) 19.259 12.796 ( 4.413 -10.533 0.651) 11.439 13.146 ( 19.622 -7.993 -0.269) 21.189 13.446 ( -6.177 -14.060 -1.887) 15.472 13.941 ( -0.980 2.707 -6.461) 7.073 14.010 ( -3.790 -3.373 6.496) 8.242 14.193 ( -2.524 4.807 -5.037) 7.406 14.398 ( 4.164 -6.600 3.801) 8.681 15.269 ( -4.570 10.585 -3.874) 12.163 16.011 ( 6.332 -3.180 -2.322) 7.457 16.298 ( -0.980 -7.435 9.159) 11.838 16.893 ( -1.474 -14.278 -6.838) 15.899 17.001 ( 1.771 13.278 9.748) 16.567 17.827 ( 2.749 12.360 -11.643) 17.201 18.501 ( 0.162 -7.445 13.060) 15.034 18.871 ( 14.170 17.138 -1.926) 22.321 19.346 ( -23.072 -2.803 -4.091) 23.599 19.745 ( 1.488 -6.331 -2.099) 6.834 20.127 ( -1.679 11.296 3.544) 11.957 20.398 ( -5.158 2.196 -2.889) 6.307 21.102 ( 5.369 -7.303 -0.468) 9.076 21.428 ( 2.505 0.904 -1.531) 3.072 21.533 ( 5.614 -4.697 12.303) 14.316 21.957 ( 8.455 5.020 -1.666) 9.973 22.421 ( -11.312 -3.776 -4.878) 12.885 22.821 ( 1.797 -6.233 -1.654) 6.694 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 6.449 7.262 3.385) 10.285 2.105 ( -12.166 4.254 -8.189) 15.270 2.332 ( 2.835 -9.897 0.116) 10.295 2.780 ( -0.959 12.026 -4.531) 12.888 2.890 ( 0.318 -4.050 3.222) 5.185 3.130 ( 7.255 2.228 4.958) 9.065 3.186 ( -9.521 -6.702 -0.741) 11.667 3.437 ( -0.842 -1.627 5.784) 6.067 3.540 ( 4.201 9.043 -2.671) 10.323 3.968 ( 1.159 -2.447 -1.526) 3.108 4.246 ( -2.415 10.059 0.142) 10.346 4.402 ( 3.588 -0.097 2.305) 4.266 4.464 ( -0.915 -3.140 3.397) 4.715 4.586 ( 5.865 -7.344 -7.843) 12.241 4.734 ( -7.342 3.678 7.109) 10.862 4.994 ( -7.138 0.012 2.835) 7.680 5.046 ( 3.640 -4.127 -6.044) 8.174 5.239 ( 2.276 0.965 -5.352) 5.895 5.262 ( -6.810 -0.832 1.890) 7.116 5.345 ( -3.793 4.781 1.497) 6.284 5.495 ( 0.541 -1.682 -5.234) 5.524 5.565 ( 3.983 1.445 -2.724) 5.037 5.811 ( 2.390 2.286 5.656) 6.552 5.940 ( 2.802 -2.665 -10.034) 10.753 6.060 ( -0.420 1.249 7.681) 7.793 6.266 ( -7.378 -5.450 6.080) 11.005 6.473 ( 5.625 -0.081 -0.335) 5.636 6.618 ( -1.106 -2.711 0.649) 2.999 6.643 ( 6.627 3.756 -2.703) 8.082 7.666 ( -4.882 8.798 0.076) 10.062 7.821 ( 0.723 0.960 1.065) 1.605 7.956 ( 1.146 -3.263 -0.327) 3.474 8.398 ( 4.036 4.012 0.367) 5.703 8.738 ( 2.238 1.720 2.122) 3.532 8.942 ( -0.330 -8.138 -0.601) 8.167 9.009 ( -5.664 2.509 -2.760) 6.782 9.185 ( 0.042 -2.528 7.344) 7.768 9.407 ( 2.588 1.575 -1.350) 3.317 9.863 ( -3.977 -4.477 -2.455) 6.472 10.026 ( 3.328 -2.045 -0.949) 4.020 10.119 ( -5.920 6.057 -0.766) 8.504 10.381 ( -2.459 3.615 -2.910) 5.252 10.471 ( 2.242 -8.629 -0.639) 8.938 11.169 ( 1.045 -3.044 -6.155) 6.945 11.380 ( 0.323 -3.098 10.229) 10.693 11.639 ( 1.553 9.839 5.741) 11.497 11.811 ( 3.816 -0.844 -5.365) 6.638 12.327 ( -9.800 9.857 -0.529) 13.910 12.417 ( 3.886 -7.218 -1.764) 8.386 12.713 ( -6.365 16.335 1.621) 17.606 12.835 ( 10.074 -3.416 0.179) 10.639 13.142 ( -3.936 -21.698 0.411) 22.056 13.440 ( 15.939 -2.966 2.938) 16.477 13.882 ( -5.183 -0.872 -3.498) 6.314 13.953 ( -3.276 2.265 3.697) 5.434 14.224 ( 2.621 5.434 -5.221) 7.979 14.417 ( 3.342 -6.363 4.093) 8.271 15.269 ( -6.620 8.901 1.113) 11.148 16.026 ( 2.325 -7.418 0.257) 7.778 16.352 ( 7.340 -0.773 5.887) 9.441 16.673 ( -1.891 -8.155 -17.561) 19.454 17.141 ( -1.992 4.122 10.815) 11.744 17.983 ( 3.822 13.955 -13.756) 19.965 18.443 ( -0.638 -14.012 17.057) 22.084 18.880 ( -26.849 3.897 -3.261) 27.326 19.262 ( 12.428 11.109 -3.126) 16.960 19.724 ( 4.580 -3.558 2.913) 6.491 20.107 ( -10.226 6.638 -3.330) 12.638 20.414 ( 2.066 2.264 1.272) 3.318 21.094 ( 0.846 -0.536 -1.592) 1.881 21.413 ( 0.561 -5.872 -6.935) 9.104 21.680 ( 10.548 -6.657 12.479) 17.643 22.118 ( -8.529 -0.739 -8.276) 11.907 22.184 ( 2.227 4.518 4.449) 6.720 22.813 ( 4.302 -4.843 -0.901) 6.540 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -4.348 2.511 9.475) 10.723 2.007 ( -2.164 1.941 -4.107) 5.031 2.402 ( 13.712 -2.765 -4.469) 14.684 2.795 ( -5.995 -1.151 -0.849) 6.163 2.873 ( 0.615 7.252 -5.464) 9.101 2.977 ( -3.017 -8.434 -1.615) 9.101 3.239 ( 2.279 -0.874 0.092) 2.443 3.431 ( -3.358 0.587 10.589) 11.125 3.708 ( 4.524 8.252 -2.208) 9.666 3.929 ( 0.728 -7.050 -1.141) 7.179 4.229 ( -7.872 5.878 -4.730) 10.903 4.325 ( -1.470 -8.429 1.244) 8.646 4.491 ( 2.357 -6.870 -6.332) 9.636 4.652 ( 4.791 1.838 1.318) 5.298 4.679 ( -3.610 2.984 7.061) 8.473 4.929 ( 0.692 -4.133 -1.059) 4.323 5.011 ( 1.135 -1.677 -2.258) 3.033 5.158 ( -5.172 -1.731 2.990) 6.220 5.307 ( 3.682 4.669 -3.153) 6.730 5.351 ( -0.884 3.804 -0.148) 3.908 5.472 ( -1.652 4.380 0.489) 4.707 5.622 ( 1.693 0.402 -1.217) 2.123 5.782 ( -2.735 -1.007 1.088) 3.111 5.940 ( 0.577 1.745 -10.552) 10.711 6.034 ( -6.414 -1.857 3.477) 7.529 6.195 ( 2.066 -4.139 9.263) 10.354 6.532 ( -0.565 1.453 0.828) 1.766 6.620 ( 1.231 2.195 -1.467) 2.913 6.814 ( 10.742 -1.005 -2.799) 11.146 7.622 ( -7.577 1.596 0.404) 7.754 7.739 ( -2.204 -3.082 0.279) 3.799 8.062 ( 3.054 6.088 2.254) 7.174 8.549 ( 6.340 -1.340 -2.245) 6.858 8.736 ( -1.729 0.515 1.967) 2.669 8.869 ( -1.406 -2.236 2.067) 3.353 9.040 ( 3.686 7.687 -0.600) 8.547 9.300 ( 10.366 1.410 6.876) 12.519 9.395 ( -5.903 2.355 0.773) 6.402 9.717 ( -7.775 -4.933 1.708) 9.365 9.962 ( -4.718 -6.201 -1.960) 8.035 10.068 ( 0.620 0.517 1.588) 1.782 10.352 ( -1.557 1.763 -6.746) 7.144 10.484 ( 2.313 0.817 0.875) 2.604 11.121 ( -1.311 0.416 -6.627) 6.768 11.348 ( -1.131 -5.262 6.241) 8.241 11.754 ( -0.039 2.930 -1.769) 3.422 11.890 ( 7.771 -3.818 -0.176) 8.660 12.236 ( -10.407 6.553 -0.761) 12.322 12.461 ( 7.289 -1.883 -0.638) 7.555 12.730 ( -3.125 6.502 -4.141) 8.318 12.897 ( -2.620 -5.518 3.755) 7.170 13.072 ( 9.613 0.383 1.420) 9.725 13.629 ( 5.315 -1.041 4.851) 7.271 13.769 ( -4.432 0.202 -1.482) 4.678 13.937 ( -1.961 -0.118 4.256) 4.688 14.320 ( 3.686 3.950 -4.538) 7.056 14.429 ( 2.687 -4.282 2.251) 5.534 15.229 ( -7.517 5.893 5.662) 11.104 15.985 ( 0.224 -3.388 -1.440) 3.688 16.504 ( 5.678 -1.249 0.043) 5.814 16.563 ( 5.630 -0.776 -14.668) 15.731 17.148 ( -2.078 -1.133 7.433) 7.801 18.070 ( -0.205 6.226 -8.222) 10.315 18.372 ( -5.733 -7.747 10.556) 14.294 18.486 ( -15.382 3.281 -2.189) 15.880 19.447 ( 7.821 -5.422 -3.803) 10.249 19.869 ( -0.553 5.634 7.254) 9.202 20.014 ( 2.252 4.697 -4.588) 6.941 20.404 ( -0.656 -8.560 3.292) 9.194 21.148 ( 0.840 7.408 -3.618) 8.287 21.277 ( -1.427 -9.106 -7.930) 12.159 21.830 ( 4.993 -2.461 0.865) 5.634 21.886 ( -8.162 -0.356 1.366) 8.283 22.335 ( 4.492 2.620 3.413) 6.220 22.870 ( 3.223 2.570 1.568) 4.410 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -5.202 8.752 7.360) 12.563 1.945 ( 3.150 -12.258 -0.222) 12.658 2.573 ( 4.296 -6.147 -9.130) 11.815 2.671 ( -0.575 -1.509 4.905) 5.164 2.898 ( 2.827 -3.593 1.694) 4.875 2.975 ( 6.113 5.289 -10.196) 13.011 3.202 ( -3.757 -1.305 -4.409) 5.938 3.373 ( -10.391 1.890 10.637) 14.990 3.733 ( -3.565 -6.882 -1.145) 7.834 3.920 ( 6.636 -1.329 -6.607) 9.457 4.131 ( -2.045 -0.842 3.168) 3.863 4.225 ( 0.316 -16.078 -2.138) 16.223 4.444 ( 5.886 -3.530 -6.532) 9.475 4.607 ( -7.078 5.070 -0.783) 8.742 4.745 ( 0.672 -5.691 8.143) 9.957 4.918 ( -1.576 4.366 -3.794) 5.995 5.032 ( 3.527 -2.954 -3.032) 5.510 5.116 ( 1.733 0.852 4.202) 4.625 5.389 ( 1.426 5.213 0.267) 5.411 5.458 ( 3.507 7.841 2.793) 9.032 5.530 ( 0.973 3.281 3.665) 5.014 5.647 ( 0.650 2.058 -0.487) 2.212 5.743 ( -2.260 0.443 0.998) 2.510 5.891 ( -0.527 1.777 -7.692) 7.912 5.953 ( -4.498 3.055 -3.005) 6.213 6.202 ( 0.274 -5.243 5.109) 7.326 6.526 ( -2.453 3.587 -0.145) 4.348 6.655 ( 0.364 2.383 -1.214) 2.699 6.889 ( 2.258 -8.707 -2.403) 9.311 7.516 ( -3.162 0.583 -0.481) 3.251 7.698 ( 0.452 -0.176 -1.234) 1.326 8.168 ( -0.482 5.470 6.322) 8.373 8.542 ( 3.296 -7.064 -1.464) 7.932 8.753 ( -2.487 1.520 0.971) 3.072 8.882 ( 0.839 2.061 3.087) 3.805 9.093 ( -7.066 -0.641 5.360) 8.892 9.348 ( -3.785 5.621 -2.229) 7.134 9.503 ( -1.897 -3.954 3.362) 5.526 9.583 ( 7.588 6.262 2.841) 10.240 9.903 ( 5.260 -4.438 1.151) 6.978 10.152 ( 3.085 6.101 6.124) 9.179 10.277 ( -0.998 -4.864 -8.719) 10.034 10.559 ( 0.128 8.671 1.388) 8.783 11.062 ( -2.493 0.901 -10.413) 10.745 11.345 ( 2.848 -3.620 7.330) 8.657 11.650 ( -5.906 -5.738 -7.922) 11.427 11.977 ( 5.528 -7.367 0.585) 9.229 12.098 ( -5.389 1.324 -1.145) 5.666 12.546 ( 1.273 -1.295 -1.455) 2.327 12.746 ( 3.062 -6.434 5.699) 9.124 12.890 ( -2.469 13.904 -3.688) 14.595 13.200 ( -1.623 9.761 0.192) 9.896 13.644 ( -3.414 1.655 1.242) 3.993 13.767 ( 3.236 -2.132 4.750) 6.130 13.917 ( -0.128 -3.306 4.212) 5.356 14.382 ( 1.071 2.960 -1.529) 3.500 14.415 ( -1.576 -1.288 -2.200) 2.997 15.197 ( -3.828 2.607 7.960) 9.209 15.971 ( 0.016 3.402 -4.215) 5.417 16.561 ( 2.846 0.749 -2.133) 3.635 16.683 ( 10.564 2.982 -9.596) 14.580 17.109 ( -3.994 -4.713 6.084) 8.671 18.052 ( -11.937 5.045 -7.385) 14.916 18.157 ( 1.707 0.145 1.774) 2.466 18.453 ( 4.126 -6.420 3.760) 8.508 19.455 ( 6.592 -12.337 -5.841) 15.158 19.778 ( -7.369 -4.537 4.533) 9.769 20.197 ( 0.712 3.654 7.878) 8.713 20.314 ( 3.306 -7.685 -0.682) 8.394 21.025 ( -0.241 -13.681 -8.648) 16.187 21.368 ( 6.577 12.831 -4.527) 15.113 21.705 ( -8.919 5.124 -7.488) 12.723 21.923 ( 0.775 0.009 3.435) 3.521 22.417 ( 1.544 -1.115 5.978) 6.274 22.981 ( 0.138 10.048 3.691) 10.706 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -7.059 5.968 1.951) 9.447 1.962 ( 15.479 -16.712 5.722) 23.487 2.415 ( -1.321 -9.799 -8.201) 12.847 2.722 ( -2.454 1.260 5.345) 6.014 2.926 ( 1.743 -0.447 -0.358) 1.834 3.046 ( -5.392 -4.597 -6.192) 9.410 3.150 ( 7.420 4.263 -4.580) 9.706 3.241 ( -5.301 0.088 3.343) 6.268 3.599 ( -0.981 -8.293 2.318) 8.666 3.984 ( -0.500 -21.715 -5.280) 22.353 4.000 ( 5.181 1.052 -5.458) 7.598 4.166 ( 4.067 -1.378 2.789) 5.121 4.451 ( -4.285 -5.793 -2.575) 7.652 4.596 ( 4.822 3.749 -3.755) 7.170 4.743 ( 1.442 -3.066 8.038) 8.723 4.877 ( -5.433 6.175 -1.518) 8.363 5.130 ( 5.966 4.412 -3.163) 8.066 5.184 ( 3.731 -0.846 1.691) 4.183 5.430 ( -0.640 -1.065 4.940) 5.094 5.553 ( 1.905 -3.476 -1.621) 4.283 5.565 ( -2.970 4.364 2.946) 6.045 5.688 ( -3.022 5.965 2.519) 7.146 5.736 ( 0.674 1.761 0.660) 1.998 5.841 ( -5.542 4.215 -5.467) 8.853 5.992 ( 5.140 6.789 -4.624) 9.690 6.178 ( 1.191 -2.188 1.103) 2.725 6.515 ( -1.324 -0.985 0.462) 1.713 6.674 ( -1.182 3.060 0.287) 3.293 6.736 ( -5.756 -6.527 -0.051) 8.702 7.499 ( 0.809 -0.076 -2.669) 2.790 7.794 ( 8.079 4.447 -0.535) 9.238 8.174 ( -6.837 -0.842 11.132) 13.091 8.543 ( 1.822 -2.881 -2.326) 4.127 8.602 ( -11.910 -2.230 2.711) 12.417 8.890 ( 0.257 -8.145 4.277) 9.203 9.066 ( 3.342 9.438 1.355) 10.103 9.273 ( -5.507 4.986 4.408) 8.638 9.571 ( 0.640 0.488 3.580) 3.670 9.742 ( 4.677 8.910 -7.729) 12.689 9.962 ( 3.091 -9.531 0.833) 10.055 10.181 ( 4.153 -9.344 -3.869) 10.933 10.350 ( 2.898 12.470 7.955) 15.072 10.678 ( -1.028 14.079 1.327) 14.179 10.975 ( -1.126 -0.992 -12.634) 12.723 11.365 ( -1.821 -6.515 -0.962) 6.833 11.465 ( -2.191 -2.789 1.794) 3.975 11.904 ( -0.641 -5.213 -1.543) 5.474 12.148 ( 6.606 -2.769 2.361) 7.542 12.440 ( -2.071 -11.365 -4.965) 12.574 12.709 ( -7.624 -0.368 6.293) 9.892 12.970 ( -1.893 10.686 -2.250) 11.083 13.321 ( -1.162 21.663 -1.451) 21.743 13.600 ( -4.759 3.170 1.338) 5.873 13.832 ( 3.811 -2.691 5.128) 6.932 13.922 ( 5.353 -5.930 2.415) 8.346 14.308 ( -7.070 -2.059 -1.204) 7.462 14.426 ( -1.162 6.399 -2.815) 7.086 15.220 ( 2.277 -2.233 8.809) 9.369 16.025 ( -0.032 10.230 -3.956) 10.969 16.540 ( -7.455 4.913 1.182) 9.006 16.865 ( -8.404 -7.941 -0.453) 11.571 16.988 ( 14.348 2.399 -8.309) 16.754 17.885 ( -6.193 2.453 -5.658) 8.740 18.280 ( 5.514 -5.370 5.423) 9.416 18.543 ( 13.500 0.021 -2.299) 13.694 19.392 ( 4.186 -17.024 -2.400) 17.695 19.602 ( -4.949 -9.138 5.107) 11.579 20.161 ( -3.324 -5.095 9.843) 11.571 20.287 ( 1.978 -11.375 -2.662) 11.848 20.954 ( 6.785 -3.276 -13.321) 15.304 21.582 ( -8.045 6.412 0.411) 10.296 21.603 ( 2.813 11.689 -6.179) 13.517 21.941 ( 1.248 4.729 -2.392) 5.445 22.412 ( -2.826 -2.898 6.949) 8.042 23.090 ( -3.824 13.437 4.206) 14.590 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.770 -5.136 8.840) 10.253 2.090 ( 15.384 -17.241 -4.102) 23.468 2.392 ( 8.810 0.126 -2.030) 9.041 2.590 ( -13.309 3.432 -4.088) 14.340 2.899 ( -1.593 -7.986 2.061) 8.400 2.912 ( -5.902 4.308 -0.383) 7.317 3.249 ( 7.163 -0.980 0.280) 7.235 3.346 ( 8.684 2.825 -2.020) 9.352 3.506 ( -1.087 -10.220 6.665) 12.250 3.793 ( 5.450 -15.910 -8.349) 18.776 4.104 ( 4.535 3.874 -1.187) 6.082 4.234 ( 5.038 -2.023 -2.305) 5.898 4.275 ( -5.265 -7.033 -2.209) 9.059 4.657 ( 1.116 1.392 -1.634) 2.420 4.779 ( -0.037 -3.715 8.961) 9.701 4.883 ( -2.240 10.189 -2.632) 10.759 5.161 ( 0.312 -8.219 -3.048) 8.772 5.294 ( 6.045 1.176 -3.599) 7.133 5.418 ( -1.348 -0.189 5.864) 6.020 5.496 ( -1.542 -4.833 -0.156) 5.075 5.536 ( -4.233 4.309 -0.155) 6.042 5.649 ( -8.340 6.447 1.133) 10.602 5.714 ( -2.565 3.382 -0.794) 4.319 5.875 ( 1.460 4.310 1.952) 4.951 6.126 ( 4.556 2.725 -3.828) 6.545 6.177 ( -1.464 -3.350 1.522) 3.960 6.470 ( 3.839 -6.101 -0.533) 7.229 6.592 ( -7.181 2.246 3.929) 8.488 6.738 ( 0.316 6.280 -1.125) 6.388 7.530 ( 4.025 0.002 -2.318) 4.645 7.939 ( -5.733 -3.768 0.383) 6.871 8.042 ( -0.454 0.763 11.633) 11.667 8.488 ( -1.685 -0.031 -4.169) 4.496 8.536 ( 2.359 4.734 5.576) 7.686 8.921 ( 7.394 -2.112 1.475) 7.830 9.247 ( 1.227 10.221 -0.797) 10.325 9.288 ( -2.397 4.961 5.181) 7.563 9.530 ( -5.446 4.271 0.370) 6.931 9.776 ( -1.008 -11.188 -3.622) 11.803 9.936 ( 6.983 -1.125 -0.140) 7.075 10.130 ( 0.142 -9.285 -5.394) 10.739 10.489 ( -5.024 8.368 5.758) 11.332 10.767 ( -5.564 13.225 -2.426) 14.551 10.907 ( -0.303 -2.220 -7.307) 7.643 11.243 ( -0.184 -1.423 -3.927) 4.181 11.485 ( 0.897 -3.050 8.762) 9.320 11.901 ( 4.477 -0.546 -1.160) 4.657 12.143 ( -0.821 -14.039 1.924) 14.194 12.367 ( 8.591 -5.128 -2.859) 10.405 12.593 ( -5.221 1.896 2.800) 6.221 13.012 ( -5.957 10.288 -0.657) 11.906 13.503 ( -4.281 12.171 0.996) 12.940 13.581 ( -2.985 13.316 0.911) 13.677 13.879 ( 3.261 -3.087 2.537) 5.157 13.984 ( 5.786 -5.884 -6.514) 10.514 14.177 ( -4.811 3.195 5.220) 7.785 14.446 ( -2.255 5.647 -2.934) 6.751 15.311 ( 7.854 -5.166 12.380) 15.545 16.104 ( -4.913 12.338 -5.634) 14.426 16.457 ( -10.794 -1.328 -14.438) 18.076 16.468 ( -12.000 -4.650 9.899) 16.236 17.345 ( 18.682 5.447 -5.870) 20.326 17.773 ( -5.194 -4.646 0.279) 6.975 18.293 ( -0.448 -1.702 6.521) 6.754 18.788 ( 11.414 -6.277 -13.139) 18.502 19.228 ( -1.331 -12.831 11.041) 16.980 19.550 ( 10.625 -11.860 -0.571) 15.933 20.067 ( -2.444 -4.009 2.409) 5.277 20.275 ( 10.242 -11.003 3.797) 15.504 20.977 ( 3.530 -0.383 -19.259) 19.584 21.461 ( -10.804 3.398 2.093) 11.518 21.651 ( -7.490 9.158 2.565) 12.105 22.089 ( 4.567 7.514 -5.334) 10.285 22.354 ( -0.373 -2.200 5.313) 5.762 23.142 ( -7.594 13.306 3.288) 15.670 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -5.796 1.560 -2.974) 6.699 1.984 ( 20.007 -1.316 3.622) 20.375 2.336 ( 8.434 -3.365 2.140) 9.329 2.743 ( -6.743 -7.127 3.919) 10.566 2.929 ( 0.363 4.603 -3.706) 5.920 2.997 ( 0.949 3.969 3.751) 5.542 3.133 ( 9.118 2.940 -4.064) 10.407 3.289 ( -4.377 -9.034 -3.395) 10.597 3.616 ( 7.559 -1.658 -0.205) 7.741 3.940 ( 18.200 -13.426 0.981) 22.638 3.962 ( 1.825 6.545 1.503) 6.959 4.194 ( 1.719 0.144 -1.726) 2.440 4.411 ( 0.532 -6.481 3.656) 7.460 4.555 ( 1.847 5.578 2.273) 6.300 4.763 ( -2.507 0.707 3.713) 4.536 4.921 ( -2.148 -0.956 -7.084) 7.464 5.072 ( -0.047 8.227 5.936) 10.145 5.211 ( 2.212 0.395 -2.521) 3.377 5.445 ( -1.368 1.191 2.309) 2.936 5.530 ( -0.931 -0.373 3.412) 3.557 5.567 ( -1.349 -2.463 -0.596) 2.871 5.720 ( -8.245 -1.392 -2.936) 8.862 5.750 ( -4.178 1.192 0.003) 4.345 5.807 ( -3.943 4.762 1.620) 6.391 5.972 ( -1.758 4.274 -2.477) 5.244 6.167 ( 4.667 -1.043 2.578) 5.433 6.528 ( 2.578 -2.421 -1.380) 3.796 6.647 ( -4.109 3.672 3.679) 6.626 6.765 ( 0.576 -7.134 -3.891) 8.147 7.468 ( -0.148 0.363 2.170) 2.205 7.789 ( 1.587 7.917 -0.049) 8.075 8.296 ( -4.951 -1.088 -6.836) 8.510 8.504 ( 1.843 -2.261 2.886) 4.103 8.650 ( -2.857 -9.311 -3.945) 10.509 8.987 ( 5.369 -3.792 -10.026) 11.989 9.104 ( -6.174 2.316 -4.998) 8.274 9.326 ( -6.071 -0.634 -3.305) 6.941 9.559 ( -6.409 -2.148 6.388) 9.300 9.679 ( 3.326 9.760 0.398) 10.319 9.960 ( 8.321 -2.182 1.391) 8.714 10.113 ( 10.468 -0.056 5.584) 11.864 10.399 ( -12.757 6.503 4.589) 15.036 10.672 ( -12.597 3.764 -0.512) 13.157 10.921 ( 5.678 2.324 -4.559) 7.644 11.305 ( -0.002 -7.479 5.833) 9.484 11.535 ( 3.698 2.127 -6.559) 7.824 11.876 ( 2.819 -3.229 2.603) 5.014 12.156 ( 2.549 6.178 1.382) 6.825 12.387 ( 13.861 -9.444 2.739) 16.995 12.791 ( -3.480 -7.026 -6.078) 9.921 12.938 ( -10.545 4.418 2.659) 11.738 13.309 ( -18.821 9.277 0.255) 20.985 13.622 ( -4.898 -1.800 -2.099) 5.624 13.905 ( 4.692 0.335 -5.569) 7.290 13.938 ( 7.166 -1.649 0.012) 7.353 14.301 ( -3.064 -4.729 -0.616) 5.668 14.389 ( -5.130 1.691 2.956) 6.157 15.351 ( 0.263 1.012 -11.767) 11.813 15.989 ( -7.354 5.018 2.013) 9.128 16.500 ( -9.617 -4.685 7.102) 12.840 16.768 ( 8.080 20.201 21.933) 30.894 16.937 ( 2.525 -18.290 -9.413) 20.724 17.891 ( -6.807 -1.029 -5.761) 8.977 18.361 ( 9.191 2.568 -6.456) 11.522 18.455 ( 6.342 8.125 10.987) 15.065 19.388 ( 18.089 0.836 -1.851) 18.203 19.672 ( 5.394 -11.545 -5.210) 13.767 20.217 ( 0.124 -5.829 3.378) 6.738 20.328 ( 8.542 -4.298 -10.977) 14.558 20.787 ( 11.134 0.525 11.074) 15.713 21.503 ( -7.026 7.934 8.690) 13.705 21.609 ( -8.661 1.711 -1.876) 9.025 21.911 ( -6.426 1.582 1.557) 6.798 22.494 ( 2.057 -4.334 -5.806) 7.531 23.127 ( -14.254 3.429 -1.343) 14.722 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -7.220 6.564 -5.142) 11.030 2.377 ( 9.980 -1.425 11.805) 15.524 2.450 ( 9.333 7.432 -9.558) 15.287 2.500 ( -8.898 -14.388 3.497) 17.275 2.867 ( -1.862 -3.991 0.322) 4.416 3.061 ( 1.484 0.706 2.206) 2.750 3.246 ( 1.892 0.890 3.145) 3.777 3.302 ( 5.948 7.892 -9.232) 13.524 3.666 ( 0.427 -2.157 1.467) 2.644 3.954 ( -5.264 1.255 -3.300) 6.338 4.130 ( 10.790 -4.075 2.295) 11.760 4.298 ( 7.940 -1.390 4.589) 9.275 4.343 ( -0.372 -1.436 1.907) 2.416 4.676 ( -6.990 3.311 3.033) 8.308 4.748 ( 8.410 -4.359 -2.146) 9.713 4.860 ( 1.346 -0.088 -1.121) 1.753 5.182 ( 0.096 7.806 -0.540) 7.825 5.261 ( 0.164 2.505 1.766) 3.069 5.386 ( -3.484 -1.723 -4.641) 6.053 5.464 ( -3.659 -3.296 3.118) 5.828 5.529 ( -6.041 -1.197 0.568) 6.185 5.612 ( 1.993 1.311 3.556) 4.282 5.645 ( -4.089 -2.882 -0.927) 5.087 5.842 ( 1.655 1.990 -2.098) 3.331 6.047 ( 1.858 8.254 2.256) 8.757 6.252 ( 4.540 0.531 -1.339) 4.763 6.509 ( -2.068 -1.459 -3.816) 4.579 6.591 ( -5.010 0.176 1.450) 5.219 6.676 ( 0.017 -7.142 0.417) 7.155 7.574 ( 7.197 3.945 2.273) 8.516 7.861 ( -3.625 9.540 0.746) 10.233 8.096 ( -6.071 -9.647 -7.860) 13.846 8.474 ( -3.032 -1.628 1.745) 3.858 8.588 ( 4.892 -5.784 -2.354) 7.933 8.981 ( -1.230 -0.053 -1.704) 2.102 9.064 ( -0.949 1.612 -4.281) 4.671 9.226 ( -0.683 2.994 -0.286) 3.084 9.428 ( -7.427 -2.259 3.180) 8.389 9.839 ( 3.582 6.980 -4.924) 9.263 10.087 ( 5.329 -0.351 2.574) 5.928 10.182 ( -3.439 -5.010 2.899) 6.733 10.386 ( 3.493 5.168 3.228) 7.024 10.493 ( -10.410 1.346 0.701) 10.520 11.023 ( 6.257 -2.100 -6.121) 9.001 11.273 ( 2.418 -4.365 9.979) 11.157 11.603 ( 3.917 3.374 -7.740) 9.308 11.846 ( -3.572 -1.226 3.620) 5.231 12.324 ( 6.898 6.041 3.227) 9.720 12.536 ( -4.017 -8.474 -6.853) 11.615 12.655 ( 16.300 -4.035 1.937) 16.903 12.804 ( -7.731 -1.409 1.300) 7.965 13.114 ( -15.942 15.826 0.001) 22.464 13.452 ( -8.975 -9.692 -2.546) 13.453 13.930 ( 0.931 0.453 -4.301) 4.424 14.050 ( 2.294 0.390 5.899) 6.341 14.205 ( 0.200 -3.715 -4.545) 5.874 14.343 ( -2.108 0.415 2.538) 3.325 15.388 ( 1.377 8.287 -6.848) 10.839 15.933 ( -2.167 -0.308 0.205) 2.199 16.328 ( -5.543 -5.266 8.256) 11.252 16.720 ( 0.549 -17.798 -4.157) 18.286 17.173 ( 1.990 17.915 8.980) 20.138 17.822 ( 1.818 1.574 -2.058) 3.165 18.424 ( 3.632 -5.131 -4.470) 7.714 18.811 ( 11.937 15.513 6.542) 20.638 19.538 ( 6.178 -13.724 -6.758) 16.498 19.624 ( -6.032 3.799 -0.961) 7.193 20.151 ( 5.267 -1.537 1.830) 5.784 20.425 ( 1.357 -1.294 -1.442) 2.365 20.978 ( 5.888 0.665 7.066) 9.222 21.457 ( -0.748 -5.695 -0.417) 5.759 21.489 ( -6.375 1.938 -0.156) 6.665 21.941 ( 1.531 8.794 4.898) 10.182 22.435 ( -0.038 -5.340 -5.573) 7.718 22.896 ( -12.200 0.157 -1.260) 12.266 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.441 10.033 -0.260) 10.329 2.202 ( -6.693 -14.315 2.178) 15.952 2.334 ( -8.335 2.286 -2.185) 8.915 2.765 ( 10.599 7.312 -0.373) 12.882 2.837 ( 1.287 -5.365 0.506) 5.540 3.104 ( 3.130 -0.644 0.584) 3.249 3.229 ( -3.913 -3.423 -0.199) 5.203 3.458 ( 4.783 4.923 -2.832) 7.425 3.587 ( -6.258 2.308 3.511) 7.538 3.940 ( 2.148 2.152 -0.739) 3.130 4.260 ( 8.982 -4.210 -1.174) 9.989 4.325 ( 1.578 -2.289 0.347) 2.801 4.435 ( 1.899 4.223 0.730) 4.688 4.514 ( -8.400 -5.301 -0.628) 9.953 4.832 ( 2.239 -0.168 -0.192) 2.253 4.923 ( 4.360 0.226 1.829) 4.733 5.108 ( -9.810 -5.750 -0.146) 11.372 5.238 ( -0.801 1.261 -1.229) 1.934 5.393 ( -2.270 -3.428 -0.025) 4.112 5.404 ( -1.762 4.389 -2.427) 5.315 5.459 ( 2.408 0.536 2.382) 3.429 5.553 ( -2.320 3.829 0.424) 4.497 5.759 ( 7.625 0.684 1.329) 7.770 5.838 ( -0.372 -4.038 -2.168) 4.598 6.130 ( -1.097 3.039 1.770) 3.684 6.348 ( 3.423 -4.864 -0.129) 5.949 6.390 ( -3.003 4.079 -1.037) 5.170 6.556 ( -0.382 0.764 -0.706) 1.108 6.645 ( 0.429 -0.066 0.849) 0.953 7.765 ( 5.369 5.338 0.619) 7.596 7.851 ( -3.505 -11.779 -2.045) 12.458 7.907 ( -1.917 8.937 1.298) 9.232 8.448 ( -2.419 5.783 0.922) 6.336 8.640 ( 5.693 -4.061 -0.915) 7.053 8.938 ( -2.541 0.802 1.212) 2.928 9.028 ( 0.310 0.116 -3.983) 3.997 9.275 ( -7.463 -2.086 3.644) 8.564 9.373 ( 6.439 6.335 1.128) 9.103 9.869 ( -2.446 0.926 -5.845) 6.404 10.028 ( -4.310 -3.362 4.266) 6.933 10.214 ( 1.181 -2.377 0.597) 2.721 10.367 ( -1.250 -0.430 -0.470) 1.403 10.439 ( -1.579 0.620 -0.555) 1.785 11.055 ( 4.701 -4.401 -1.525) 6.618 11.377 ( 3.204 1.068 6.096) 6.969 11.651 ( 4.199 -1.620 -9.951) 10.921 11.818 ( -3.117 6.084 6.173) 9.211 12.333 ( -3.574 -6.844 -1.780) 7.923 12.553 ( 5.330 8.798 1.815) 10.445 12.615 ( -2.601 -4.700 -0.466) 5.391 13.029 ( 7.872 4.320 0.621) 9.001 13.081 ( 2.829 -4.268 -2.505) 5.701 13.120 ( -10.079 3.625 1.633) 10.834 13.907 ( -1.632 -1.419 -2.191) 3.078 14.061 ( -3.944 0.845 5.818) 7.079 14.202 ( 3.297 0.234 -4.786) 5.816 14.345 ( 0.683 -0.430 1.164) 1.417 15.464 ( -2.423 9.949 0.099) 10.240 15.898 ( 1.965 -5.716 -1.853) 6.322 16.293 ( 1.582 -0.595 5.048) 5.324 16.562 ( -0.184 -10.577 -2.997) 10.995 17.270 ( -4.248 5.530 -1.991) 7.252 17.955 ( 6.187 5.313 3.867) 9.026 18.367 ( 0.416 -9.122 -2.327) 9.423 19.126 ( 7.529 -0.299 -0.721) 7.569 19.367 ( -17.184 6.218 1.632) 18.347 19.578 ( 5.547 1.396 -0.807) 5.777 20.279 ( 2.656 -13.041 0.948) 13.343 20.345 ( -3.805 7.788 -1.092) 8.737 21.099 ( 2.671 5.677 3.234) 7.059 21.354 ( -2.740 -3.808 -11.240) 12.180 21.483 ( 7.292 -7.501 9.094) 13.861 22.079 ( 3.541 1.617 -1.476) 4.163 22.348 ( -6.507 3.389 0.627) 7.363 22.756 ( -1.570 0.831 -0.044) 1.777 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.749 -1.259 13.905) 13.982 2.067 ( 4.610 -3.820 -1.997) 6.311 2.214 ( -4.447 5.462 -6.536) 9.609 2.739 ( -1.352 -13.984 0.955) 14.082 2.931 ( 1.436 8.160 -7.655) 11.281 3.044 ( -8.835 -2.960 -3.569) 9.978 3.184 ( 3.810 -0.811 3.210) 5.047 3.501 ( 0.389 1.610 8.302) 8.466 3.655 ( 4.918 3.110 -3.775) 6.936 3.956 ( -4.740 1.036 2.247) 5.347 4.252 ( -3.603 -14.535 -7.205) 16.618 4.295 ( -1.064 -2.977 -9.115) 9.647 4.354 ( 2.795 -6.515 -2.186) 7.418 4.552 ( 5.495 7.298 7.166) 11.611 4.831 ( 0.062 -6.354 -0.209) 6.358 4.886 ( -8.265 0.416 2.203) 8.564 4.990 ( 1.172 2.422 -0.057) 2.691 5.240 ( -1.374 -4.476 1.349) 4.872 5.302 ( -2.348 4.671 0.426) 5.245 5.423 ( -0.172 4.182 4.162) 5.903 5.521 ( 0.411 0.051 0.769) 0.874 5.602 ( 0.959 3.921 -0.891) 4.134 5.777 ( 1.247 -2.023 -2.826) 3.692 5.877 ( 4.539 1.563 -5.629) 7.398 6.153 ( 0.235 0.876 3.776) 3.884 6.203 ( -7.173 -4.143 3.545) 9.010 6.512 ( 3.356 3.246 0.570) 4.704 6.580 ( 4.199 -1.263 -1.707) 4.706 6.685 ( 1.757 3.369 -1.203) 3.986 7.648 ( -2.651 -11.497 0.523) 11.810 7.841 ( -4.064 5.484 -0.267) 6.831 8.070 ( 5.405 9.057 3.234) 11.032 8.494 ( 0.210 4.810 -3.769) 6.114 8.652 ( 2.512 -6.825 1.369) 7.400 8.970 ( 0.375 7.612 1.840) 7.840 9.067 ( 2.488 3.982 -2.229) 5.198 9.183 ( 0.350 1.281 0.212) 1.345 9.526 ( 0.571 2.946 8.037) 8.579 9.782 ( -4.288 -0.661 -0.891) 4.429 9.942 ( -2.716 -6.989 3.890) 8.447 10.082 ( -4.932 -5.849 -1.392) 7.776 10.355 ( -1.251 -3.229 -3.785) 5.130 10.498 ( 3.625 9.262 0.023) 9.946 11.094 ( 2.684 0.113 -1.125) 2.913 11.345 ( -3.803 -4.433 -3.238) 6.678 11.716 ( 7.068 -0.874 0.386) 7.133 11.833 ( -4.391 1.470 -1.957) 5.027 12.293 ( 4.574 -3.882 3.035) 6.723 12.498 ( -6.283 9.013 -2.866) 11.355 12.674 ( -7.726 -20.949 -1.856) 22.405 12.842 ( 11.429 5.346 0.662) 12.635 13.192 ( -5.679 22.547 2.346) 23.369 13.437 ( 17.208 1.186 1.956) 17.360 13.826 ( -3.645 -3.177 -0.529) 4.864 14.003 ( -4.019 -1.851 4.249) 6.135 14.273 ( 4.062 3.264 -2.623) 5.833 14.357 ( 1.833 -0.913 -0.546) 2.119 15.489 ( -8.412 8.968 9.378) 15.464 15.880 ( 4.897 -5.559 -6.099) 9.596 16.370 ( 5.092 -0.676 -7.256) 8.890 16.492 ( 0.550 1.475 1.131) 1.938 17.194 ( -3.377 -4.406 1.983) 5.895 18.090 ( 2.032 7.188 -12.099) 14.219 18.276 ( 0.651 -13.378 16.007) 20.872 18.915 ( -17.032 -3.071 -9.719) 19.849 19.293 ( -2.218 -0.469 4.988) 5.479 19.825 ( 12.260 9.511 1.521) 15.591 20.048 ( -7.330 -11.916 -1.123) 14.035 20.353 ( -2.791 -4.165 1.977) 5.389 21.175 ( -4.265 -10.276 -12.348) 16.621 21.228 ( 2.030 10.095 -0.450) 10.307 21.650 ( 11.992 -2.929 8.753) 15.133 22.025 ( -4.815 -1.381 -6.323) 8.067 22.337 ( -1.411 4.838 4.130) 6.515 22.862 ( 5.405 8.616 2.831) 10.558 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -2.147 -17.860 13.920) 22.745 2.038 ( -6.974 5.905 -4.231) 10.070 2.362 ( 8.483 1.194 -4.178) 9.531 2.580 ( 4.046 -13.093 3.086) 14.047 2.870 ( -4.872 -0.383 -4.390) 6.569 2.967 ( -1.461 4.777 -6.708) 8.364 3.226 ( 0.025 0.214 -1.247) 1.265 3.569 ( -2.597 2.644 7.801) 8.636 3.708 ( -2.145 -11.371 -6.180) 13.119 3.753 ( -0.945 -5.782 -5.582) 8.092 4.035 ( -1.190 -16.415 0.821) 16.479 4.180 ( -3.418 -4.124 -1.413) 5.540 4.322 ( 2.061 -2.394 -3.672) 4.844 4.706 ( -0.177 -2.103 5.391) 5.789 4.789 ( -1.484 3.760 -4.283) 5.889 4.856 ( 4.409 1.877 3.906) 6.182 5.031 ( -1.590 4.505 -1.153) 4.914 5.133 ( -3.065 -1.993 2.799) 4.604 5.411 ( 3.544 6.420 1.062) 7.410 5.491 ( 1.558 1.651 3.172) 3.901 5.523 ( 0.972 0.403 0.364) 1.113 5.646 ( 1.142 1.749 1.412) 2.522 5.797 ( -0.232 2.167 1.847) 2.857 5.894 ( -0.887 2.163 -8.267) 8.591 6.099 ( -5.508 7.682 -2.356) 9.742 6.163 ( 0.364 -4.691 4.285) 6.364 6.548 ( 2.584 -7.112 1.010) 7.634 6.648 ( 2.418 3.255 -2.080) 4.557 6.749 ( 2.140 2.630 -1.870) 3.872 7.538 ( 0.336 -5.735 2.090) 6.113 7.772 ( -7.453 3.194 -1.198) 8.197 8.249 ( 1.906 7.542 4.090) 8.789 8.462 ( -0.994 -0.780 -5.414) 5.559 8.665 ( 5.063 -4.737 2.779) 7.470 9.049 ( -3.528 8.209 -0.355) 8.942 9.158 ( 0.334 4.265 3.644) 5.620 9.333 ( 10.528 1.330 -0.288) 10.615 9.508 ( -4.428 -0.532 6.074) 7.536 9.690 ( -8.374 2.525 3.494) 9.418 9.791 ( 0.029 -7.411 -1.769) 7.620 10.094 ( 5.655 -2.668 6.276) 8.859 10.277 ( -1.463 0.172 -4.235) 4.484 10.668 ( 1.793 13.350 1.598) 13.565 11.097 ( -4.101 3.717 -11.503) 12.766 11.266 ( 3.367 -4.948 3.049) 6.716 11.680 ( -6.758 -3.949 -7.510) 10.848 11.831 ( 5.242 -2.884 4.875) 7.718 12.186 ( -8.753 -7.135 -5.073) 12.380 12.490 ( 3.811 -12.846 2.638) 13.657 12.600 ( 6.634 8.086 -0.335) 10.465 13.023 ( 1.584 8.272 -2.785) 8.871 13.363 ( -1.493 18.669 3.516) 19.055 13.667 ( 5.759 2.014 3.333) 6.952 13.744 ( -1.771 -1.756 0.895) 2.649 13.925 ( -2.709 -4.481 3.426) 6.258 14.355 ( 2.349 -0.293 3.005) 3.826 14.411 ( 3.228 5.050 -6.186) 8.613 15.423 ( -11.914 3.610 15.308) 19.731 15.927 ( 7.166 1.430 -9.840) 12.256 16.383 ( 4.073 3.620 -14.427) 15.422 16.628 ( 6.054 6.578 -0.574) 8.958 17.114 ( -0.681 -9.170 9.446) 13.182 18.077 ( -1.954 1.645 -6.154) 6.663 18.251 ( 1.435 -10.898 12.450) 16.609 18.549 ( -17.204 2.802 -9.456) 19.830 19.225 ( -0.247 -9.845 -2.295) 10.112 19.819 ( -4.386 -12.188 0.183) 12.954 20.124 ( 9.051 -2.721 -2.711) 9.833 20.227 ( -1.145 -3.530 11.856) 12.423 20.887 ( -6.079 -16.007 -12.511) 21.206 21.390 ( 4.332 13.035 -3.170) 14.097 21.812 ( 0.936 3.109 -5.560) 6.439 21.962 ( -0.587 4.042 6.515) 7.690 22.389 ( 1.981 0.882 2.285) 3.150 23.084 ( 4.080 13.530 4.216) 14.747 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.703 -22.760 2.693) 23.618 1.904 ( -7.508 -9.163 0.264) 11.849 2.319 ( -1.615 -1.866 -2.414) 3.452 2.703 ( 5.293 -1.446 5.653) 7.878 2.816 ( 3.710 -8.905 -2.759) 10.034 2.991 ( 6.017 3.703 -5.950) 9.237 3.143 ( -7.984 1.736 -9.079) 12.214 3.443 ( -5.088 -8.170 2.503) 9.946 3.472 ( -2.453 -8.483 -3.536) 9.512 3.806 ( -4.826 -16.780 0.688) 17.474 3.844 ( 6.628 -1.490 1.391) 6.935 4.141 ( 1.549 -1.172 2.542) 3.199 4.343 ( 3.135 -4.948 -2.199) 6.257 4.657 ( -3.001 2.435 0.264) 3.874 4.780 ( -2.113 3.072 2.337) 4.400 4.984 ( 0.876 2.980 -3.956) 5.030 5.025 ( 3.249 2.741 -2.048) 4.719 5.142 ( 1.269 -1.615 3.361) 3.939 5.449 ( -1.812 -2.407 3.200) 4.395 5.484 ( 0.043 -6.452 2.806) 7.036 5.614 ( 3.323 5.469 -3.316) 7.207 5.707 ( 2.046 0.838 1.667) 2.769 5.833 ( -1.892 6.293 8.081) 10.416 5.900 ( 1.564 5.911 -7.717) 9.846 6.087 ( -5.328 4.540 0.511) 7.018 6.146 ( 0.680 4.955 -5.042) 7.102 6.465 ( -0.387 -12.522 0.267) 12.531 6.708 ( 0.826 4.269 -1.256) 4.526 6.784 ( -1.594 4.782 -0.143) 5.042 7.547 ( -1.328 2.841 0.595) 3.192 7.707 ( 1.647 1.911 -1.600) 2.987 8.248 ( -1.793 -5.514 1.964) 6.122 8.543 ( 1.909 10.613 3.743) 11.415 8.732 ( 2.020 -3.005 5.278) 6.401 8.952 ( -12.890 -0.489 2.550) 13.149 9.094 ( -2.835 -4.393 5.544) 7.620 9.360 ( -2.025 -6.422 -3.582) 7.628 9.552 ( 5.884 5.976 3.371) 9.038 9.751 ( 2.443 10.680 -3.086) 11.382 9.813 ( 5.397 -4.016 1.537) 6.900 10.039 ( -1.961 -8.582 -5.772) 10.527 10.436 ( 7.336 10.405 13.872) 18.829 10.844 ( 0.233 15.330 2.538) 15.541 10.975 ( -5.204 3.497 -17.896) 18.963 11.302 ( 1.870 -4.675 2.414) 5.584 11.513 ( -5.037 -1.464 -2.648) 5.876 11.823 ( -0.414 -7.861 0.032) 7.872 12.056 ( 2.523 -3.533 0.850) 4.424 12.397 ( -3.700 -7.033 -4.308) 9.039 12.738 ( 3.503 -3.782 1.348) 5.329 13.106 ( -0.718 10.835 -2.139) 11.067 13.515 ( 0.549 12.803 3.146) 13.195 13.732 ( -3.420 6.106 2.430) 7.408 13.758 ( 1.759 0.866 2.352) 3.062 13.851 ( -1.320 -5.355 2.134) 5.913 14.368 ( -1.712 0.613 1.007) 2.079 14.486 ( 0.657 6.787 -4.022) 7.917 15.300 ( -8.608 -2.616 14.078) 16.707 16.084 ( 7.062 11.155 -7.467) 15.168 16.535 ( 14.664 5.407 -14.001) 20.983 16.755 ( -0.967 9.154 -3.128) 9.722 16.995 ( -7.205 -12.458 7.499) 16.228 18.046 ( -3.219 -1.206 1.181) 3.635 18.155 ( -2.291 -3.636 3.594) 5.603 18.409 ( 1.644 2.854 -4.686) 5.727 19.090 ( 3.587 -16.918 -5.411) 18.121 19.617 ( -5.509 -14.043 4.219) 15.664 19.985 ( 3.285 -21.935 4.206) 22.575 20.323 ( -8.321 -6.049 9.207) 13.806 20.692 ( 10.812 -3.300 -17.537) 20.865 21.616 ( 6.545 14.816 -5.984) 17.267 21.768 ( -5.864 5.837 -3.462) 8.969 22.038 ( -2.532 6.795 3.907) 8.237 22.430 ( 0.906 -1.346 3.552) 3.905 23.290 ( 0.123 15.144 3.954) 15.652 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 15.639 -20.262 1.183) 25.623 1.619 ( -0.895 -23.591 -3.570) 23.877 2.334 ( 2.210 2.990 1.183) 3.902 2.648 ( 5.837 -19.025 -3.931) 20.285 2.846 ( -3.064 3.167 4.070) 5.999 3.005 ( -2.270 2.054 -6.793) 7.451 3.155 ( 6.724 -2.844 0.017) 7.301 3.246 ( -6.303 1.168 -1.704) 6.633 3.477 ( 3.834 -4.995 1.908) 6.580 3.552 ( -2.144 -11.151 -0.520) 11.367 3.967 ( 7.293 -0.672 0.457) 7.338 4.176 ( 1.351 -4.680 3.705) 6.120 4.265 ( -1.127 -5.188 -4.900) 7.225 4.690 ( -0.643 7.258 -3.382) 8.033 4.796 ( -0.051 0.229 8.438) 8.442 4.972 ( -0.332 -0.853 -6.123) 6.191 5.113 ( -0.452 0.198 -0.122) 0.508 5.145 ( 5.424 -1.995 -2.085) 6.144 5.409 ( 0.152 -7.596 7.720) 10.831 5.419 ( 0.941 -3.246 -2.627) 4.281 5.652 ( -3.743 2.708 1.080) 4.745 5.728 ( 0.985 1.796 -3.862) 4.372 5.910 ( -3.277 2.383 -1.171) 4.218 5.924 ( -1.518 5.906 7.420) 9.604 6.076 ( 0.867 3.149 -1.919) 3.788 6.227 ( 1.133 10.067 -6.031) 11.790 6.325 ( -1.460 -9.751 1.696) 10.005 6.736 ( -2.218 2.093 2.464) 3.920 6.820 ( -2.430 9.704 -0.342) 10.009 7.532 ( -2.329 4.936 -2.647) 6.066 7.855 ( 8.281 3.027 -3.535) 9.499 8.152 ( -4.009 -8.894 11.608) 15.163 8.561 ( -11.037 -0.566 2.117) 11.252 8.684 ( -5.062 10.894 5.058) 13.034 8.813 ( 2.312 -4.727 9.369) 10.746 9.217 ( 11.647 4.536 1.135) 12.550 9.303 ( 2.945 -6.587 -1.684) 7.409 9.650 ( -2.844 4.351 -2.235) 5.658 9.726 ( -4.503 -13.067 -0.925) 13.853 9.862 ( 1.742 7.986 -5.229) 9.704 9.970 ( 2.535 -4.512 -1.726) 5.455 10.704 ( -0.555 11.306 14.466) 18.368 10.857 ( -2.554 4.080 -19.791) 20.368 10.991 ( -2.470 13.282 2.634) 13.764 11.261 ( -1.990 -1.368 0.696) 2.513 11.474 ( 1.007 0.479 3.451) 3.626 11.777 ( 4.002 -5.928 1.187) 7.250 12.049 ( -1.118 -9.768 1.135) 9.898 12.253 ( -0.213 -0.264 -7.442) 7.449 12.666 ( -3.299 -8.760 5.981) 11.108 13.180 ( -2.352 9.059 -2.760) 9.758 13.695 ( 1.431 10.549 -1.146) 10.707 13.766 ( -3.327 1.197 -0.526) 3.575 13.781 ( 1.660 7.363 2.997) 8.121 13.799 ( 2.829 -3.977 1.213) 5.029 14.347 ( -4.592 6.105 3.381) 8.354 14.532 ( -1.626 6.522 -3.649) 7.648 15.223 ( 0.165 -6.732 13.843) 15.394 16.298 ( 0.586 18.615 -4.070) 19.064 16.585 ( -16.927 -15.802 -3.049) 23.357 16.736 ( -7.794 11.300 4.932) 14.586 16.913 ( 20.353 1.348 -20.767) 29.109 17.926 ( -8.377 0.637 9.283) 12.520 18.231 ( 8.179 -2.077 2.365) 8.764 18.494 ( 5.550 -1.133 -13.856) 14.969 19.045 ( 13.308 -15.590 7.016) 21.665 19.358 ( -6.969 -17.053 3.757) 18.801 19.891 ( 9.128 -23.030 -0.422) 24.777 20.092 ( -2.448 -12.443 12.899) 18.089 20.828 ( 5.978 5.403 -22.990) 24.362 21.689 ( -7.686 6.624 -0.768) 10.176 21.840 ( 0.238 12.027 -3.094) 12.421 22.076 ( 0.797 8.356 -0.795) 8.432 22.408 ( -3.229 -2.663 5.461) 6.881 23.414 ( -5.021 14.349 2.759) 15.451 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 0.000 32.136) 32.136 0.854 ( 0.000 0.000 32.136) 32.136 1.502 ( 0.000 0.000 57.007) 57.007 2.604 ( 0.000 -0.000 -16.762) 16.762 2.604 ( 0.000 -0.000 -16.762) 16.762 3.156 ( 0.000 0.000 6.637) 6.637 3.156 ( -0.000 0.000 6.637) 6.637 3.418 ( -0.000 -0.000 -2.174) 2.174 3.563 ( 0.000 0.000 -1.368) 1.368 3.563 ( 0.000 -0.000 -1.368) 1.368 3.825 ( 0.000 -0.000 -2.437) 2.437 3.825 ( 0.000 -0.000 -2.437) 2.437 3.831 ( -0.000 -0.000 -8.478) 8.478 4.535 ( -0.000 -0.000 -7.131) 7.131 4.657 ( -0.000 -0.000 -7.133) 7.133 5.027 ( 0.000 0.000 6.643) 6.643 5.027 ( 0.000 0.000 6.643) 6.643 5.098 ( -0.000 -0.000 -2.869) 2.869 5.355 ( 0.000 0.000 2.699) 2.699 5.355 ( 0.000 0.000 2.699) 2.699 5.754 ( 0.000 -0.000 -4.756) 4.756 5.754 ( 0.000 -0.000 -4.756) 4.756 5.840 ( -0.000 -0.000 -3.113) 3.113 5.960 ( 0.000 0.000 0.889) 0.889 5.999 ( 0.000 -0.000 -1.882) 1.882 5.999 ( 0.000 -0.000 -1.882) 1.882 6.742 ( -0.000 -0.000 -1.770) 1.770 7.340 ( 0.000 0.000 5.475) 5.475 7.599 ( 0.000 0.000 7.680) 7.680 7.673 ( -0.000 -0.000 -10.411) 10.411 7.673 ( 0.000 -0.000 -10.411) 10.411 8.138 ( -0.000 -0.000 -5.945) 5.945 8.644 ( -0.000 0.000 2.827) 2.827 8.644 ( 0.000 0.000 2.827) 2.827 8.924 ( -0.000 0.000 4.084) 4.084 8.924 ( 0.000 0.000 4.084) 4.084 9.130 ( 0.000 0.000 8.554) 8.554 9.130 ( 0.000 0.000 8.554) 8.554 9.450 ( -0.000 -0.000 -0.919) 0.919 9.943 ( 0.000 0.000 2.829) 2.829 9.943 ( 0.000 0.000 2.829) 2.829 10.875 ( -0.000 -0.000 -13.130) 13.130 11.383 ( 0.000 -0.000 -6.574) 6.574 11.383 ( 0.000 -0.000 -6.574) 6.574 11.423 ( 0.000 -0.000 -4.507) 4.507 11.423 ( 0.000 -0.000 -4.507) 4.507 11.776 ( 0.000 0.000 3.899) 3.899 11.954 ( 0.000 0.000 2.436) 2.436 11.954 ( 0.000 0.000 2.436) 2.436 12.404 ( 0.000 0.000 16.605) 16.605 13.374 ( 0.000 0.000 3.110) 3.110 13.746 ( 0.000 0.000 1.838) 1.838 13.746 ( 0.000 0.000 1.838) 1.838 13.786 ( -0.000 -0.000 -10.291) 10.291 14.163 ( 0.000 0.000 2.212) 2.212 14.675 ( -0.000 -0.000 -3.763) 3.763 14.990 ( 0.000 0.000 1.634) 1.634 14.990 ( 0.000 0.000 1.634) 1.634 15.874 ( -0.000 -0.000 -0.559) 0.559 17.335 ( 0.000 0.000 1.244) 1.244 17.641 ( -0.000 0.000 1.371) 1.371 17.641 ( -0.000 0.000 1.371) 1.371 17.837 ( 0.000 0.000 0.111) 0.111 17.912 ( 0.000 0.000 -4.800) 4.800 17.912 ( -0.000 -0.000 -4.800) 4.800 18.619 ( 0.000 -0.000 -1.607) 1.607 18.619 ( -0.000 -0.000 -1.607) 1.607 18.862 ( 0.000 0.000 2.845) 2.845 18.862 ( 0.000 0.000 2.845) 2.845 21.997 ( 0.000 0.000 0.723) 0.723 21.997 ( 0.000 -0.000 0.723) 0.723 22.264 ( -0.000 -0.000 -0.786) 0.786 22.315 ( -0.000 0.000 -0.596) 0.596 22.315 ( -0.000 -0.000 -0.596) 0.596 23.942 ( 0.000 0.000 0.864) 0.864 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 7.844 -8.182 27.851) 30.069 1.203 ( 9.513 15.344 24.813) 30.686 1.993 ( 13.434 12.522 29.995) 35.171 2.492 ( 5.813 -3.989 -5.590) 8.997 2.634 ( 4.726 2.289 -14.581) 15.498 3.111 ( -6.646 1.606 3.932) 7.887 3.232 ( 1.700 3.315 5.322) 6.496 3.333 ( -5.648 -6.065 1.541) 8.430 3.421 ( -0.686 1.015 0.346) 1.273 3.705 ( 1.102 -4.256 5.781) 7.263 3.770 ( 6.558 2.374 -10.305) 12.443 3.877 ( 0.972 8.919 -6.140) 10.871 3.963 ( 10.042 -0.061 -2.659) 10.388 4.554 ( 5.572 3.559 -18.864) 19.989 4.665 ( 2.311 0.278 1.740) 2.906 4.930 ( -6.192 -2.177 4.875) 8.176 5.050 ( -3.185 -2.310 -1.995) 4.411 5.193 ( 6.563 4.971 3.912) 9.115 5.334 ( -1.960 -3.979 4.197) 6.107 5.389 ( 1.835 2.120 3.121) 4.195 5.655 ( -4.425 -1.381 -4.980) 6.804 5.781 ( 0.570 0.522 -3.291) 3.381 5.858 ( 2.742 1.038 -1.204) 3.170 5.958 ( -0.701 -0.840 -4.003) 4.150 6.004 ( 0.979 2.095 -2.093) 3.119 6.044 ( 4.915 1.673 0.887) 5.267 6.721 ( -1.567 -0.706 -2.311) 2.880 7.075 ( -18.124 -9.604 10.390) 22.993 7.470 ( -12.879 -6.232 6.847) 15.862 7.548 ( -0.958 -4.596 -6.720) 8.197 7.792 ( 2.311 -2.902 -8.292) 9.084 7.928 ( -5.576 5.845 -8.382) 11.641 8.574 ( -0.191 -7.412 3.600) 8.242 8.822 ( -4.349 19.083 1.163) 19.607 8.920 ( 1.130 -0.768 -2.927) 3.230 9.071 ( 0.945 2.237 6.586) 7.020 9.196 ( 5.007 1.858 2.992) 6.121 9.310 ( 16.885 3.234 1.165) 17.232 9.607 ( 8.312 5.113 -2.117) 9.986 9.855 ( -4.189 -6.878 3.903) 8.949 10.015 ( 1.667 2.422 3.919) 4.900 10.593 ( -11.298 -11.965 -8.959) 18.737 11.311 ( -3.215 -0.528 -2.035) 3.841 11.348 ( -7.964 2.546 -4.495) 9.492 11.412 ( 2.110 0.973 -5.010) 5.522 11.509 ( 7.066 0.675 -6.809) 9.836 11.668 ( -3.783 -6.460 2.842) 8.007 11.912 ( -3.648 -0.777 1.752) 4.121 12.093 ( 4.978 3.832 1.066) 6.372 12.545 ( 3.119 6.901 15.484) 17.237 13.357 ( -1.130 -3.400 5.920) 6.920 13.547 ( 0.058 -0.796 -5.650) 5.706 13.724 ( -2.369 -1.414 1.508) 3.144 13.983 ( 2.419 1.177 -2.932) 3.979 14.250 ( 4.046 -1.385 2.452) 4.930 14.614 ( -3.656 -0.873 -5.334) 6.525 14.806 ( -12.353 2.337 -3.960) 13.181 14.901 ( -7.248 -3.631 2.332) 8.435 16.022 ( 8.536 6.517 0.611) 10.757 17.006 ( -6.112 -20.229 12.655) 24.632 17.278 ( -23.477 -3.600 3.964) 24.080 17.397 ( -19.192 -11.141 -1.118) 22.220 17.798 ( 3.275 -3.615 -10.221) 11.325 18.049 ( 5.285 0.604 -1.457) 5.516 18.246 ( 19.959 7.470 -0.681) 21.322 18.661 ( 0.136 8.862 0.271) 8.867 18.864 ( 12.483 18.359 -2.302) 22.320 18.992 ( 14.924 -0.879 0.897) 14.977 19.324 ( 25.253 18.991 -2.818) 31.722 21.818 ( -17.202 -13.843 12.841) 25.542 21.890 ( -5.484 -9.781 6.535) 12.979 22.105 ( 1.120 -1.627 -4.240) 4.677 22.211 ( -6.662 -5.877 -0.133) 8.885 22.394 ( -1.671 7.601 -1.283) 7.888 23.809 ( -10.024 -5.702 -0.472) 11.542 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 10.833 -2.539 12.753) 16.925 1.657 ( 13.776 13.570 12.906) 23.248 2.130 ( 0.713 3.539 -11.444) 12.000 2.662 ( 7.827 -3.151 -13.693) 16.084 2.871 ( 5.212 4.250 19.023) 20.176 3.043 ( 4.880 4.309 12.850) 14.405 3.257 ( -4.639 3.596 2.139) 6.247 3.349 ( 3.919 5.488 5.009) 8.401 3.405 ( 0.410 -1.353 0.574) 1.526 3.730 ( 0.320 2.643 -0.504) 2.710 3.858 ( 8.430 -4.206 -1.422) 9.528 3.992 ( 6.536 7.238 -3.957) 10.525 4.150 ( 9.704 1.588 0.730) 9.861 4.601 ( -3.161 1.700 -5.394) 6.479 4.684 ( 7.664 -2.645 -9.730) 12.665 4.904 ( -3.797 1.268 2.397) 4.666 4.952 ( 1.312 0.960 -4.637) 4.913 5.253 ( -4.310 -4.268 5.837) 8.418 5.337 ( 2.667 3.317 -1.335) 4.461 5.470 ( 2.596 1.787 3.302) 4.564 5.545 ( -3.125 -1.668 -3.589) 5.043 5.760 ( -1.460 -1.105 -2.649) 3.220 5.850 ( -2.907 -2.527 -1.915) 4.302 5.990 ( 5.857 0.249 1.450) 6.039 6.041 ( 0.185 3.975 -0.063) 3.980 6.181 ( 7.041 3.053 -2.941) 8.219 6.560 ( -17.288 -8.353 2.138) 19.319 6.730 ( -7.312 -4.144 0.584) 8.425 7.159 ( -13.943 -6.157 5.316) 16.142 7.494 ( 1.389 -3.637 -2.346) 4.545 7.778 ( -0.144 0.381 4.027) 4.047 7.952 ( 0.942 9.906 -15.730) 18.614 8.518 ( -0.429 -3.767 1.113) 3.951 8.881 ( 1.055 0.483 -4.824) 4.962 8.923 ( -2.647 9.202 1.869) 9.756 9.163 ( 0.994 7.364 5.506) 9.248 9.286 ( 2.973 -2.472 -4.259) 5.753 9.615 ( 8.904 8.121 -0.740) 12.073 9.666 ( -1.150 -7.885 -2.845) 8.461 9.765 ( -1.435 2.452 4.922) 5.683 10.094 ( 4.634 -2.379 7.849) 9.420 10.252 ( -8.084 -13.387 -7.561) 17.370 11.140 ( -10.468 -5.527 -3.299) 12.289 11.229 ( -5.305 -0.488 -2.880) 6.056 11.469 ( -0.070 6.416 2.630) 6.934 11.579 ( -1.066 -5.162 5.333) 7.498 11.619 ( 5.494 5.235 -5.095) 9.140 11.873 ( 3.252 -2.942 -1.570) 4.658 12.173 ( 0.216 2.369 2.323) 3.325 12.732 ( 0.760 10.457 8.101) 13.249 13.294 ( -3.574 -7.278 2.136) 8.385 13.597 ( 3.884 2.744 -6.489) 8.045 13.680 ( -0.321 -1.704 -0.205) 1.746 13.936 ( -4.327 -4.884 2.083) 6.849 14.144 ( -6.275 -8.225 5.444) 11.691 14.425 ( -10.056 -3.871 -3.009) 11.187 14.739 ( -5.991 -3.317 3.673) 7.771 14.849 ( 4.401 16.084 -15.778) 22.957 16.158 ( -1.357 1.409 5.348) 5.694 16.839 ( -16.695 -9.678 9.222) 21.388 16.916 ( 3.645 -21.201 3.947) 21.871 17.045 ( -7.097 1.978 1.007) 7.436 17.720 ( -7.380 7.893 -14.634) 18.191 18.103 ( 10.009 -10.994 -1.396) 14.933 18.676 ( 17.174 -1.787 10.129) 20.018 18.798 ( 0.219 20.832 2.856) 21.028 19.220 ( 12.408 14.561 -4.206) 19.588 19.390 ( 22.286 6.630 -4.881) 23.758 19.901 ( 17.843 19.160 -0.727) 26.192 21.471 ( -8.168 -18.455 15.079) 25.193 21.688 ( -9.171 -10.208 6.583) 15.221 21.967 ( -11.338 -5.844 -3.932) 13.348 22.106 ( -1.380 -0.840 0.477) 1.685 22.425 ( -0.703 5.717 -3.257) 6.617 23.511 ( -13.796 -7.775 -3.721) 16.268 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 6.252 4.463 -2.321) 8.025 2.003 ( 12.633 2.174 2.315) 13.026 2.276 ( 11.030 8.027 0.890) 13.670 2.689 ( 2.509 -3.608 -5.048) 6.693 2.802 ( -7.132 -1.781 3.050) 7.959 3.117 ( -4.195 0.488 3.342) 5.386 3.375 ( -2.029 2.614 -4.856) 5.876 3.391 ( 3.191 2.426 4.738) 6.206 3.615 ( 9.854 7.059 11.009) 16.375 3.734 ( -0.880 4.110 -2.451) 4.866 3.982 ( 7.411 -1.519 0.220) 7.568 4.265 ( 13.624 3.509 1.038) 14.107 4.331 ( 9.082 3.674 9.067) 13.349 4.499 ( -5.625 3.110 2.242) 6.807 4.759 ( -5.873 -4.008 -0.449) 7.124 4.835 ( 12.764 -1.465 -6.881) 14.574 5.064 ( 4.832 4.232 -9.090) 11.130 5.158 ( -4.613 -1.536 5.530) 7.363 5.315 ( -4.442 -0.601 -3.699) 5.812 5.478 ( 0.074 -3.642 -4.125) 5.503 5.527 ( -2.122 0.679 1.654) 2.775 5.660 ( -3.430 -4.719 -1.844) 6.118 5.785 ( -1.582 -0.659 1.080) 2.026 5.948 ( -12.375 -6.181 -0.836) 13.858 6.081 ( -0.627 3.364 1.412) 3.702 6.264 ( 3.236 2.839 -0.071) 4.306 6.364 ( 2.976 0.402 4.478) 5.392 6.629 ( -3.913 -1.238 -1.015) 4.228 6.942 ( -5.952 -2.721 1.393) 6.691 7.482 ( 1.091 -2.948 0.634) 3.207 7.802 ( -3.345 6.384 2.852) 7.751 8.006 ( 3.799 3.634 -11.885) 12.996 8.522 ( 1.735 1.964 2.436) 3.578 8.873 ( 5.903 -12.190 -4.996) 14.436 9.000 ( -4.864 17.513 0.925) 18.199 9.203 ( -2.185 -6.293 -7.498) 10.030 9.267 ( 2.353 0.702 1.876) 3.090 9.526 ( -6.470 -0.463 -0.236) 6.491 9.764 ( 1.730 2.298 -2.032) 3.522 9.820 ( 2.176 4.259 2.373) 5.339 10.002 ( -4.353 -6.293 -5.268) 9.290 10.192 ( 6.725 -6.273 8.375) 12.439 10.861 ( -11.110 -7.749 -2.615) 13.796 11.109 ( -4.303 -3.302 -2.170) 5.842 11.503 ( -3.533 3.671 8.085) 9.557 11.586 ( -0.852 2.575 3.145) 4.152 11.759 ( 4.740 7.215 -0.786) 8.669 11.995 ( 13.553 -4.262 -3.334) 14.593 12.212 ( 0.918 6.246 2.942) 6.965 12.809 ( -4.633 5.267 -0.167) 7.016 13.108 ( -7.770 -7.020 2.569) 10.782 13.495 ( -8.829 -7.600 -3.223) 12.088 13.709 ( -0.276 -0.226 -2.302) 2.330 13.836 ( 1.207 -1.593 -1.631) 2.580 14.057 ( 1.330 -3.563 0.760) 3.878 14.256 ( -5.384 0.251 -0.819) 5.452 14.615 ( -5.761 -3.371 4.024) 7.794 15.037 ( 5.788 13.310 -14.427) 20.465 16.089 ( -5.730 -2.797 4.523) 7.818 16.517 ( -8.599 -15.862 15.827) 24.001 16.713 ( -8.029 -4.004 2.171) 9.231 17.196 ( 12.875 -0.246 -3.832) 13.435 17.635 ( -7.586 14.087 -8.961) 18.338 18.163 ( 10.339 -11.593 -3.092) 15.838 18.748 ( -7.844 3.693 12.116) 14.899 19.228 ( 21.551 7.716 3.647) 23.180 19.567 ( 12.091 12.213 -5.135) 17.937 19.758 ( 12.827 7.241 -6.484) 16.094 20.326 ( 10.944 13.769 -0.128) 17.589 21.271 ( -3.622 -11.487 5.840) 13.386 21.436 ( -9.349 -12.146 11.257) 19.017 21.680 ( -11.478 -5.268 -1.137) 12.681 22.040 ( -6.014 -0.404 2.222) 6.424 22.483 ( 4.164 4.126 -6.198) 8.531 23.170 ( -12.817 -7.394 -4.763) 15.545 ======================= Grid point 188 (92/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 6.635 11.003 -2.951) 13.183 2.197 ( 9.151 -6.046 -2.692) 11.294 2.487 ( -7.739 3.079 6.300) 10.444 2.615 ( 9.353 -3.821 1.547) 10.221 2.766 ( 1.809 0.204 -0.222) 1.834 3.090 ( -6.488 3.228 6.860) 9.979 3.236 ( -3.403 -7.146 -9.168) 12.112 3.483 ( -1.889 8.882 -1.575) 9.217 3.736 ( 6.973 -5.628 -0.796) 8.996 3.824 ( -4.324 8.279 6.684) 11.485 4.090 ( 6.647 -0.488 -1.036) 6.745 4.355 ( 2.430 -4.479 5.551) 7.535 4.502 ( -3.615 9.264 -0.355) 9.950 4.533 ( -2.705 -1.669 -1.373) 3.463 4.771 ( 7.772 0.425 6.524) 10.156 4.970 ( 1.018 -4.423 2.920) 5.397 5.074 ( 5.266 -2.182 -4.298) 7.139 5.146 ( -10.553 -2.131 0.298) 10.770 5.183 ( 4.494 2.406 0.082) 5.099 5.424 ( 2.165 -1.343 -5.782) 6.319 5.449 ( 0.585 -0.869 -2.007) 2.264 5.612 ( -1.688 1.212 0.692) 2.190 5.735 ( -2.789 -1.934 4.312) 5.488 5.802 ( -0.502 1.925 -1.389) 2.426 6.054 ( -5.126 1.396 -2.367) 5.817 6.346 ( -0.861 0.437 -2.122) 2.332 6.431 ( 2.576 -0.455 7.199) 7.660 6.563 ( -1.092 1.472 0.675) 1.953 6.917 ( 2.032 -0.805 0.257) 2.201 7.481 ( -0.020 0.649 1.632) 1.756 7.780 ( -5.956 3.916 -2.591) 7.584 8.077 ( 6.670 -0.493 -1.738) 6.910 8.615 ( 1.589 4.654 1.089) 5.036 8.779 ( -0.214 -10.511 -3.070) 10.953 9.017 ( -5.363 0.938 -5.528) 7.758 9.148 ( 6.182 -2.999 -1.339) 7.000 9.268 ( -1.761 7.096 -6.636) 9.874 9.492 ( -0.868 3.335 -0.142) 3.449 9.713 ( -4.982 -2.522 -2.575) 6.149 9.936 ( 5.500 3.037 4.980) 8.017 9.967 ( 2.617 1.835 -3.235) 4.548 10.251 ( 3.437 -5.498 5.382) 8.426 10.604 ( -7.414 -5.404 -2.144) 9.422 11.007 ( -3.128 -3.109 0.852) 4.492 11.511 ( -1.562 1.412 -0.906) 2.293 11.568 ( -5.057 0.540 9.377) 10.667 11.943 ( 4.419 10.061 1.645) 11.111 12.069 ( 3.057 -7.045 0.456) 7.693 12.473 ( 15.069 10.113 0.434) 18.154 12.659 ( -7.042 -5.449 -2.870) 9.355 12.977 ( -6.326 -0.120 0.832) 6.381 13.219 ( -9.156 -5.721 -1.345) 10.880 13.657 ( -2.013 0.344 -1.156) 2.347 13.883 ( 3.358 -0.222 -6.752) 7.544 14.052 ( 0.239 -2.122 -3.855) 4.407 14.232 ( 1.079 1.500 3.106) 3.614 14.500 ( -5.472 -2.277 2.636) 6.487 15.201 ( 5.449 10.290 -11.706) 16.511 15.979 ( -5.211 -0.671 -0.086) 5.255 16.370 ( 2.080 -17.191 21.724) 27.781 16.602 ( -3.198 -0.505 2.840) 4.307 17.305 ( 0.429 3.229 -11.510) 11.962 17.721 ( 1.184 15.397 4.026) 15.959 18.196 ( 7.091 -9.662 -3.440) 12.468 18.647 ( -9.455 -0.045 6.222) 11.319 19.568 ( 7.488 -3.552 -0.850) 8.331 19.808 ( 4.874 7.644 -4.220) 10.000 19.973 ( 10.250 5.386 -1.044) 11.625 20.524 ( 0.119 4.486 -3.843) 5.908 21.155 ( 1.545 -5.231 2.659) 6.068 21.205 ( -10.779 -9.183 6.599) 15.622 21.540 ( -1.913 0.993 6.445) 6.796 21.938 ( -5.785 1.255 3.422) 6.838 22.573 ( 4.295 0.616 -9.854) 10.767 22.928 ( -4.155 -2.286 -1.709) 5.041 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 6.293 11.663 2.731) 13.531 2.023 ( -11.099 -11.010 -10.466) 18.814 2.442 ( -2.701 -3.776 10.036) 11.058 2.737 ( 2.709 -2.542 -4.621) 5.929 2.859 ( 6.832 -0.765 7.412) 10.109 2.923 ( -5.659 -4.624 -0.154) 7.310 3.151 ( -3.250 0.640 0.540) 3.356 3.496 ( -4.866 10.004 -7.058) 13.175 3.710 ( -9.849 -2.738 2.033) 10.423 3.838 ( 4.993 -4.880 5.500) 8.888 4.138 ( -3.419 -1.269 2.001) 4.159 4.253 ( -15.287 -7.123 -5.513) 17.744 4.382 ( 4.571 -7.259 2.838) 9.036 4.578 ( -1.133 9.419 3.151) 9.997 4.821 ( -6.587 -3.310 -1.502) 7.524 4.905 ( 5.293 3.826 -3.722) 7.517 4.965 ( -0.712 -4.890 7.390) 8.890 5.166 ( 2.004 -0.477 -3.282) 3.875 5.382 ( 8.033 2.828 1.971) 8.741 5.490 ( 5.614 0.617 -2.651) 6.239 5.562 ( 5.038 1.227 -1.425) 5.378 5.634 ( 5.127 1.769 1.416) 5.605 5.740 ( 1.018 2.128 3.528) 4.243 5.812 ( -0.827 1.818 1.362) 2.417 5.958 ( -2.892 2.649 -2.832) 4.837 6.240 ( -6.159 -2.294 -0.902) 6.634 6.520 ( 3.262 3.034 1.098) 4.588 6.621 ( 2.486 1.452 3.853) 4.810 6.870 ( -5.057 -5.830 0.236) 7.721 7.512 ( -1.563 5.941 0.516) 6.165 7.692 ( -0.960 -2.892 -0.571) 3.100 8.222 ( 8.019 2.684 -1.794) 8.645 8.529 ( -4.898 -7.819 0.445) 9.237 8.771 ( 0.001 2.950 -1.736) 3.422 8.942 ( 1.255 0.443 -6.176) 6.318 9.192 ( -2.412 2.986 -8.997) 9.782 9.342 ( 3.018 8.549 -1.359) 9.168 9.517 ( 1.044 -2.032 -0.345) 2.311 9.603 ( -0.918 -0.096 0.700) 1.158 9.929 ( -1.070 -7.678 -2.042) 8.017 10.137 ( 2.480 1.937 9.167) 9.692 10.248 ( 4.929 -1.432 -4.768) 7.006 10.580 ( 7.455 4.611 -1.993) 8.989 10.943 ( -3.489 -0.723 7.013) 7.866 11.430 ( -3.046 -5.195 -4.741) 7.664 11.537 ( -5.252 3.073 8.586) 10.524 11.986 ( -5.538 -4.371 -0.560) 7.077 12.071 ( 0.795 2.488 2.885) 3.892 12.529 ( -3.982 -3.476 1.232) 5.427 12.806 ( 3.124 -5.177 -3.825) 7.154 12.850 ( 5.566 8.012 2.722) 10.129 13.212 ( 7.615 8.556 -1.738) 11.585 13.655 ( -0.103 3.924 -0.785) 4.003 13.849 ( -0.523 -5.097 -7.365) 8.972 13.975 ( -4.202 -1.689 -4.509) 6.391 14.333 ( 5.246 2.507 4.736) 7.500 14.406 ( -3.800 -0.703 0.418) 3.887 15.323 ( 1.954 8.503 -12.083) 14.903 15.930 ( 1.155 0.355 2.182) 2.494 16.402 ( 9.156 -15.076 20.117) 26.755 16.615 ( 2.555 1.855 3.101) 4.425 17.218 ( -8.560 4.022 -10.474) 14.112 17.945 ( 2.247 13.396 8.068) 15.798 18.190 ( 2.924 -5.185 -3.425) 6.868 18.486 ( -7.184 -3.948 0.092) 8.198 19.415 ( -9.958 -12.254 -0.004) 15.790 19.829 ( -6.024 1.728 -3.544) 7.200 20.215 ( 8.825 -0.038 3.429) 9.468 20.396 ( -8.766 -3.373 -11.371) 14.748 20.913 ( -14.716 -8.122 7.919) 18.581 21.298 ( 13.318 0.721 6.104) 14.668 21.628 ( 2.372 7.138 5.256) 9.177 21.933 ( 0.816 4.615 1.128) 4.821 22.510 ( -2.028 -3.917 -8.046) 9.176 23.020 ( 10.085 5.667 -2.131) 11.763 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -8.883 0.303 27.541) 28.940 1.353 ( 6.517 16.233 25.077) 30.575 2.064 ( 6.598 4.755 16.723) 18.596 2.451 ( -9.042 2.725 -14.319) 17.152 2.628 ( 0.396 15.140 4.609) 15.831 3.159 ( 7.228 -4.703 7.062) 11.146 3.203 ( -1.394 1.384 3.628) 4.126 3.385 ( -3.612 -2.211 2.574) 4.956 3.484 ( 5.679 2.068 -1.032) 6.131 3.614 ( -5.654 1.773 -3.228) 6.748 3.678 ( -0.339 -6.439 -3.554) 7.362 3.870 ( 1.927 5.919 -2.395) 6.669 3.992 ( -1.905 11.787 -5.086) 12.978 4.459 ( 0.068 6.388 -21.544) 22.471 4.681 ( -0.600 2.435 1.910) 3.152 5.007 ( 4.997 -4.072 -0.608) 6.475 5.060 ( -5.349 0.748 4.890) 7.286 5.154 ( 1.989 2.376 1.335) 3.374 5.322 ( -1.520 -4.321 4.398) 6.350 5.421 ( 0.024 1.934 5.076) 5.432 5.669 ( 1.180 -0.771 -4.937) 5.134 5.755 ( 0.372 1.402 -5.763) 5.943 5.853 ( -0.407 3.450 -1.893) 3.956 5.924 ( -0.449 -3.107 -3.177) 4.466 5.999 ( 1.526 2.041 0.334) 2.570 6.043 ( -1.576 4.267 -0.493) 4.575 6.716 ( 0.209 -1.339 -1.949) 2.374 7.093 ( 0.749 -20.778 8.719) 22.546 7.526 ( 0.617 -12.847 7.340) 14.809 7.622 ( -5.607 0.707 -8.816) 10.472 7.673 ( 1.780 1.800 -10.691) 10.987 7.889 ( 3.258 -6.374 -2.924) 7.733 8.563 ( -1.889 -2.977 0.676) 3.590 8.877 ( 18.948 4.931 0.512) 19.586 8.963 ( -6.811 3.798 7.497) 10.818 9.002 ( 6.167 -9.180 7.090) 13.137 9.135 ( -7.563 8.149 -1.998) 11.296 9.333 ( -2.179 9.389 -0.042) 9.639 9.632 ( -0.053 12.993 -2.307) 13.196 9.931 ( -6.349 -0.717 5.350) 8.333 10.004 ( 4.585 0.377 3.169) 5.586 10.557 ( -4.485 -14.876 -9.006) 17.958 11.269 ( 2.088 -8.436 -1.355) 8.796 11.292 ( 3.236 -3.395 -2.372) 5.256 11.426 ( -0.362 4.290 -6.529) 7.821 11.504 ( -1.531 7.791 -6.040) 9.977 11.672 ( -2.515 -6.703 1.461) 7.307 11.944 ( 1.098 -3.207 1.003) 3.535 12.089 ( 0.268 7.806 0.622) 7.836 12.627 ( 3.789 6.353 16.419) 18.008 13.365 ( -2.491 -5.336 5.538) 8.083 13.512 ( -0.809 -0.627 -7.346) 7.417 13.705 ( 0.359 -4.772 1.717) 5.084 13.978 ( 0.161 3.071 -1.573) 3.454 14.271 ( -2.819 5.842 2.472) 6.942 14.601 ( 1.615 -1.684 -6.153) 6.581 14.756 ( 5.370 -20.126 0.596) 20.838 14.924 ( 0.928 -4.614 0.004) 4.706 16.051 ( 0.967 15.215 -1.052) 15.282 17.066 ( -11.799 -17.465 11.986) 24.247 17.292 ( 9.795 -16.898 0.621) 19.542 17.379 ( -0.991 -23.200 -0.815) 23.236 17.775 ( -11.101 -2.365 -6.767) 13.214 18.028 ( 5.021 6.006 -1.646) 8.000 18.218 ( -2.511 19.679 -0.189) 19.839 18.703 ( 9.481 7.714 -1.595) 12.326 18.850 ( -5.231 22.226 -2.560) 22.976 18.997 ( 2.861 8.617 0.967) 9.131 19.304 ( 2.012 31.424 -0.885) 31.501 21.822 ( -1.871 -20.266 12.022) 23.638 21.970 ( -9.966 -8.003 -3.273) 13.194 22.056 ( 2.548 -2.378 4.756) 5.897 22.226 ( -1.665 -6.364 -0.089) 6.579 22.389 ( 6.405 1.503 -3.110) 7.277 23.807 ( 0.070 -12.250 -0.202) 12.252 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.544 0.584 20.822) 20.985 1.704 ( 4.766 15.953 13.815) 21.635 2.194 ( -4.406 4.142 -11.831) 13.287 2.362 ( 10.506 -1.857 -10.982) 15.311 2.946 ( 6.627 16.257 23.706) 29.499 3.163 ( -7.056 -0.747 4.421) 8.360 3.309 ( 5.848 2.205 2.689) 6.804 3.337 ( 1.905 1.219 6.127) 6.531 3.469 ( -5.956 6.197 -0.698) 8.623 3.656 ( 4.510 -2.767 -0.907) 5.368 3.674 ( 7.002 -0.792 -2.490) 7.473 4.001 ( 9.154 4.574 0.286) 10.237 4.060 ( -1.819 10.304 -3.559) 11.052 4.488 ( 4.738 7.254 -18.959) 20.845 4.692 ( -1.603 1.257 -0.871) 2.215 4.979 ( -4.519 -2.052 -4.110) 6.444 4.997 ( -3.259 2.219 6.443) 7.554 5.215 ( 4.982 -4.184 -2.223) 6.875 5.316 ( 0.298 -0.268 5.158) 5.173 5.468 ( 1.093 2.044 4.912) 5.432 5.606 ( -4.954 -0.088 -3.538) 6.088 5.754 ( -0.190 -0.541 -5.687) 5.716 5.838 ( -0.756 -4.379 -2.127) 4.926 5.934 ( 2.994 3.506 2.727) 5.357 6.065 ( 0.976 2.433 -1.101) 2.843 6.101 ( 4.803 5.783 -1.846) 7.741 6.670 ( -3.195 -3.074 -1.049) 4.556 6.814 ( -10.402 -18.193 3.210) 21.202 7.292 ( -9.103 -13.873 3.849) 17.033 7.497 ( -4.405 0.235 -0.840) 4.491 7.719 ( 5.253 0.066 -2.964) 6.032 7.938 ( 4.076 4.740 -11.924) 13.464 8.520 ( -1.154 -1.590 1.757) 2.636 8.787 ( -6.141 -6.188 -0.186) 8.720 9.106 ( 2.141 3.889 2.801) 5.249 9.180 ( 3.205 5.369 -1.468) 6.422 9.321 ( 19.672 0.215 -3.261) 19.942 9.347 ( -4.549 7.240 1.221) 8.637 9.696 ( -2.770 4.910 -3.559) 6.667 9.878 ( -2.096 2.760 7.717) 8.460 10.060 ( 0.962 -4.252 7.042) 8.283 10.235 ( -9.086 -11.222 -5.346) 15.397 11.156 ( -3.279 -11.036 -2.063) 11.696 11.292 ( -1.732 -4.616 -4.008) 6.354 11.438 ( 2.824 6.864 -3.164) 8.069 11.543 ( 0.590 -3.581 0.374) 3.649 11.623 ( 1.633 7.075 -0.112) 7.262 11.911 ( -3.522 0.262 0.387) 3.552 12.169 ( 1.802 3.541 -0.085) 3.974 12.831 ( 3.043 5.999 9.025) 11.256 13.256 ( -1.991 -7.306 2.474) 7.967 13.544 ( 3.086 4.775 -5.440) 7.869 13.671 ( 0.425 -3.683 0.998) 3.840 13.959 ( -3.154 -3.587 1.726) 5.079 14.179 ( -7.191 -9.945 5.921) 13.626 14.488 ( -6.047 -9.638 -2.864) 11.733 14.732 ( 5.025 -2.756 -3.455) 6.692 14.882 ( 0.236 4.971 -10.215) 11.362 16.267 ( 3.415 13.876 -2.186) 14.457 16.737 ( -9.806 -16.519 16.845) 25.549 16.998 ( -12.035 -17.981 5.138) 22.239 17.210 ( -4.764 -8.539 0.042) 9.778 17.578 ( 2.069 -4.119 -11.212) 12.122 18.187 ( -3.062 6.416 -0.230) 7.113 18.417 ( 10.431 10.464 5.275) 15.689 18.986 ( 3.359 20.577 -3.082) 21.076 19.028 ( 15.214 6.829 -2.417) 16.851 19.321 ( 8.357 21.722 -0.475) 23.279 19.765 ( 14.891 22.925 -5.084) 27.806 21.488 ( -9.822 -23.013 19.922) 31.984 21.765 ( -7.545 -7.340 2.092) 10.732 22.026 ( -4.314 -5.463 -5.789) 9.053 22.135 ( -1.811 -2.885 5.794) 6.721 22.436 ( 1.153 -0.362 -5.203) 5.342 23.587 ( -8.011 -14.051 -2.325) 16.341 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 7.728 4.088 8.800) 12.405 1.899 ( 1.715 6.105 -3.457) 7.222 2.230 ( 5.373 10.610 1.619) 12.002 2.496 ( 9.793 -2.013 -6.861) 12.126 3.001 ( -11.049 2.363 2.336) 11.538 3.172 ( -0.588 -1.483 8.928) 9.070 3.323 ( 1.182 -4.053 -3.079) 5.225 3.421 ( 2.894 3.814 0.006) 4.787 3.598 ( 0.857 4.560 2.238) 5.151 3.709 ( 7.685 3.651 -5.552) 10.159 3.926 ( 10.310 10.624 18.011) 23.315 4.117 ( 3.131 5.717 -2.835) 7.108 4.266 ( 10.610 6.288 8.904) 15.212 4.609 ( 8.603 5.662 -12.973) 16.565 4.647 ( -4.640 3.041 2.380) 6.036 4.815 ( -6.853 -3.292 -6.608) 10.073 5.037 ( 0.993 3.505 0.337) 3.659 5.201 ( -1.099 -4.803 3.753) 6.194 5.360 ( 1.680 1.522 -4.394) 4.944 5.438 ( -4.504 -3.022 -2.004) 5.782 5.556 ( 0.206 0.032 2.850) 2.858 5.648 ( -4.979 -5.818 -5.940) 9.692 5.787 ( -0.322 -2.965 2.109) 3.653 6.043 ( 0.672 0.322 3.668) 3.743 6.097 ( 0.798 1.113 0.058) 1.371 6.259 ( 5.165 9.279 -3.672) 11.237 6.417 ( -9.860 -8.504 6.513) 14.559 6.633 ( -1.502 -2.741 -4.466) 5.451 7.020 ( -8.496 -10.173 1.053) 13.296 7.463 ( -0.261 -0.527 2.799) 2.861 7.821 ( 5.809 1.509 -1.312) 6.144 7.981 ( 0.230 5.786 -12.861) 14.104 8.521 ( 1.988 -0.504 2.585) 3.300 8.665 ( -0.019 -5.963 -2.481) 6.458 9.133 ( -3.270 -6.515 -6.660) 9.874 9.206 ( 1.897 9.118 -1.726) 9.472 9.327 ( -7.713 4.073 0.717) 8.752 9.486 ( 3.456 -5.758 -4.373) 8.014 9.776 ( 4.582 7.089 2.066) 8.690 9.870 ( -0.180 -3.152 0.300) 3.171 10.036 ( 2.533 -9.075 10.988) 14.474 10.079 ( -5.285 5.871 1.676) 8.075 10.924 ( -8.185 -10.727 -3.335) 13.899 11.161 ( -5.147 -3.637 -1.318) 6.439 11.514 ( 4.033 -2.305 1.920) 5.027 11.635 ( 5.056 3.782 0.657) 6.348 11.763 ( 4.666 8.234 -3.702) 10.163 11.848 ( -3.877 5.319 1.500) 6.751 12.243 ( 2.934 2.807 1.620) 4.371 12.885 ( -0.092 -3.498 -0.688) 3.566 13.138 ( -6.101 -7.453 2.681) 9.998 13.570 ( -3.757 1.196 -2.999) 4.954 13.692 ( 1.660 1.243 -0.282) 2.092 13.813 ( -4.686 -6.242 0.972) 7.866 14.000 ( -1.412 -8.568 1.759) 8.860 14.293 ( -3.686 -6.996 -2.255) 8.222 14.672 ( -3.894 -5.377 3.258) 7.395 15.013 ( 6.538 12.224 -15.678) 20.927 16.287 ( -11.167 5.196 2.626) 12.593 16.518 ( -4.564 -19.539 12.457) 23.617 16.721 ( -4.729 -9.814 4.566) 11.812 17.156 ( 0.168 9.818 0.302) 9.824 17.594 ( 9.764 -7.394 -8.763) 15.059 18.177 ( -7.886 14.338 1.987) 16.484 18.753 ( 14.120 0.199 10.452) 17.569 19.177 ( -0.660 13.544 -8.464) 15.985 19.377 ( 15.647 10.952 0.015) 19.100 19.685 ( 7.655 19.150 -3.766) 20.965 20.159 ( 16.298 5.246 -5.661) 18.033 21.301 ( -4.118 -6.848 18.299) 19.967 21.534 ( -10.005 -9.855 5.491) 15.079 21.793 ( -9.288 -8.081 -1.658) 12.423 22.125 ( -1.737 -0.107 3.727) 4.114 22.407 ( 1.419 -2.323 -8.515) 8.939 23.261 ( -10.627 -12.652 -3.777) 16.949 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 7.353 11.711 2.237) 14.008 1.974 ( 7.220 -3.001 -1.571) 7.975 2.466 ( 5.916 2.129 1.557) 6.477 2.579 ( 4.100 0.402 -1.139) 4.274 2.837 ( -8.955 5.057 -0.231) 10.287 3.175 ( -0.660 0.204 5.188) 5.234 3.238 ( -5.082 -5.738 -2.154) 7.962 3.510 ( 5.303 1.036 -1.782) 5.689 3.598 ( 1.672 -1.471 -4.369) 4.904 3.921 ( 9.798 3.253 0.132) 10.324 4.047 ( -6.656 7.980 4.902) 11.490 4.341 ( 5.090 2.296 4.598) 7.234 4.525 ( 3.887 2.219 10.143) 11.087 4.652 ( -3.727 -1.823 -4.456) 6.088 4.679 ( 2.264 8.288 2.217) 8.873 4.802 ( 11.595 2.296 0.219) 11.822 5.051 ( -2.338 0.021 -5.220) 5.720 5.165 ( 0.896 -1.757 4.745) 5.139 5.273 ( -6.503 -0.139 -2.823) 7.090 5.350 ( -1.539 -1.166 -7.448) 7.694 5.494 ( -4.114 -1.942 -2.238) 5.070 5.584 ( 3.533 -3.082 1.951) 5.079 5.786 ( 0.909 -1.513 4.795) 5.110 5.886 ( -10.775 -0.436 0.078) 10.784 6.138 ( -1.555 1.549 -0.051) 2.196 6.371 ( 0.173 0.930 -2.751) 2.909 6.393 ( 2.991 2.531 7.709) 8.648 6.591 ( 0.024 -0.089 -2.169) 2.171 6.835 ( -0.163 -7.702 -2.256) 8.027 7.497 ( 1.619 3.209 2.799) 4.556 7.931 ( -4.285 3.289 0.704) 5.448 7.938 ( 4.768 -0.612 -8.283) 9.577 8.577 ( 5.422 -7.866 -2.122) 9.786 8.653 ( 2.421 3.992 0.420) 4.687 8.999 ( 0.193 -6.201 -3.350) 7.051 9.125 ( -10.210 -6.350 -3.290) 12.466 9.347 ( 2.010 10.725 -2.497) 11.194 9.419 ( 1.649 -5.119 -7.800) 9.475 9.805 ( -4.969 -0.462 0.686) 5.038 9.948 ( 4.227 5.995 2.747) 7.833 10.043 ( -2.899 3.274 2.183) 4.888 10.139 ( 4.249 0.567 8.621) 9.628 10.657 ( -8.035 -8.861 -2.795) 12.284 11.053 ( -3.767 -1.846 2.658) 4.966 11.589 ( -5.324 -2.367 -2.806) 6.467 11.607 ( 3.061 2.180 4.623) 5.958 11.904 ( 7.104 -3.495 -2.759) 8.384 11.992 ( 4.813 13.300 2.656) 14.391 12.378 ( 6.893 7.651 1.466) 10.401 12.745 ( -8.471 -7.244 -4.032) 11.853 12.977 ( -0.016 -7.308 1.207) 7.407 13.347 ( -14.665 -8.512 0.943) 16.983 13.701 ( -1.707 3.287 0.831) 3.796 13.773 ( 3.797 -4.354 -6.081) 8.387 13.988 ( 3.499 -0.257 -2.249) 4.167 14.210 ( 1.138 -4.625 1.241) 4.922 14.559 ( -4.205 -4.586 1.537) 6.409 15.177 ( 5.207 11.132 -11.795) 17.034 16.126 ( -10.146 1.385 -0.720) 10.266 16.324 ( -4.389 -12.475 20.132) 24.087 16.594 ( -0.730 -8.357 0.962) 8.443 17.292 ( 0.687 11.052 -9.721) 14.735 17.713 ( 12.599 -4.923 4.879) 14.380 18.233 ( -6.599 19.024 3.409) 20.422 18.829 ( -7.986 -2.246 2.330) 8.617 19.342 ( 13.680 2.536 -6.587) 15.393 19.736 ( 10.157 10.715 2.281) 14.940 19.880 ( 4.127 3.431 -4.802) 7.202 20.435 ( 12.100 0.986 -3.125) 12.536 21.180 ( -9.823 -2.445 -0.579) 10.140 21.336 ( -7.273 -6.146 10.391) 14.094 21.634 ( -3.086 -0.586 10.951) 11.393 22.067 ( -6.291 0.101 1.960) 6.590 22.405 ( 6.795 -3.574 -11.833) 14.105 22.969 ( -7.127 -8.451 -2.243) 11.280 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 6.824 15.441 0.963) 16.910 2.016 ( -0.009 -6.680 -5.321) 8.540 2.361 ( -0.256 -11.963 1.287) 12.035 2.763 ( 1.649 8.377 4.314) 9.566 2.815 ( 1.454 2.043 2.577) 3.595 2.985 ( -11.477 -7.317 -1.994) 13.757 3.215 ( 0.001 1.527 3.085) 3.442 3.556 ( 0.524 2.715 -8.775) 9.201 3.676 ( 8.372 -1.910 3.005) 9.098 3.912 ( -8.091 -1.766 1.541) 8.424 4.148 ( 2.807 5.185 5.945) 8.373 4.360 ( -4.355 0.147 1.833) 4.727 4.407 ( -10.525 -8.347 1.020) 13.471 4.663 ( 2.994 2.099 -0.473) 3.687 4.777 ( 3.686 2.343 -5.947) 7.379 4.901 ( -6.949 -4.850 1.932) 8.692 4.974 ( 1.847 -1.951 3.838) 4.685 5.193 ( -4.645 4.570 -2.445) 6.960 5.268 ( 7.394 1.134 2.725) 7.961 5.393 ( 4.182 3.927 -5.753) 8.125 5.478 ( 5.402 4.379 -0.846) 7.006 5.608 ( 0.697 -1.717 0.959) 2.087 5.759 ( -1.189 -1.141 6.203) 6.418 5.843 ( 0.835 1.707 2.479) 3.124 6.074 ( -6.293 4.051 -2.622) 7.930 6.288 ( -4.014 -3.440 -5.157) 7.385 6.506 ( 3.552 1.779 5.164) 6.515 6.608 ( 1.430 1.944 0.308) 2.433 6.794 ( 2.932 -10.351 -0.135) 10.759 7.616 ( 1.479 9.932 1.521) 10.156 7.752 ( -9.036 -2.877 -2.123) 9.718 8.080 ( 9.139 0.702 -0.260) 9.170 8.525 ( -1.106 -7.182 1.159) 7.359 8.756 ( 0.984 0.935 -1.062) 1.723 8.919 ( -1.662 0.275 -5.786) 6.026 9.038 ( 8.825 -2.354 -0.587) 9.152 9.343 ( 2.865 -8.832 -0.838) 9.323 9.498 ( 1.444 11.550 -13.174) 17.579 9.711 ( -5.761 1.288 2.907) 6.580 9.951 ( -7.227 -0.403 0.171) 7.241 10.097 ( 3.963 2.136 -2.926) 5.369 10.242 ( -0.304 2.661 9.592) 9.959 10.506 ( 1.528 -1.690 -2.394) 3.305 11.024 ( -1.345 1.111 7.547) 7.746 11.424 ( -6.191 -4.599 -4.782) 9.074 11.689 ( -1.446 2.930 7.962) 8.606 11.905 ( 1.848 -7.630 -2.633) 8.280 12.210 ( 0.643 12.228 3.402) 12.709 12.479 ( 1.122 -7.507 -3.388) 8.312 12.683 ( 4.852 5.971 2.860) 8.208 12.930 ( -7.104 -1.968 -1.150) 7.460 13.091 ( 6.654 -5.168 -1.716) 8.598 13.681 ( 0.317 -3.136 -2.093) 3.784 13.775 ( 0.469 -0.216 -3.440) 3.479 14.004 ( -1.654 1.472 -5.621) 6.042 14.256 ( 6.073 -1.819 5.225) 8.215 14.448 ( -3.375 -3.905 -0.605) 5.197 15.329 ( 4.023 11.429 -10.413) 15.976 15.971 ( -5.524 -3.022 0.625) 6.328 16.293 ( 0.303 -4.942 20.698) 21.282 16.549 ( 3.610 -5.100 0.237) 6.253 17.280 ( -3.611 2.297 -13.353) 14.022 17.936 ( 9.693 -1.361 11.931) 15.432 18.354 ( -6.542 21.890 6.398) 23.726 18.590 ( -10.920 -3.056 -10.052) 15.153 19.429 ( -2.138 -7.684 -1.649) 8.144 19.924 ( -1.288 6.716 1.370) 6.975 19.981 ( 12.510 -4.950 -1.968) 13.597 20.460 ( -5.835 -4.428 -5.204) 8.985 21.107 ( -2.878 -0.216 3.102) 4.237 21.180 ( -2.431 -1.084 6.192) 6.740 21.709 ( 0.659 4.832 12.422) 13.345 21.966 ( -3.186 0.363 -3.937) 5.078 22.416 ( 3.167 -4.952 -9.018) 10.765 22.892 ( 5.652 -0.690 -1.534) 5.897 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -3.787 10.283 17.658) 20.782 1.478 ( -3.438 7.023 16.127) 17.923 2.029 ( -2.317 4.125 -13.379) 14.191 2.565 ( -7.076 1.904 -14.454) 16.205 2.985 ( 0.178 8.898 23.803) 25.412 3.039 ( -2.715 4.341 8.878) 10.248 3.266 ( -0.258 0.619 4.280) 4.333 3.346 ( 4.001 3.319 2.932) 5.968 3.437 ( 1.816 1.063 1.308) 2.478 3.624 ( -3.885 -5.321 -0.859) 6.644 3.797 ( -10.348 4.697 -4.180) 12.109 3.966 ( -2.878 8.307 0.275) 8.796 4.136 ( -4.234 9.955 -4.180) 11.598 4.496 ( -4.548 6.956 -16.902) 18.835 4.725 ( 0.207 2.589 -4.446) 5.149 4.857 ( 2.768 -3.968 -0.580) 4.873 5.071 ( 6.963 4.104 4.060) 9.045 5.217 ( -5.490 -3.196 -1.701) 6.576 5.335 ( -0.956 -2.847 6.834) 7.465 5.466 ( -0.562 2.294 5.273) 5.778 5.575 ( 4.557 -0.854 -5.798) 7.424 5.736 ( -0.419 -1.080 -5.593) 5.712 5.851 ( 0.191 -3.194 -2.483) 4.050 5.967 ( -3.360 4.264 0.853) 5.495 6.023 ( -1.125 4.961 -0.371) 5.101 6.144 ( -3.590 4.787 -0.319) 5.992 6.643 ( 5.343 -6.642 -1.472) 8.650 6.805 ( 8.696 -16.841 4.330) 19.442 7.268 ( 10.156 -15.659 6.259) 19.685 7.589 ( 3.571 5.175 -5.297) 8.222 7.694 ( -3.625 -5.050 -8.338) 10.401 7.838 ( -0.434 4.003 -0.799) 4.105 8.589 ( -5.325 -7.864 3.032) 9.970 8.623 ( 8.196 -1.428 0.570) 8.339 8.922 ( -1.235 -4.139 5.392) 6.909 9.151 ( -2.524 5.083 2.621) 6.251 9.325 ( -5.710 2.196 -1.067) 6.210 9.432 ( -4.830 7.144 -2.259) 8.914 9.760 ( -1.197 8.103 -1.746) 8.375 9.862 ( 9.724 -3.336 0.553) 10.295 10.090 ( -7.221 2.696 5.348) 9.381 10.403 ( 5.998 -6.107 -7.778) 11.566 11.113 ( 2.249 -10.924 -2.635) 11.460 11.222 ( 1.312 -3.127 0.143) 3.394 11.426 ( 1.640 0.373 -0.790) 1.858 11.560 ( -1.356 5.051 -3.656) 6.381 11.669 ( -0.986 -1.778 1.663) 2.626 11.900 ( 0.467 -0.248 -0.587) 0.790 12.164 ( -0.280 4.926 0.579) 4.968 12.678 ( 1.845 1.325 13.061) 13.257 13.370 ( 0.911 -3.733 0.787) 3.923 13.531 ( -2.664 3.466 -5.398) 6.946 13.683 ( -2.544 -1.753 -0.063) 3.090 13.962 ( 0.916 -3.832 1.193) 4.116 14.271 ( 8.144 -15.135 6.506) 18.378 14.458 ( 5.511 -12.355 -1.197) 13.582 14.582 ( -5.473 8.885 -7.229) 12.695 14.816 ( 4.559 -3.694 0.220) 5.872 16.212 ( -0.609 11.085 0.331) 11.107 16.915 ( 6.240 -18.712 6.282) 20.701 17.053 ( 8.378 -12.037 3.016) 14.972 17.212 ( -2.453 -3.059 -0.746) 3.991 17.590 ( 12.696 -3.221 -9.684) 16.290 18.313 ( -18.871 2.461 -6.004) 19.955 18.452 ( -0.719 18.190 1.954) 18.309 18.741 ( -3.082 9.094 7.456) 12.157 19.015 ( -4.947 12.384 -0.288) 13.339 19.372 ( -15.991 19.673 -2.078) 25.437 19.632 ( -8.345 18.168 0.854) 20.011 21.661 ( 4.748 -12.697 6.491) 15.029 21.950 ( 7.393 -5.071 11.395) 14.499 22.009 ( 2.326 -4.899 -7.680) 9.402 22.123 ( 2.573 -4.804 -0.577) 5.480 22.289 ( 0.390 -3.142 -1.474) 3.493 23.583 ( 8.098 -14.190 -2.255) 16.493 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -11.023 2.011 12.704) 16.940 1.847 ( 9.972 12.448 12.095) 20.017 2.050 ( 4.076 7.972 -11.831) 14.837 2.408 ( -6.957 5.023 -9.421) 12.743 3.086 ( 2.458 0.117 2.353) 3.405 3.185 ( 1.853 1.391 16.412) 16.574 3.323 ( 0.858 6.716 6.406) 9.321 3.375 ( -2.311 -0.248 0.552) 2.389 3.497 ( 3.635 -5.687 -4.515) 8.121 3.651 ( 0.498 12.468 5.217) 13.525 3.688 ( -4.718 9.640 8.491) 13.686 3.975 ( -1.217 6.220 -2.613) 6.856 4.178 ( -0.880 10.615 -5.069) 11.796 4.474 ( -0.895 9.131 -13.883) 16.641 4.709 ( -0.751 0.369 -2.634) 2.763 4.926 ( 7.812 -1.011 -4.326) 8.986 5.072 ( -4.910 -3.498 -3.805) 7.129 5.164 ( -2.688 -0.621 4.643) 5.400 5.329 ( 0.215 -0.894 6.156) 6.224 5.501 ( 0.721 1.790 5.288) 5.629 5.629 ( 3.256 -0.258 -4.823) 5.825 5.682 ( -0.671 -3.248 -7.925) 8.591 5.807 ( 0.021 -2.526 -0.334) 2.548 5.972 ( -1.429 1.728 3.544) 4.194 6.071 ( -0.879 6.822 -2.200) 7.222 6.140 ( -1.192 5.701 -0.763) 5.874 6.636 ( 2.379 -8.585 0.792) 8.943 6.711 ( -0.140 -15.144 -0.084) 15.145 7.211 ( 0.965 -18.180 4.435) 18.738 7.587 ( -1.798 -0.776 -3.857) 4.325 7.642 ( -0.898 3.476 -3.375) 4.927 7.882 ( 2.404 4.134 -3.894) 6.167 8.515 ( -1.796 -1.120 -0.995) 2.339 8.837 ( 9.973 -6.020 1.756) 11.780 8.956 ( 8.318 0.262 5.717) 10.096 9.125 ( -3.171 3.780 6.360) 8.050 9.209 ( -1.468 2.143 -5.665) 6.232 9.493 ( -1.849 5.760 -0.098) 6.050 9.797 ( -3.329 5.941 -6.288) 9.269 9.938 ( 4.369 -6.183 4.210) 8.662 9.974 ( -5.987 -5.673 1.103) 8.321 10.316 ( -4.813 -0.251 -1.890) 5.176 11.037 ( 2.178 -12.216 -0.440) 12.417 11.212 ( 0.898 -3.903 -1.451) 4.260 11.501 ( 3.130 6.806 -0.754) 7.529 11.546 ( -5.175 -4.183 2.445) 7.089 11.631 ( 1.239 4.742 -1.458) 5.114 11.905 ( 2.500 1.919 -2.136) 3.807 12.227 ( -1.230 5.587 -1.288) 5.864 12.846 ( 4.293 2.150 8.675) 9.915 13.263 ( -4.458 -5.308 -0.356) 6.941 13.540 ( 0.729 4.435 -4.245) 6.183 13.605 ( 0.076 -5.184 2.491) 5.752 13.952 ( 1.332 -4.633 1.847) 5.162 14.181 ( -1.158 -19.382 5.768) 20.255 14.407 ( 0.579 -8.669 -1.272) 8.781 14.619 ( 2.213 5.736 -2.970) 6.828 14.846 ( 2.070 0.291 -5.380) 5.772 16.319 ( 0.724 7.540 -3.694) 8.428 16.827 ( -0.686 -13.362 10.343) 16.911 16.975 ( -4.636 -13.296 0.490) 14.089 17.066 ( 1.881 -8.432 2.201) 8.915 17.663 ( -9.522 0.946 -11.745) 15.149 18.071 ( 5.322 1.399 -0.156) 5.505 18.634 ( -4.529 14.620 7.430) 17.013 18.945 ( 7.189 14.850 2.132) 16.636 19.174 ( -0.124 12.000 -3.623) 12.536 19.323 ( 1.744 23.159 -3.478) 23.483 19.899 ( 3.153 25.391 -0.028) 25.586 21.488 ( -6.446 -20.052 12.670) 24.580 21.831 ( -7.311 -5.360 -1.082) 9.130 21.969 ( 0.588 -8.781 -4.527) 9.897 22.134 ( 1.630 -4.202 9.279) 10.315 22.338 ( 4.718 -1.935 -6.425) 8.203 23.482 ( 0.134 -17.290 -2.395) 17.455 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 2.150 0.950 5.880) 6.332 2.033 ( -4.640 11.680 -2.933) 12.905 2.219 ( 8.298 8.901 -5.930) 13.537 2.409 ( 0.143 8.119 4.796) 9.431 3.121 ( 2.176 -5.744 1.335) 6.286 3.188 ( -0.312 -1.763 7.781) 7.984 3.284 ( -6.351 -2.489 -9.410) 11.622 3.395 ( 2.145 -0.566 2.313) 3.205 3.604 ( 5.288 4.827 -1.576) 7.331 3.661 ( -1.410 6.066 -0.671) 6.264 3.946 ( 5.951 11.632 12.523) 18.098 4.177 ( 9.856 14.554 12.010) 21.289 4.242 ( -2.278 9.185 -0.462) 9.475 4.529 ( 3.816 7.440 -10.094) 13.107 4.686 ( -0.158 -0.846 -6.142) 6.202 4.909 ( -6.883 -0.153 -2.520) 7.331 5.067 ( 3.245 1.544 -0.876) 3.699 5.122 ( 1.924 -2.256 0.198) 2.971 5.307 ( 0.043 -4.991 3.226) 5.943 5.520 ( -4.898 -0.151 -1.952) 5.275 5.570 ( -2.997 -3.478 -0.086) 4.592 5.652 ( 0.749 0.060 -4.521) 4.583 5.769 ( -1.994 -4.499 2.777) 5.650 5.992 ( 3.916 -2.858 0.228) 4.854 6.089 ( 0.127 1.377 1.212) 1.838 6.251 ( 4.784 8.733 -3.777) 10.650 6.484 ( -5.797 -10.161 3.712) 12.274 6.624 ( -1.316 -1.415 -3.192) 3.731 7.019 ( -4.741 -13.725 1.371) 14.585 7.508 ( -3.565 -0.173 2.609) 4.421 7.712 ( 5.149 2.492 -5.909) 8.224 7.958 ( 3.066 4.917 -5.733) 8.151 8.468 ( -0.964 -1.816 -2.393) 3.155 8.752 ( -7.429 -0.419 4.570) 8.732 9.115 ( 0.366 -2.277 -7.636) 7.977 9.196 ( 2.779 0.933 -1.740) 3.409 9.301 ( 9.591 2.350 -0.985) 9.924 9.497 ( -3.733 0.038 6.644) 7.620 9.759 ( 0.547 -1.866 -1.283) 2.330 9.802 ( 0.525 -3.372 -0.850) 3.517 9.944 ( 0.231 -6.990 5.536) 8.920 10.291 ( -4.335 8.229 2.690) 9.682 10.905 ( -3.244 -11.761 -0.553) 12.213 11.157 ( -0.436 -5.159 -1.982) 5.544 11.453 ( -0.568 -2.381 1.225) 2.737 11.610 ( 0.124 6.981 -0.812) 7.029 11.734 ( 5.910 3.166 1.104) 6.795 12.021 ( 0.045 12.165 -3.019) 12.535 12.219 ( -0.172 1.729 -0.910) 1.961 12.816 ( -3.004 -7.778 -1.881) 8.547 13.188 ( -3.034 -4.950 2.990) 6.531 13.569 ( 3.482 -0.903 -2.477) 4.367 13.633 ( 2.380 -1.522 1.835) 3.368 13.914 ( -1.470 -2.737 2.134) 3.769 13.931 ( -7.301 -14.059 4.528) 16.476 14.277 ( -4.607 -5.663 -3.210) 7.975 14.671 ( -0.357 -4.888 2.960) 5.725 14.918 ( 7.354 8.597 -11.957) 16.461 16.309 ( 0.696 -8.438 -3.493) 9.158 16.694 ( -11.860 -1.393 13.311) 17.883 16.750 ( -7.665 -9.321 2.033) 12.238 17.148 ( 10.775 -0.793 8.069) 13.485 17.440 ( -6.298 3.284 -17.018) 18.441 18.300 ( 11.544 2.975 4.989) 12.923 18.718 ( -1.703 11.946 4.549) 12.896 19.162 ( 2.492 7.294 -1.617) 7.876 19.372 ( 6.825 19.296 -3.963) 20.848 19.719 ( 15.541 17.351 -1.341) 23.332 20.067 ( -5.936 11.497 -4.756) 13.785 21.338 ( 1.576 -8.478 18.132) 20.078 21.632 ( -8.894 -6.762 0.984) 11.216 21.809 ( -4.201 -11.503 -2.882) 12.580 22.146 ( -0.103 -1.862 5.908) 6.196 22.325 ( 0.343 -3.030 -8.380) 8.917 23.244 ( -5.505 -15.882 -2.666) 17.019 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 12.547 2.058 2.259) 12.914 2.007 ( -6.943 9.643 -2.147) 12.075 2.454 ( 7.381 9.204 0.688) 11.818 2.493 ( -0.019 1.412 2.992) 3.309 3.040 ( -7.557 1.020 -2.880) 8.151 3.163 ( 2.121 -4.998 -1.788) 5.716 3.239 ( 2.266 -1.674 4.517) 5.323 3.398 ( 0.787 -1.858 -1.453) 2.487 3.581 ( -2.280 1.289 -5.890) 6.446 3.835 ( 6.376 5.488 2.944) 8.913 4.162 ( 5.150 3.532 -4.355) 7.613 4.299 ( 1.064 7.684 6.784) 10.305 4.576 ( 1.467 4.204 14.225) 14.906 4.613 ( -0.593 -1.021 -6.967) 7.066 4.662 ( 9.443 6.247 1.759) 11.458 4.818 ( -3.762 6.858 -1.035) 7.890 5.077 ( -0.219 1.495 -1.432) 2.082 5.144 ( -0.412 -1.960 1.958) 2.801 5.333 ( 4.099 -0.686 -2.403) 4.801 5.375 ( -6.533 -0.649 -3.139) 7.277 5.461 ( -2.051 -5.583 -0.809) 6.003 5.588 ( -5.295 0.229 -0.303) 5.308 5.747 ( 2.923 -3.466 3.445) 5.694 6.001 ( -0.865 -3.079 -2.695) 4.183 6.129 ( 2.691 -0.760 -0.646) 2.870 6.322 ( 0.088 -4.646 5.358) 7.093 6.451 ( 2.261 8.694 -1.064) 9.046 6.562 ( -1.762 -1.540 -2.321) 3.296 6.797 ( -6.295 -9.087 -1.765) 11.194 7.516 ( 1.472 3.751 2.767) 4.889 7.789 ( 5.882 -0.413 -7.635) 9.647 8.021 ( -1.121 3.214 -0.834) 3.505 8.426 ( 0.909 -2.475 -4.709) 5.397 8.694 ( -1.700 2.292 2.292) 3.660 9.006 ( -4.622 -0.431 -2.973) 5.513 9.162 ( -3.843 -10.071 -0.715) 10.803 9.366 ( -2.440 -0.524 -5.755) 6.272 9.395 ( -0.862 1.501 -1.153) 2.080 9.855 ( -1.454 -2.461 3.406) 4.447 9.886 ( 10.747 -6.809 10.544) 16.524 9.946 ( 5.743 8.602 -0.734) 10.369 10.310 ( -4.567 8.629 1.644) 9.901 10.692 ( -7.346 -9.613 -1.252) 12.164 11.097 ( -1.465 -2.916 3.278) 4.625 11.500 ( 5.916 -0.062 0.400) 5.929 11.661 ( -0.582 1.852 -0.181) 1.950 11.784 ( 0.125 -2.776 -7.641) 8.131 12.104 ( -0.578 15.188 1.191) 15.246 12.352 ( 6.291 7.436 1.447) 9.847 12.686 ( 0.775 -8.523 -4.445) 9.644 12.994 ( -9.335 -9.604 1.750) 13.507 13.517 ( -11.659 -7.402 0.802) 13.833 13.581 ( 4.949 -13.723 -3.767) 15.067 13.789 ( -1.722 0.938 4.451) 4.864 13.942 ( 2.064 5.825 1.317) 6.319 14.153 ( -1.631 -3.477 -2.847) 4.781 14.575 ( -3.358 -6.337 1.139) 7.261 15.117 ( 8.297 9.079 -8.597) 15.006 16.180 ( -2.101 -11.296 -0.361) 11.495 16.530 ( -12.435 0.989 16.929) 21.029 16.550 ( -5.682 -5.261 -2.450) 8.122 17.352 ( 2.118 -0.911 -16.931) 17.088 17.453 ( 12.171 8.696 10.441) 18.242 18.520 ( 2.715 9.130 8.576) 12.817 18.890 ( 2.918 9.499 4.378) 10.859 19.140 ( 0.030 -3.197 -13.673) 14.041 19.693 ( 9.367 12.653 -0.859) 15.766 19.963 ( -8.589 7.090 2.422) 11.398 20.175 ( 17.825 7.642 -2.868) 19.605 21.350 ( -12.018 -4.477 -4.330) 13.536 21.409 ( -2.176 -5.490 9.380) 11.084 21.677 ( 1.294 -6.190 12.525) 14.031 22.164 ( 2.431 -0.035 -0.033) 2.432 22.222 ( -3.619 -3.377 -9.666) 10.860 22.980 ( -6.467 -11.533 -1.429) 13.299 ======================= Grid point 207 (103/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 15.551 0.406 -2.844) 15.814 2.013 ( -3.325 8.950 6.169) 11.367 2.364 ( -9.293 -4.852 -4.374) 11.359 2.705 ( 9.265 4.568 5.678) 11.787 2.934 ( -5.651 1.636 -2.768) 6.502 3.165 ( -7.568 0.185 1.897) 7.804 3.176 ( 0.652 -2.032 -1.176) 2.436 3.479 ( 8.577 -1.127 -0.428) 8.661 3.548 ( 0.971 0.427 -4.285) 4.414 3.944 ( 1.720 -0.349 1.484) 2.298 4.243 ( 0.440 7.279 0.913) 7.350 4.413 ( 2.171 1.742 1.397) 3.114 4.492 ( -4.651 -10.038 5.529) 12.368 4.516 ( -2.490 -4.808 -4.461) 7.015 4.815 ( 0.432 5.981 -3.454) 6.920 4.946 ( 2.643 1.729 5.947) 6.734 5.023 ( -8.517 0.713 0.230) 8.550 5.183 ( 5.191 0.649 3.102) 6.082 5.302 ( -2.158 5.555 -3.102) 6.719 5.384 ( 1.830 7.366 -4.197) 8.673 5.449 ( -0.276 -1.539 0.389) 1.611 5.536 ( 3.973 -2.873 1.933) 5.270 5.800 ( 1.844 -2.917 7.757) 8.490 5.886 ( -5.969 0.145 -1.914) 6.270 6.138 ( 1.102 0.409 -4.530) 4.680 6.322 ( -3.433 -0.304 -1.544) 3.776 6.457 ( 1.277 -2.335 1.229) 2.931 6.615 ( 5.471 -1.949 1.487) 5.995 6.636 ( -2.716 -3.828 -2.019) 5.110 7.659 ( 4.988 9.731 1.119) 10.992 7.858 ( 0.929 -0.818 -4.494) 4.661 7.941 ( -1.563 -3.598 1.849) 4.337 8.424 ( 3.252 -1.850 -3.489) 5.115 8.740 ( 2.666 -0.974 1.528) 3.224 8.955 ( -5.725 -4.260 -2.903) 7.704 8.974 ( -0.356 3.018 2.183) 3.742 9.243 ( -3.184 -5.043 -0.610) 5.995 9.471 ( 5.147 4.016 -11.696) 13.394 9.797 ( -2.269 -2.126 7.255) 7.893 10.021 ( 1.648 -0.854 1.409) 2.330 10.106 ( 0.852 7.654 0.925) 7.757 10.339 ( -1.205 6.418 3.276) 7.306 10.477 ( -4.927 -6.710 -1.672) 8.490 11.080 ( -0.939 -0.510 6.752) 6.836 11.491 ( -6.454 -3.748 -4.373) 8.650 11.680 ( 5.423 1.935 -1.984) 6.090 11.779 ( 4.069 -3.615 -0.646) 5.481 12.291 ( 3.130 10.660 4.327) 11.923 12.426 ( -3.258 -1.810 -2.868) 4.703 12.726 ( 3.282 8.868 0.054) 9.456 12.839 ( 7.954 -6.202 -0.883) 10.125 13.145 ( -19.456 -8.222 -0.007) 21.122 13.483 ( 5.954 -17.828 -3.461) 19.113 13.833 ( -0.921 4.496 2.907) 5.432 14.026 ( -0.414 5.466 -6.054) 8.166 14.154 ( 4.877 -1.458 5.085) 7.195 14.452 ( -3.270 -5.817 -1.265) 6.792 15.312 ( 6.465 9.744 -5.907) 13.101 16.018 ( -4.862 -8.046 1.278) 9.488 16.409 ( -2.696 -6.695 6.209) 9.520 16.470 ( -4.467 4.538 5.856) 8.650 17.292 ( -1.266 -0.315 -13.263) 13.327 17.808 ( 12.328 6.018 13.683) 19.376 18.587 ( -5.609 -5.056 -2.935) 8.102 18.846 ( -12.196 20.485 -0.030) 23.841 19.270 ( 13.491 -2.618 -4.397) 14.429 19.758 ( 1.299 -8.817 -2.479) 9.250 20.052 ( 0.540 14.075 5.171) 15.004 20.433 ( 4.146 -1.139 -1.606) 4.590 21.111 ( -3.012 -0.515 -4.130) 5.138 21.313 ( -6.489 -3.711 8.046) 10.982 21.727 ( 1.920 -6.469 7.030) 9.744 22.075 ( -7.477 2.607 -2.349) 8.260 22.246 ( 7.257 0.002 -5.883) 9.342 22.811 ( -0.874 -5.657 -0.411) 5.739 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 7.353 5.172 -1.968) 9.203 1.875 ( -17.936 6.017 6.444) 19.986 2.180 ( -7.368 13.339 -4.288) 15.830 2.630 ( -5.440 -0.921 -9.182) 10.712 2.932 ( 6.267 0.626 11.238) 12.882 3.133 ( 4.744 -5.432 2.100) 7.511 3.302 ( -0.650 0.851 0.296) 1.111 3.403 ( -4.193 -0.570 3.949) 5.788 3.477 ( -3.686 -0.099 7.571) 8.421 3.728 ( -4.144 9.492 -0.639) 10.377 4.014 ( -2.339 6.230 -0.500) 6.674 4.178 ( -13.285 12.323 4.950) 18.784 4.296 ( -5.287 6.143 1.636) 8.268 4.510 ( 3.306 -2.526 1.674) 4.485 4.755 ( -5.412 10.181 -15.890) 19.632 4.836 ( -1.004 -2.864 -2.355) 3.841 5.040 ( 2.270 7.241 0.189) 7.591 5.185 ( 2.407 -6.131 2.337) 6.989 5.344 ( 2.373 0.673 1.142) 2.718 5.474 ( 0.853 -3.815 -4.403) 5.888 5.518 ( -1.767 -0.627 2.856) 3.416 5.703 ( 0.330 -1.786 -4.145) 4.525 5.787 ( 3.403 -3.575 -0.240) 4.941 6.016 ( -0.350 -0.990 0.592) 1.205 6.116 ( 7.334 0.253 2.187) 7.658 6.224 ( -3.708 7.459 -5.723) 10.106 6.388 ( 3.054 -6.402 7.617) 10.408 6.644 ( 2.532 -4.095 -1.098) 4.938 6.988 ( 7.114 -11.311 3.452) 13.801 7.574 ( 4.035 5.905 -1.293) 7.268 7.650 ( -3.531 -7.787 -3.334) 9.177 7.934 ( -4.227 6.340 -2.498) 8.019 8.485 ( 0.186 -4.014 -3.530) 5.348 8.693 ( -8.383 -7.329 8.474) 13.992 8.974 ( -3.558 1.194 -1.076) 3.904 9.212 ( -3.034 0.046 2.140) 3.713 9.306 ( 6.305 1.073 -3.758) 7.418 9.626 ( 5.927 -6.756 -0.984) 9.040 9.664 ( -5.786 5.639 4.126) 9.072 9.821 ( 1.079 6.792 -4.012) 7.962 10.152 ( 12.173 -2.813 -8.498) 15.110 10.264 ( -5.248 3.595 5.270) 8.261 10.930 ( 5.261 -10.412 -2.590) 11.950 11.167 ( 3.526 0.292 -2.052) 4.090 11.408 ( -2.053 -2.906 3.188) 4.777 11.644 ( 3.309 -3.284 9.431) 10.520 11.656 ( -4.356 4.928 -3.440) 7.423 11.982 ( -8.341 6.010 -1.327) 10.366 12.203 ( 1.548 5.076 0.530) 5.333 12.697 ( -1.047 -4.564 5.237) 7.025 13.231 ( 7.449 -7.531 0.599) 10.610 13.575 ( 1.367 -0.253 -3.354) 3.631 13.699 ( 2.164 0.200 -2.170) 3.071 13.900 ( 3.839 -3.333 2.496) 5.664 14.037 ( -2.870 -9.760 -2.112) 10.391 14.238 ( 5.839 -7.885 -0.268) 9.816 14.668 ( 3.043 -5.766 3.667) 7.480 14.832 ( -7.057 10.657 -6.215) 14.213 16.216 ( 7.631 1.116 1.934) 7.951 16.675 ( 4.076 -14.911 7.058) 16.993 16.857 ( 8.066 -0.812 8.247) 11.564 17.278 ( -9.359 -12.614 -9.243) 18.225 17.351 ( 8.961 14.307 -8.520) 18.910 18.462 ( 6.774 18.213 -7.096) 20.688 18.657 ( -6.877 -2.991 9.645) 12.217 19.062 ( -19.922 4.971 4.993) 21.131 19.314 ( -11.492 13.390 1.012) 17.675 19.745 ( -3.597 20.291 -3.095) 20.838 19.996 ( -19.950 2.699 0.432) 20.136 21.471 ( 7.893 -5.999 3.203) 10.419 21.716 ( 12.923 -7.421 -1.570) 14.985 21.804 ( 11.671 -3.425 7.793) 14.446 22.061 ( 3.342 -2.462 -1.027) 4.276 22.314 ( -8.376 -3.981 -3.381) 9.871 23.259 ( 10.434 -12.501 -3.730) 16.705 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -8.053 0.963 -7.189) 10.838 1.713 ( 6.013 10.038 8.073) 14.216 2.233 ( -4.245 17.608 -0.184) 18.114 2.504 ( -3.445 1.854 -6.917) 7.947 2.996 ( 0.178 -6.559 2.853) 7.155 3.209 ( 2.947 -0.005 5.969) 6.656 3.350 ( 5.615 0.408 5.810) 8.090 3.361 ( 1.790 -0.958 -4.819) 5.229 3.460 ( -4.598 -0.642 5.501) 7.198 3.782 ( -2.013 11.503 -3.137) 12.092 4.037 ( -3.892 7.410 7.268) 11.085 4.129 ( -10.686 15.713 11.413) 22.166 4.279 ( -2.816 8.797 -6.571) 11.336 4.544 ( -0.537 3.648 -0.988) 3.817 4.724 ( -3.326 0.352 -3.651) 4.951 4.782 ( 3.357 4.646 -13.200) 14.390 5.078 ( -1.252 -4.756 -0.970) 5.013 5.204 ( 0.302 0.282 3.537) 3.561 5.352 ( -1.483 -2.169 4.843) 5.510 5.435 ( 3.364 -5.431 -8.586) 10.702 5.546 ( 4.485 0.917 1.820) 4.926 5.650 ( -0.369 -2.421 -4.213) 4.873 5.785 ( -0.920 -1.702 0.637) 2.037 6.020 ( -1.002 -0.409 2.719) 2.927 6.189 ( -1.100 0.318 -1.213) 1.668 6.238 ( -4.281 11.500 -3.243) 12.692 6.408 ( 6.923 -10.409 6.455) 14.070 6.619 ( 1.075 -3.815 -3.348) 5.188 6.984 ( 5.997 -15.036 4.043) 16.686 7.548 ( -0.158 -2.533 -2.519) 3.576 7.708 ( 1.888 6.939 -1.602) 7.368 7.917 ( -3.075 3.607 -0.675) 4.788 8.524 ( 10.621 -0.719 0.302) 10.649 8.600 ( -3.268 -0.868 3.623) 4.955 8.925 ( 0.207 -1.522 7.543) 7.698 9.196 ( 0.185 0.426 -1.311) 1.391 9.281 ( -5.000 -5.243 1.982) 7.511 9.544 ( -2.239 -2.360 -4.141) 5.266 9.791 ( 5.307 3.157 3.166) 6.940 9.861 ( -1.769 2.969 -5.221) 6.261 10.125 ( -11.297 -1.769 -0.003) 11.434 10.279 ( 7.024 -0.490 -5.249) 8.783 10.861 ( 2.738 -12.298 0.071) 12.599 11.186 ( -0.899 -1.079 -2.800) 3.132 11.464 ( 5.473 4.268 3.495) 7.771 11.601 ( -4.500 -8.288 8.724) 12.847 11.696 ( 1.140 10.184 -2.261) 10.494 11.923 ( -3.476 4.875 -3.553) 6.962 12.285 ( 0.205 6.572 -2.102) 6.903 12.770 ( 7.833 -1.988 7.216) 10.834 13.206 ( 1.720 -10.905 -1.757) 11.179 13.565 ( -1.455 1.495 -2.517) 3.269 13.686 ( -9.212 1.746 -0.275) 9.380 13.807 ( 4.742 -14.113 1.327) 14.947 13.967 ( 4.606 -9.324 4.082) 11.172 14.295 ( 5.992 -4.139 -1.596) 7.455 14.655 ( 0.122 -4.756 3.981) 6.204 14.862 ( -2.511 11.011 -3.544) 11.836 16.310 ( 1.510 -4.178 -1.749) 4.775 16.652 ( 7.468 -10.743 6.769) 14.731 16.896 ( 0.652 -6.359 -7.875) 10.143 17.033 ( -4.334 -4.194 2.740) 6.624 17.640 ( 9.818 11.043 -7.729) 16.676 18.261 ( -21.634 0.163 -3.575) 21.928 18.847 ( -5.017 2.149 13.686) 14.734 18.943 ( 10.805 15.393 -3.428) 19.116 19.348 ( -6.355 18.513 2.824) 19.776 19.700 ( -15.940 14.524 -4.568) 22.043 20.039 ( 7.218 18.612 3.290) 20.232 21.418 ( -2.188 -15.001 4.180) 15.726 21.767 ( 6.720 -11.605 -7.088) 15.168 21.892 ( -3.906 -2.828 -4.374) 6.510 22.092 ( 2.789 -3.466 11.976) 12.776 22.214 ( 3.836 -1.872 -3.575) 5.568 23.243 ( 5.489 -15.639 -2.548) 16.769 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -9.899 4.451 -2.438) 11.125 2.029 ( 10.919 6.937 0.910) 12.968 2.340 ( -4.501 16.883 -2.291) 17.622 2.523 ( 0.991 7.452 3.594) 8.333 2.940 ( 4.793 -8.680 -6.180) 11.684 3.219 ( -1.489 -4.932 5.947) 7.868 3.301 ( -2.251 -3.186 -8.256) 9.131 3.385 ( -3.056 -1.283 6.487) 7.285 3.567 ( 7.420 7.377 4.063) 11.224 3.816 ( -5.578 9.591 -2.370) 11.346 4.017 ( -1.861 2.966 -1.373) 3.762 4.278 ( 0.773 12.737 10.282) 16.388 4.417 ( 2.346 19.092 9.119) 21.288 4.530 ( -2.783 1.353 -3.093) 4.376 4.639 ( -0.769 -3.070 -5.812) 6.618 4.912 ( 7.897 5.603 -13.114) 16.301 5.001 ( -2.361 2.301 -1.606) 3.667 5.159 ( -3.505 -4.436 5.330) 7.770 5.276 ( -2.297 -7.533 3.287) 8.534 5.456 ( 6.252 -5.149 -6.495) 10.382 5.609 ( 1.064 -2.957 0.657) 3.210 5.618 ( -1.649 1.152 -0.278) 2.031 5.758 ( 0.085 -2.013 0.382) 2.051 5.941 ( -3.890 -4.943 -1.345) 6.432 6.119 ( -3.201 -3.693 -0.026) 4.887 6.252 ( -0.122 3.358 -0.760) 3.445 6.480 ( 2.043 2.132 1.432) 3.282 6.603 ( 0.889 -0.525 -3.025) 3.196 6.935 ( 1.349 -9.486 2.540) 9.912 7.536 ( 0.593 -1.266 -2.255) 2.653 7.723 ( -4.285 2.941 2.552) 5.790 7.943 ( 2.244 5.130 -3.015) 6.359 8.525 ( -4.882 2.184 1.158) 5.472 8.783 ( 10.342 -1.346 2.134) 10.646 8.983 ( 2.166 -2.672 4.833) 5.932 9.178 ( -1.253 2.140 -7.541) 7.939 9.217 ( 4.265 -1.559 5.030) 6.776 9.496 ( 2.482 -4.714 1.639) 5.574 9.755 ( -7.236 -6.630 -0.447) 9.824 9.843 ( -3.819 1.479 2.348) 4.720 9.941 ( -3.546 2.218 -3.878) 5.704 10.362 ( 3.060 2.173 -2.112) 4.307 10.788 ( 2.072 -12.582 2.078) 12.919 11.115 ( -1.653 -2.970 -3.355) 4.776 11.478 ( -3.811 -4.891 5.917) 8.571 11.656 ( 6.635 5.721 1.411) 8.874 11.764 ( -6.282 9.691 -1.513) 11.648 12.011 ( 8.905 8.698 -2.496) 12.696 12.297 ( -3.788 4.985 -4.181) 7.529 12.811 ( -2.668 -8.292 0.769) 8.745 13.136 ( 2.303 -7.454 -0.041) 7.802 13.465 ( -1.344 -9.044 -0.706) 9.171 13.633 ( -0.121 1.527 2.571) 2.993 13.790 ( 2.862 -8.278 1.541) 8.893 13.967 ( 0.880 -3.786 6.222) 7.336 14.297 ( -1.694 -1.646 -2.920) 3.756 14.626 ( 0.682 -5.141 2.816) 5.901 14.912 ( -0.918 9.396 -3.971) 10.241 16.201 ( -1.141 -10.301 -3.865) 11.061 16.695 ( 1.493 -8.316 4.954) 9.794 16.815 ( 2.902 -5.713 -5.520) 8.457 17.037 ( 2.079 3.993 5.427) 7.051 17.664 ( -15.620 8.563 -10.455) 20.655 18.113 ( 8.606 2.317 0.742) 8.943 18.798 ( -0.962 -5.214 8.739) 10.221 19.330 ( 7.166 21.297 -2.800) 22.644 19.440 ( -3.524 13.586 2.655) 14.284 19.710 ( 1.080 16.963 -3.533) 17.360 20.304 ( -1.755 13.402 1.546) 13.604 21.251 ( 1.151 -11.086 6.988) 13.155 21.672 ( 1.711 -14.412 -6.260) 15.806 21.713 ( -7.643 -4.384 -3.669) 9.545 22.127 ( 0.536 -6.802 5.189) 8.572 22.282 ( 2.823 3.456 0.185) 4.466 23.123 ( -0.044 -14.740 -1.443) 14.810 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.753 6.618 -0.262) 6.666 2.203 ( 0.329 7.149 0.962) 7.221 2.434 ( 1.458 10.454 -0.176) 10.556 2.617 ( -3.303 5.366 5.415) 8.308 2.950 ( 7.319 -5.177 -8.274) 12.200 3.150 ( -4.431 -1.820 -6.367) 7.968 3.178 ( 0.002 -4.227 2.706) 5.019 3.375 ( 1.015 -4.887 6.747) 8.392 3.707 ( -7.289 8.185 -5.437) 12.234 3.795 ( 4.257 3.202 1.808) 5.626 4.104 ( 4.406 5.697 0.016) 7.202 4.387 ( -2.340 4.008 -1.151) 4.782 4.529 ( 6.173 0.814 -2.302) 6.638 4.565 ( -0.866 -4.789 -3.409) 5.942 4.750 ( 3.862 15.610 17.378) 23.677 4.921 ( -2.913 4.380 -5.742) 7.787 5.057 ( -0.152 -6.660 1.974) 6.949 5.156 ( 4.226 10.757 -5.753) 12.910 5.201 ( 2.488 -6.313 3.965) 7.859 5.430 ( -2.355 -2.601 -1.784) 3.936 5.518 ( -5.651 -5.271 2.608) 8.156 5.624 ( 4.454 -2.564 -3.023) 5.962 5.711 ( -5.046 0.730 0.198) 5.102 5.882 ( 4.182 -4.279 -4.568) 7.528 6.047 ( 1.011 -4.564 -1.001) 4.781 6.296 ( 1.526 -0.380 4.398) 4.671 6.505 ( -0.919 1.744 -1.907) 2.742 6.580 ( -1.642 -0.576 -3.256) 3.692 6.858 ( -5.813 -0.757 1.458) 6.040 7.532 ( 1.620 0.968 0.797) 2.048 7.696 ( -0.096 0.455 -5.087) 5.109 8.047 ( 2.551 5.124 1.303) 5.871 8.469 ( -5.191 3.143 0.022) 6.069 8.784 ( -5.805 0.179 2.493) 6.320 8.999 ( 4.173 -7.101 0.500) 8.251 9.129 ( -3.494 -1.059 -3.449) 5.022 9.344 ( 3.181 -9.022 2.513) 9.891 9.429 ( -3.615 3.702 -5.140) 7.293 9.680 ( 6.075 -6.220 10.371) 13.534 9.882 ( 0.923 5.769 1.366) 6.000 9.945 ( 3.424 6.552 -0.718) 7.427 10.400 ( 0.113 1.175 -2.051) 2.366 10.675 ( -2.018 -11.164 1.556) 11.451 11.073 ( 0.869 -2.322 -0.278) 2.494 11.444 ( 1.194 -0.389 3.175) 3.415 11.724 ( -0.883 -3.019 -7.183) 7.841 11.747 ( -4.477 7.470 0.001) 8.709 12.251 ( 4.609 2.107 -1.005) 5.166 12.327 ( 3.912 19.675 -3.253) 20.322 12.630 ( -5.473 -7.696 0.696) 9.469 13.036 ( -4.638 -9.086 -1.574) 10.322 13.329 ( 0.483 -18.740 0.392) 18.751 13.612 ( -4.191 -2.986 1.552) 5.375 13.794 ( 1.791 0.758 3.943) 4.396 14.003 ( 1.628 1.937 6.844) 7.297 14.203 ( -6.003 1.690 -4.939) 7.956 14.560 ( -2.367 -7.000 0.494) 7.406 15.036 ( 6.292 8.682 -2.979) 11.129 16.075 ( 0.068 -9.425 -2.216) 9.683 16.577 ( -5.972 -6.315 0.180) 8.693 16.813 ( -3.204 1.815 5.852) 6.914 17.137 ( 4.762 -3.986 -0.612) 6.240 17.523 ( -2.520 13.709 -8.441) 16.296 18.383 ( 15.370 0.223 6.208) 16.577 18.800 ( 5.546 -4.803 -3.723) 8.228 19.387 ( -14.501 13.141 5.294) 20.273 19.663 ( 7.378 10.111 -2.356) 12.737 19.969 ( 10.141 9.998 -3.832) 14.747 20.270 ( -9.580 9.332 4.052) 13.974 21.335 ( 7.677 -2.241 3.134) 8.589 21.450 ( -7.596 -10.775 -8.432) 15.649 21.583 ( 1.355 -8.648 6.525) 10.918 22.043 ( -0.436 -6.629 -6.793) 9.501 22.346 ( -2.930 5.662 6.089) 8.816 22.953 ( -3.661 -10.210 -0.138) 10.847 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 8.252 4.848 -0.179) 9.572 2.246 ( -5.500 10.094 6.226) 13.073 2.516 ( -11.643 0.237 -2.146) 11.842 2.592 ( 9.020 -0.967 4.736) 10.233 2.956 ( -0.739 -3.456 -7.748) 8.516 3.068 ( 2.476 1.109 -7.303) 7.791 3.251 ( 6.592 -1.201 5.013) 8.368 3.350 ( 0.294 -5.953 5.062) 7.820 3.621 ( -6.587 7.750 -7.002) 12.348 3.893 ( 3.305 -1.531 4.054) 5.450 4.225 ( 4.412 3.950 -4.917) 7.697 4.378 ( 0.533 -0.546 -1.799) 1.954 4.455 ( -2.853 -6.976 1.712) 7.729 4.597 ( -1.405 1.066 -1.774) 2.502 4.867 ( -4.487 -0.085 1.785) 4.829 4.930 ( 1.952 -2.270 2.796) 4.097 5.080 ( 7.236 2.040 2.232) 7.843 5.188 ( -2.792 4.148 0.804) 5.064 5.333 ( 3.918 -0.795 4.583) 6.082 5.392 ( 0.025 5.335 -1.906) 5.665 5.444 ( -1.335 4.987 -0.495) 5.186 5.585 ( -7.947 -0.340 -0.272) 7.958 5.702 ( 6.825 -1.571 -2.634) 7.483 5.891 ( 1.623 -4.368 -1.828) 5.005 6.068 ( 5.496 -1.291 -4.141) 7.002 6.304 ( 0.374 -3.871 5.944) 7.103 6.496 ( -1.662 -2.898 0.395) 3.364 6.530 ( -0.978 2.972 -3.210) 4.482 6.722 ( -8.098 -0.059 0.368) 8.106 7.665 ( 7.622 7.966 0.413) 11.033 7.695 ( 4.124 -2.279 -4.900) 6.798 8.060 ( -6.911 -0.540 3.746) 7.879 8.421 ( -3.202 4.121 -2.817) 5.930 8.705 ( -1.837 -2.362 -0.148) 2.996 8.959 ( -0.695 -7.043 3.280) 7.800 9.050 ( -4.150 2.152 2.101) 5.125 9.269 ( 3.073 -7.534 4.089) 9.106 9.395 ( -4.711 4.625 -12.515) 14.150 9.782 ( 5.445 -3.514 10.371) 12.230 9.999 ( 3.176 6.991 0.506) 7.695 10.143 ( 4.886 9.325 0.670) 10.549 10.379 ( -0.719 -1.290 -2.281) 2.717 10.522 ( -4.825 -6.478 1.083) 8.149 11.083 ( 1.585 -2.770 3.945) 5.075 11.484 ( -1.601 -3.929 -6.571) 7.822 11.583 ( 2.469 -2.804 -4.190) 5.614 11.768 ( -1.714 5.176 1.734) 5.722 12.370 ( 4.511 7.134 0.556) 8.459 12.467 ( -4.980 -2.300 -0.329) 5.495 12.671 ( 10.087 16.346 -1.529) 19.268 12.804 ( -8.964 -7.389 -0.577) 11.631 13.149 ( 4.695 -22.606 -0.554) 23.095 13.423 ( -14.759 -2.192 1.525) 14.998 13.869 ( 1.975 2.103 4.448) 5.301 14.095 ( 0.537 -0.460 -2.050) 2.169 14.119 ( -1.854 7.316 1.479) 7.691 14.433 ( -2.817 -7.013 -1.226) 7.657 15.249 ( 8.447 7.506 -0.828) 11.331 15.987 ( -0.568 -7.142 1.068) 7.243 16.401 ( -5.974 -3.659 -4.745) 8.461 16.733 ( -11.949 2.928 10.248) 16.012 17.175 ( 7.283 -2.069 -9.464) 12.120 17.730 ( 9.721 9.510 1.895) 13.731 18.558 ( 0.181 -8.201 3.721) 9.008 18.907 ( 17.646 -3.560 -7.212) 19.393 19.299 ( -12.546 19.024 3.465) 23.050 19.718 ( -4.019 -6.876 1.362) 8.080 20.155 ( 5.870 7.918 -0.189) 9.858 20.361 ( 2.558 6.384 2.486) 7.313 21.151 ( -7.117 -6.920 -7.968) 12.730 21.383 ( -1.726 -1.516 4.973) 5.478 21.613 ( 3.382 -8.033 1.310) 8.814 21.992 ( 6.436 -3.208 -7.716) 10.548 22.346 ( -6.534 6.256 6.559) 11.174 22.807 ( -4.201 -3.740 0.567) 5.653 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -3.424 3.667 -5.665) 7.568 2.210 ( -10.688 6.296 0.005) 12.405 2.434 ( -5.024 9.015 -0.427) 10.329 2.673 ( -4.987 -2.384 -2.522) 6.076 2.843 ( 9.016 3.649 7.252) 12.132 3.051 ( -0.350 -6.098 6.905) 9.219 3.246 ( 2.531 -1.859 -5.596) 6.417 3.427 ( 2.968 -0.497 -1.142) 3.219 3.623 ( -11.646 -4.887 7.033) 14.456 3.847 ( 1.537 8.551 -5.367) 10.212 4.095 ( -3.226 3.682 1.278) 5.059 4.365 ( -2.503 -0.368 2.569) 3.605 4.462 ( 1.073 1.949 4.505) 5.025 4.557 ( -1.400 5.611 0.485) 5.804 4.799 ( -3.406 2.113 10.170) 10.931 4.968 ( -9.026 7.446 -13.721) 18.033 5.068 ( 5.973 -2.959 0.870) 6.722 5.130 ( -4.707 6.135 -1.828) 7.946 5.254 ( 6.379 0.673 -3.758) 7.434 5.429 ( -0.259 -2.570 -1.733) 3.111 5.540 ( -1.199 -7.731 -0.615) 7.847 5.566 ( 8.830 1.382 4.579) 10.042 5.724 ( -3.044 -4.310 -1.612) 5.517 5.859 ( 9.847 1.149 -0.213) 9.916 6.031 ( 1.312 -2.209 1.166) 2.821 6.345 ( -0.224 3.864 -3.558) 5.258 6.446 ( -3.461 1.353 6.825) 7.771 6.556 ( 2.374 -3.748 1.070) 4.564 6.868 ( -2.605 -4.999 -0.083) 5.637 7.540 ( 3.621 3.149 -0.459) 4.821 7.660 ( -3.931 -3.446 0.374) 5.241 8.069 ( -4.191 5.622 -1.743) 7.225 8.485 ( -5.669 -4.107 -2.279) 7.362 8.783 ( -6.723 -7.485 2.803) 10.444 9.021 ( 3.014 4.975 -3.875) 6.990 9.130 ( 4.551 -3.741 -3.385) 6.795 9.344 ( -8.094 -0.574 6.430) 10.353 9.377 ( 10.993 -6.947 -0.632) 13.020 9.791 ( 5.702 5.589 -5.603) 9.755 9.909 ( -3.833 4.294 -2.899) 6.445 9.950 ( -1.110 4.755 -2.339) 5.414 10.358 ( 0.668 1.912 4.221) 4.682 10.699 ( 8.372 -7.911 -2.043) 11.698 11.087 ( 4.923 1.447 -2.319) 5.631 11.462 ( -3.419 -0.027 0.323) 3.435 11.586 ( 2.718 -6.973 13.732) 15.639 11.773 ( -7.030 1.962 -3.830) 8.243 12.221 ( 0.071 3.992 3.618) 5.388 12.305 ( -12.127 14.915 0.137) 19.224 12.650 ( -0.052 -7.397 -2.299) 7.747 13.010 ( 7.255 -8.514 2.449) 11.451 13.339 ( 14.652 -9.585 -1.387) 17.563 13.638 ( 0.586 -5.605 -2.248) 6.067 13.853 ( -0.955 2.702 -4.863) 5.644 14.083 ( -0.011 2.405 -4.737) 5.313 14.147 ( -5.325 -5.837 3.238) 8.538 14.546 ( 4.660 -6.104 2.605) 8.109 15.041 ( -6.823 9.011 -4.007) 11.992 16.054 ( 8.287 -2.508 0.589) 8.678 16.534 ( 0.525 -10.576 6.554) 12.453 16.803 ( 8.347 9.918 11.160) 17.106 17.152 ( -2.709 -12.421 -8.456) 15.268 17.516 ( -7.089 10.983 -5.038) 14.009 18.464 ( 9.328 16.369 -6.539) 19.943 18.695 ( 3.361 -3.225 12.276) 13.130 19.453 ( -21.988 -6.645 -4.840) 23.474 19.639 ( -5.682 14.477 2.351) 15.729 19.938 ( -3.152 10.805 0.393) 11.262 20.319 ( -14.086 -0.234 -3.585) 14.537 21.298 ( 7.605 -4.436 5.612) 10.441 21.423 ( 10.748 -3.747 -1.385) 11.466 21.614 ( 9.505 -0.587 4.037) 10.344 21.953 ( 4.378 -4.560 4.080) 7.523 22.440 ( -9.422 -0.380 -7.174) 11.849 22.969 ( 7.340 -8.478 -2.569) 11.505 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 8.987 8.781 -4.981) 13.516 1.995 ( -15.812 3.621 -0.619) 16.233 2.476 ( -3.907 14.514 -2.652) 15.262 2.517 ( -3.323 -4.911 -0.975) 6.010 2.994 ( -3.112 -5.510 4.166) 7.576 3.103 ( 10.892 2.469 5.998) 12.677 3.301 ( 1.141 -0.696 -3.430) 3.681 3.373 ( -3.777 -0.111 2.519) 4.541 3.512 ( -0.527 -0.908 4.495) 4.616 3.907 ( -0.710 7.747 -7.683) 10.934 4.100 ( -1.373 4.129 5.038) 6.656 4.364 ( -1.099 4.085 -3.318) 5.376 4.512 ( 1.343 -0.825 8.193) 8.343 4.588 ( -6.514 11.261 5.599) 14.163 4.738 ( -3.582 -4.732 1.219) 6.059 4.873 ( -6.092 11.881 -14.164) 19.465 5.052 ( -1.383 -1.508 1.401) 2.480 5.188 ( 3.336 2.016 -2.560) 4.663 5.319 ( -1.305 -4.798 -2.480) 5.557 5.364 ( -1.457 -3.057 0.330) 3.402 5.461 ( 3.807 -1.801 -1.556) 4.490 5.610 ( -1.065 -4.336 -3.076) 5.422 5.761 ( 5.495 1.469 1.815) 5.971 5.987 ( 3.819 -2.031 -1.287) 4.513 6.094 ( 4.366 -1.082 4.582) 6.421 6.358 ( -1.302 -1.567 1.113) 2.322 6.428 ( -3.061 7.869 0.965) 8.498 6.558 ( 1.220 -1.728 -1.089) 2.379 6.774 ( 2.633 -10.590 1.651) 11.036 7.548 ( -2.437 1.476 -2.058) 3.515 7.714 ( 4.723 6.362 2.947) 8.454 8.023 ( -4.772 1.285 -0.393) 4.957 8.385 ( 1.833 -2.303 1.298) 3.217 8.692 ( -2.413 0.619 2.954) 3.865 8.980 ( -4.861 -0.556 0.697) 4.942 9.167 ( 4.049 -8.641 -1.077) 9.603 9.252 ( -2.668 -1.240 7.317) 7.887 9.442 ( 3.869 -6.652 -4.042) 8.692 9.885 ( -1.593 5.616 -2.114) 6.208 9.929 ( -5.606 8.116 1.116) 9.927 10.017 ( 12.966 -0.712 -8.338) 15.432 10.323 ( -7.125 1.212 -0.483) 7.244 10.688 ( 3.198 -11.559 -0.812) 12.021 11.155 ( 2.126 0.077 -5.609) 5.999 11.472 ( 1.580 5.708 4.328) 7.335 11.598 ( -0.698 -8.176 12.372) 14.846 11.738 ( 1.773 4.737 -3.067) 5.915 12.123 ( -11.252 9.013 -1.322) 14.477 12.371 ( -2.144 9.888 -1.561) 10.237 12.629 ( 5.675 -4.949 4.188) 8.615 13.013 ( 5.179 -12.226 -1.177) 13.330 13.529 ( 2.166 -9.160 0.053) 9.413 13.536 ( 10.976 -9.457 1.980) 14.623 13.853 ( -1.646 -0.582 -5.406) 5.681 13.934 ( -8.752 1.697 2.391) 9.230 14.144 ( 5.072 -0.727 -1.347) 5.298 14.566 ( 3.546 -6.612 2.440) 7.890 15.058 ( -4.852 11.881 0.924) 12.867 16.174 ( 7.265 -5.760 -0.104) 9.272 16.478 ( 3.157 -8.916 7.878) 12.309 16.769 ( -4.174 -8.861 -19.401) 21.734 17.131 ( -0.221 1.850 16.810) 16.913 17.607 ( 3.797 16.293 -12.417) 20.834 18.592 ( -8.528 3.334 -0.451) 9.167 18.923 ( 7.989 16.031 -0.002) 17.911 18.986 ( -13.542 -9.845 6.984) 18.141 19.675 ( -6.492 13.407 2.166) 15.053 19.991 ( -7.621 0.031 -1.412) 7.751 20.160 ( -2.402 19.316 -1.014) 19.491 21.294 ( 1.353 -13.842 3.527) 14.348 21.510 ( 6.556 -6.247 -6.708) 11.269 21.804 ( 8.796 -1.741 -1.283) 9.058 22.055 ( 6.080 1.342 5.395) 8.238 22.212 ( -9.204 -3.903 -1.473) 10.105 22.982 ( 6.542 -11.307 -1.769) 13.182 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -8.089 8.872 -5.876) 13.367 1.940 ( 6.379 6.565 3.657) 9.858 2.486 ( 5.139 -1.851 -1.344) 5.626 2.571 ( -2.263 13.419 -0.698) 13.627 2.851 ( -6.074 -4.311 -2.524) 7.864 3.187 ( -1.060 -7.812 4.158) 8.913 3.250 ( 2.447 -1.434 -3.763) 4.712 3.474 ( -0.853 1.373 4.052) 4.362 3.535 ( 4.404 5.703 4.339) 8.412 3.952 ( 1.173 7.776 -4.612) 9.117 4.086 ( -6.798 1.097 -0.922) 6.947 4.385 ( -0.386 4.103 -1.891) 4.534 4.569 ( 1.560 -1.684 3.119) 3.873 4.611 ( -6.148 6.023 8.622) 12.183 4.647 ( 0.547 0.975 -0.504) 1.227 4.873 ( -0.753 11.905 -9.606) 15.316 5.030 ( -0.452 -0.353 -2.285) 2.356 5.205 ( -4.270 -2.236 3.371) 5.882 5.254 ( 1.598 -3.498 -4.667) 6.048 5.278 ( 1.516 -3.146 3.031) 4.624 5.509 ( 1.831 -4.890 -3.870) 6.499 5.606 ( 3.271 0.818 -1.495) 3.688 5.803 ( -2.417 1.308 2.176) 3.505 5.925 ( -2.047 -6.842 -6.194) 9.453 6.122 ( -1.385 -3.128 2.441) 4.203 6.307 ( -2.169 -2.153 7.075) 7.707 6.483 ( 1.335 4.744 -5.067) 7.068 6.579 ( 0.410 1.693 -0.986) 2.001 6.803 ( 7.635 -3.314 2.557) 8.707 7.528 ( -1.840 2.684 -1.991) 3.815 7.833 ( -1.816 1.069 5.472) 5.864 7.960 ( -0.262 2.668 -1.386) 3.018 8.540 ( 12.754 0.840 2.464) 13.017 8.665 ( -5.322 4.670 -0.293) 7.086 8.953 ( 2.679 -0.197 3.771) 4.630 9.094 ( 1.394 -13.108 1.950) 13.325 9.266 ( -2.476 4.560 6.623) 8.414 9.401 ( 1.901 -3.542 -2.188) 4.577 9.813 ( -4.820 -3.776 -1.140) 6.228 9.955 ( -3.579 6.739 0.771) 7.669 10.068 ( -6.600 -2.199 -2.117) 7.271 10.256 ( 4.269 3.081 -7.856) 9.457 10.625 ( 3.118 -11.003 1.804) 11.578 11.109 ( -1.947 -2.142 -5.848) 6.525 11.513 ( -3.120 -7.277 8.597) 11.688 11.632 ( 4.189 7.652 1.145) 8.798 11.884 ( 8.118 5.630 -0.109) 9.880 12.031 ( -9.026 9.450 -3.078) 13.426 12.410 ( -2.387 9.173 -3.631) 10.150 12.691 ( 4.069 -9.540 4.123) 11.161 12.994 ( 4.981 -5.560 -1.261) 7.571 13.357 ( 0.479 -18.120 -0.579) 18.136 13.684 ( 1.980 -1.625 5.858) 6.394 13.726 ( -3.052 2.512 -1.467) 4.216 13.941 ( 0.872 0.879 4.502) 4.669 14.243 ( 5.377 0.765 -3.495) 6.459 14.555 ( 1.867 -6.339 1.908) 6.878 15.082 ( -5.928 9.781 3.457) 11.948 16.123 ( -2.280 -9.377 -0.263) 9.654 16.555 ( 7.825 -3.956 -1.948) 8.982 16.592 ( 4.449 -8.165 -12.781) 15.805 17.157 ( -4.862 3.882 10.253) 11.993 17.817 ( 6.333 12.399 -9.754) 17.000 18.279 ( -23.091 4.482 -3.732) 23.816 18.769 ( -1.738 -13.398 11.337) 17.637 19.311 ( 10.938 16.090 -1.958) 19.554 19.722 ( -5.687 13.007 4.930) 15.027 19.873 ( -3.641 6.520 -3.858) 8.406 20.394 ( 4.500 11.455 3.105) 12.693 21.161 ( -1.077 -10.618 1.942) 10.847 21.460 ( 2.184 -11.153 -8.912) 14.442 21.787 ( -5.826 -0.398 -11.191) 12.623 22.052 ( 0.235 -8.233 6.399) 10.430 22.266 ( 6.321 5.231 7.048) 10.816 22.956 ( 3.545 -10.001 -0.304) 10.615 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -8.718 11.970 -0.475) 14.816 2.143 ( 8.194 -0.459 5.285) 9.761 2.576 ( -5.101 2.385 -6.746) 8.787 2.628 ( 8.124 3.380 0.405) 8.808 2.790 ( 2.343 3.761 -4.994) 6.676 3.127 ( 1.475 -10.153 5.807) 11.789 3.191 ( -3.745 -0.277 -6.978) 7.925 3.419 ( -6.723 -1.036 8.517) 10.900 3.723 ( 6.405 5.284 0.655) 8.329 3.917 ( -9.137 0.678 -7.099) 11.590 4.077 ( 4.686 5.439 0.833) 7.227 4.413 ( 4.315 -1.749 -0.678) 4.705 4.495 ( -6.378 -0.035 -1.870) 6.646 4.537 ( -2.024 -2.330 -1.615) 3.484 4.807 ( 4.823 2.059 3.143) 6.114 4.984 ( -0.279 -4.779 1.487) 5.013 5.013 ( 3.639 10.712 1.068) 11.364 5.137 ( -2.531 -6.036 2.195) 6.904 5.221 ( 0.096 9.195 -5.085) 10.508 5.375 ( 4.927 -0.303 1.459) 5.147 5.446 ( 1.235 -4.037 -1.136) 4.372 5.622 ( -1.399 0.018 -0.930) 1.679 5.754 ( -1.757 -1.372 1.509) 2.692 5.839 ( -1.899 0.535 -7.471) 7.727 6.022 ( -3.565 -5.663 2.661) 7.202 6.304 ( -0.299 -1.089 4.701) 4.835 6.496 ( -0.425 -0.896 -2.510) 2.699 6.587 ( 0.041 2.159 -3.381) 4.012 6.923 ( 2.528 3.022 -0.602) 3.985 7.504 ( -1.173 -0.019 -1.804) 2.152 7.745 ( -4.592 -2.791 2.224) 5.816 8.059 ( 3.103 6.364 1.474) 7.233 8.614 ( -5.259 4.292 1.349) 6.921 8.742 ( 9.389 -5.266 2.021) 10.953 8.949 ( -3.315 -4.363 4.943) 7.379 9.144 ( 9.690 -2.627 2.424) 10.328 9.216 ( -7.670 4.677 -1.663) 9.136 9.483 ( 2.912 1.410 1.467) 3.552 9.657 ( -4.820 -5.175 5.739) 9.107 9.932 ( -0.241 2.682 2.135) 3.436 9.989 ( -2.533 6.777 -3.518) 8.045 10.329 ( 4.713 -1.332 -6.022) 7.763 10.575 ( 1.239 -8.875 2.199) 9.227 11.041 ( -0.713 -1.654 -4.352) 4.710 11.448 ( -0.719 -3.363 6.600) 7.442 11.694 ( -1.484 -1.176 -7.530) 7.765 11.962 ( -8.703 9.825 -1.077) 13.170 12.079 ( 10.184 -1.430 -1.139) 10.346 12.496 ( -0.497 18.059 -3.429) 18.388 12.624 ( 0.275 -8.689 2.550) 9.059 12.981 ( -1.415 -7.864 0.074) 7.991 13.210 ( -0.953 -10.649 0.280) 10.695 13.641 ( -2.206 -0.937 1.333) 2.743 13.797 ( 2.211 1.540 5.976) 6.555 13.987 ( 1.906 -1.275 5.999) 6.422 14.279 ( -1.037 2.789 -4.131) 5.091 14.516 ( -0.088 -6.068 0.161) 6.071 15.101 ( -3.289 8.492 4.244) 10.047 15.994 ( -1.535 -5.976 -2.374) 6.611 16.588 ( 3.988 -4.899 -5.684) 8.498 16.633 ( 8.981 -2.255 -7.892) 12.167 17.171 ( -2.640 1.491 8.534) 9.057 17.804 ( -16.464 11.768 -8.880) 22.100 18.162 ( 9.209 1.074 1.877) 9.459 18.668 ( 0.767 -10.335 3.129) 10.826 19.571 ( 7.388 2.224 -1.973) 7.964 19.747 ( -7.085 9.544 5.412) 13.060 19.977 ( 3.266 13.214 -1.554) 13.700 20.466 ( -4.012 -0.521 4.914) 6.365 21.171 ( 8.273 0.841 -0.057) 8.316 21.308 ( -0.196 -14.203 -8.712) 16.663 21.617 ( -6.952 -0.236 -5.792) 9.051 21.984 ( -1.488 -5.507 -2.595) 6.267 22.437 ( 2.631 3.776 10.136) 11.132 22.913 ( -0.154 -3.958 0.807) 4.043 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.259 12.136 2.111) 12.742 2.281 ( 10.328 -8.422 8.496) 15.805 2.474 ( -3.010 0.227 -10.433) 10.861 2.717 ( -5.329 1.224 5.408) 7.690 2.906 ( 4.574 5.163 -6.151) 9.242 3.008 ( -0.333 -3.323 -10.608) 11.121 3.174 ( 1.700 -1.244 7.538) 7.827 3.311 ( -3.859 -5.622 4.834) 8.359 3.742 ( -3.614 -2.886 -2.910) 5.464 3.879 ( 2.020 5.909 0.264) 6.250 4.170 ( 2.277 0.304 -3.165) 3.911 4.364 ( -1.737 -7.871 2.614) 8.474 4.448 ( -4.386 -2.715 -3.676) 6.334 4.554 ( 8.223 3.380 -3.279) 9.476 4.852 ( 1.302 -2.183 2.022) 3.248 4.892 ( -2.581 -10.681 0.296) 10.992 5.048 ( 0.963 1.725 1.002) 2.215 5.190 ( 3.758 0.941 3.339) 5.114 5.332 ( 2.641 9.546 -3.829) 10.619 5.467 ( 0.862 5.544 2.478) 6.134 5.510 ( 1.587 5.610 1.356) 5.986 5.594 ( -1.266 2.104 -4.035) 4.723 5.729 ( -3.753 -0.216 1.505) 4.050 5.784 ( 2.077 -0.368 -5.045) 5.469 5.957 ( 1.667 -3.823 1.563) 4.454 6.281 ( -0.503 -5.320 2.477) 5.890 6.482 ( 0.451 1.184 1.232) 1.767 6.591 ( -1.492 3.836 -4.094) 5.806 6.873 ( -7.906 -2.548 -0.396) 8.316 7.516 ( 4.828 -1.832 -3.323) 6.141 7.709 ( 0.917 3.510 1.040) 3.774 8.158 ( -0.613 3.619 4.101) 5.504 8.556 ( -6.372 3.149 -0.729) 7.145 8.742 ( -3.312 -8.613 2.607) 9.589 8.923 ( -0.143 2.906 5.116) 5.885 9.107 ( 0.921 -10.542 3.781) 11.237 9.183 ( -5.457 4.520 1.557) 7.255 9.513 ( -3.393 6.770 -7.877) 10.926 9.664 ( 6.960 -3.415 8.359) 11.401 10.026 ( 3.227 5.687 -1.977) 6.831 10.132 ( 7.422 9.166 3.934) 12.433 10.326 ( 1.414 -5.084 -5.075) 7.321 10.516 ( -1.663 -2.238 1.549) 3.190 11.012 ( 2.291 -3.676 -1.701) 4.653 11.472 ( -0.946 -2.801 1.308) 3.232 11.526 ( -3.143 -4.057 -6.955) 8.643 11.901 ( -6.123 4.874 -0.668) 7.854 12.211 ( 9.390 -4.063 -2.698) 10.581 12.586 ( -1.644 1.917 3.663) 4.449 12.721 ( 4.107 14.366 -2.192) 15.101 12.823 ( -3.593 -8.906 -0.156) 9.604 13.041 ( -9.245 -3.231 0.756) 9.823 13.584 ( -4.722 -0.706 1.738) 5.081 13.874 ( 1.811 1.103 6.410) 6.752 14.032 ( 3.575 -3.291 3.347) 5.900 14.259 ( -4.262 5.783 -3.260) 7.889 14.416 ( -3.448 -5.873 -1.297) 6.932 15.203 ( 4.000 6.431 4.892) 9.016 15.935 ( 0.276 -2.181 -1.075) 2.447 16.491 ( -7.405 -0.644 -3.563) 8.243 16.848 ( 16.440 2.208 -8.262) 18.532 17.049 ( -11.820 -4.843 1.808) 12.901 17.729 ( -0.976 9.526 -1.599) 9.708 18.408 ( 13.921 -3.158 6.597) 15.725 18.608 ( 4.484 -6.836 -6.625) 10.523 19.600 ( -1.152 -1.387 1.094) 2.109 19.723 ( -4.704 -1.484 5.199) 7.166 20.131 ( 0.296 7.985 -1.326) 8.099 20.421 ( -0.317 -0.493 4.597) 4.634 21.100 ( -2.057 -12.814 -9.086) 15.842 21.374 ( 8.004 5.805 -2.982) 10.327 21.523 ( -1.982 -0.433 0.453) 2.079 21.889 ( -1.413 -1.596 -5.781) 6.161 22.497 ( -2.611 -0.464 9.014) 9.396 22.890 ( -3.516 5.146 1.421) 6.392 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 0.000 28.771) 28.771 1.244 ( 0.000 0.000 28.771) 28.771 2.200 ( 0.000 0.000 51.946) 51.946 2.371 ( 0.000 -0.000 -19.335) 19.335 2.371 ( -0.000 -0.000 -19.335) 19.335 3.228 ( 0.000 0.000 4.586) 4.586 3.228 ( 0.000 0.000 4.586) 4.586 3.384 ( -0.000 -0.000 -3.697) 3.697 3.535 ( 0.000 -0.000 -2.563) 2.563 3.535 ( 0.000 -0.000 -2.563) 2.563 3.720 ( -0.000 -0.000 -8.551) 8.551 3.813 ( 0.000 0.000 0.275) 0.275 3.813 ( -0.000 -0.000 0.275) 0.275 4.273 ( -0.000 -0.000 -26.731) 26.731 4.678 ( 0.000 0.000 4.610) 4.610 5.079 ( -0.000 -0.000 -0.710) 0.710 5.097 ( 0.000 0.000 4.060) 4.060 5.097 ( -0.000 0.000 4.060) 4.060 5.402 ( 0.000 0.000 4.792) 4.792 5.402 ( 0.000 0.000 4.792) 4.792 5.682 ( 0.000 -0.000 -6.396) 6.396 5.682 ( -0.000 -0.000 -6.396) 6.396 5.804 ( -0.000 -0.000 -2.355) 2.355 5.963 ( -0.000 -0.000 -0.329) 0.329 5.978 ( 0.000 -0.000 -1.376) 1.376 5.978 ( 0.000 -0.000 -1.376) 1.376 6.725 ( -0.000 -0.000 -0.857) 0.857 7.401 ( 0.000 0.000 3.768) 3.768 7.553 ( 0.000 -0.000 -7.830) 7.830 7.553 ( 0.000 -0.000 -7.830) 7.830 7.701 ( 0.000 0.000 7.580) 7.580 8.067 ( -0.000 -0.000 -4.728) 4.728 8.677 ( -0.000 0.000 2.099) 2.099 8.677 ( 0.000 0.000 2.099) 2.099 8.996 ( 0.000 0.000 7.023) 7.023 8.996 ( 0.000 0.000 7.023) 7.023 9.202 ( -0.000 0.000 2.387) 2.387 9.202 ( -0.000 0.000 2.387) 2.387 9.428 ( -0.000 -0.000 -2.319) 2.319 9.987 ( 0.000 0.000 3.799) 3.799 9.987 ( 0.000 0.000 3.799) 3.799 10.739 ( -0.000 -0.000 -7.978) 7.978 11.288 ( 0.000 -0.000 -7.045) 7.045 11.288 ( -0.000 -0.000 -7.045) 7.045 11.382 ( 0.000 -0.000 -2.437) 2.437 11.382 ( 0.000 -0.000 -2.437) 2.437 11.792 ( -0.000 -0.000 -0.458) 0.458 11.979 ( -0.000 0.000 1.460) 1.460 11.979 ( 0.000 0.000 1.460) 1.460 12.643 ( 0.000 0.000 19.419) 19.419 13.400 ( 0.000 0.000 0.026) 0.026 13.653 ( -0.000 -0.000 -9.566) 9.566 13.770 ( 0.000 0.000 1.663) 1.663 13.770 ( 0.000 0.000 1.663) 1.663 14.186 ( 0.000 0.000 1.481) 1.481 14.627 ( -0.000 -0.000 -3.566) 3.566 15.010 ( 0.000 0.000 1.461) 1.461 15.010 ( 0.000 0.000 1.461) 1.461 15.866 ( -0.000 -0.000 -0.503) 0.503 17.350 ( 0.000 0.000 1.064) 1.064 17.663 ( -0.000 0.000 2.144) 2.144 17.663 ( -0.000 0.000 2.144) 2.144 17.838 ( 0.000 0.000 0.092) 0.092 17.846 ( 0.000 -0.000 -5.173) 5.173 17.846 ( 0.000 -0.000 -5.173) 5.173 18.601 ( 0.000 -0.000 -1.068) 1.068 18.601 ( 0.000 -0.000 -1.068) 1.068 18.895 ( 0.000 0.000 2.081) 2.081 18.895 ( 0.000 0.000 2.081) 2.081 22.007 ( 0.000 0.000 0.738) 0.738 22.007 ( 0.000 -0.000 0.738) 0.738 22.255 ( -0.000 -0.000 -0.629) 0.629 22.307 ( 0.000 0.000 -0.612) 0.612 22.307 ( -0.000 -0.000 -0.612) 0.612 23.953 ( 0.000 0.000 0.713) 0.713 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.657 -7.876 28.044) 29.250 1.507 ( 5.618 9.669 21.724) 24.433 2.050 ( -11.178 3.228 -14.185) 18.346 2.385 ( 10.040 -3.269 -17.388) 20.343 2.770 ( 19.135 9.533 35.014) 41.025 3.153 ( -6.612 -0.177 2.672) 7.134 3.286 ( 1.479 3.478 3.026) 4.842 3.365 ( -4.620 -3.082 2.962) 6.294 3.412 ( 0.141 -0.203 -1.698) 1.716 3.634 ( 3.598 1.179 -9.993) 10.686 3.770 ( 8.583 -4.420 1.918) 9.843 3.817 ( -0.603 9.592 -1.096) 9.673 3.930 ( 9.599 2.451 -3.948) 10.665 4.256 ( 7.215 4.162 -24.198) 25.592 4.695 ( 0.103 -0.709 1.870) 2.002 4.990 ( -6.865 0.239 4.206) 8.054 5.048 ( -2.912 -4.675 1.040) 5.605 5.214 ( 5.141 3.578 -0.495) 6.283 5.404 ( -0.895 -4.124 6.535) 7.779 5.441 ( 1.501 2.396 4.662) 5.452 5.589 ( -4.028 -0.492 -5.073) 6.497 5.712 ( 1.861 1.288 -6.867) 7.230 5.846 ( 4.058 1.837 -0.436) 4.476 5.910 ( -1.756 -0.854 -3.457) 3.970 5.991 ( 1.217 2.122 -0.123) 2.450 6.052 ( 4.894 0.957 0.187) 4.990 6.699 ( -2.098 -0.948 -0.987) 2.505 7.172 ( -18.833 -10.109 4.929) 21.935 7.480 ( -1.022 -2.233 -2.063) 3.207 7.525 ( -8.751 -5.743 -0.351) 10.473 7.690 ( 2.250 1.783 -6.309) 6.931 7.873 ( -6.200 -1.474 -0.753) 6.417 8.623 ( -1.673 -7.119 2.788) 7.826 8.830 ( -3.266 15.120 0.731) 15.486 8.931 ( -1.090 -3.567 3.636) 5.209 9.139 ( 1.669 0.531 4.182) 4.533 9.208 ( 2.416 3.707 -0.749) 4.488 9.310 ( 13.393 2.914 -1.451) 13.783 9.574 ( 7.674 3.509 -2.388) 8.769 9.928 ( -3.962 -3.988 6.467) 8.569 10.065 ( 2.807 2.828 3.114) 5.057 10.499 ( -11.153 -10.336 -5.686) 16.234 11.278 ( -4.117 3.276 -3.448) 6.291 11.304 ( -4.828 -1.394 -1.678) 5.298 11.351 ( 3.612 -0.369 -3.992) 5.396 11.434 ( 8.223 2.943 -4.457) 9.805 11.682 ( -4.217 -4.744 -0.107) 6.349 11.933 ( -4.174 -0.847 1.472) 4.507 12.100 ( 5.792 2.844 0.111) 6.453 12.754 ( 0.602 3.963 15.966) 16.462 13.417 ( -3.138 -3.840 2.948) 5.769 13.450 ( 1.399 -0.006 -8.550) 8.664 13.738 ( -3.015 -1.683 0.632) 3.510 13.963 ( 4.619 2.745 -0.509) 5.397 14.282 ( 7.439 1.680 2.395) 7.994 14.546 ( -5.219 -1.334 -4.741) 7.176 14.778 ( -17.165 -5.193 -0.989) 17.961 14.923 ( -6.403 -3.855 1.166) 7.564 16.028 ( 10.250 6.830 0.426) 12.325 17.137 ( -8.166 -14.529 8.521) 18.719 17.316 ( -19.037 -1.576 1.764) 19.183 17.379 ( -18.555 -12.246 -2.433) 22.365 17.688 ( -2.036 -7.035 -6.039) 9.493 18.031 ( 4.711 3.499 -1.337) 6.019 18.240 ( 21.826 9.857 -0.486) 23.953 18.662 ( 5.447 6.946 0.063) 8.827 18.840 ( 12.876 16.389 -1.406) 20.890 19.003 ( 11.641 -1.400 0.728) 11.747 19.307 ( 24.678 17.511 -0.417) 30.262 21.859 ( -10.400 -6.471 1.356) 12.324 22.032 ( -1.008 -6.964 3.030) 7.662 22.059 ( -7.423 -6.830 2.814) 10.473 22.218 ( -5.693 -3.204 1.449) 6.691 22.362 ( -1.050 5.434 -3.619) 6.613 23.807 ( -11.436 -6.542 0.041) 13.175 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -2.444 -4.961 12.360) 13.541 1.795 ( 9.903 4.883 7.113) 13.134 2.002 ( 5.724 10.383 -5.809) 13.203 2.484 ( 10.236 -0.281 -13.531) 16.969 3.025 ( -7.406 -2.637 7.572) 10.915 3.230 ( 0.776 0.145 9.926) 9.957 3.316 ( 1.898 3.595 7.660) 8.672 3.360 ( 0.974 0.537 -2.840) 3.050 3.471 ( 7.872 7.272 11.088) 15.420 3.643 ( 2.281 0.803 -10.419) 10.696 3.896 ( 4.514 1.554 4.449) 6.525 3.977 ( 11.821 5.173 2.670) 13.177 4.175 ( 12.569 5.592 1.408) 13.828 4.380 ( 11.932 5.979 -22.584) 26.233 4.652 ( -4.323 -1.457 1.360) 4.761 4.913 ( -2.894 -8.223 -0.944) 8.769 4.954 ( -2.819 4.731 3.714) 6.643 5.297 ( 0.028 2.997 -4.182) 5.145 5.350 ( -3.024 -5.154 8.208) 10.153 5.482 ( -0.622 -2.591 -2.641) 3.752 5.537 ( 0.438 2.773 3.496) 4.484 5.703 ( -0.581 -0.503 -5.675) 5.727 5.828 ( -2.382 -1.859 -1.664) 3.450 6.016 ( 8.108 4.118 1.952) 9.301 6.047 ( 1.200 2.835 0.548) 3.127 6.133 ( 2.922 0.701 -3.547) 4.649 6.598 ( -10.601 -4.008 3.558) 11.879 6.725 ( -12.184 -8.729 -1.278) 15.043 7.215 ( -14.178 -7.544 3.381) 16.412 7.490 ( 1.643 -1.413 1.690) 2.748 7.760 ( 3.363 6.526 -12.891) 14.836 7.828 ( -0.258 1.018 3.258) 3.423 8.534 ( -3.059 -0.359 0.247) 3.090 8.844 ( 4.919 -9.440 -1.206) 10.713 8.958 ( -5.821 13.712 3.834) 15.382 9.206 ( 2.549 1.761 -0.216) 3.105 9.218 ( -0.044 -0.954 -4.514) 4.614 9.572 ( 9.462 -0.428 -5.010) 10.715 9.665 ( 1.455 2.648 2.671) 4.033 9.851 ( -6.364 2.951 7.462) 10.242 10.108 ( -1.887 -7.861 -6.159) 10.163 10.243 ( -1.079 -4.600 5.348) 7.136 11.091 ( -9.981 -5.487 -3.920) 12.046 11.201 ( -5.152 -1.682 -1.367) 5.589 11.491 ( 4.951 6.756 1.197) 8.461 11.563 ( 3.569 5.166 -2.872) 6.905 11.619 ( 2.582 -3.758 1.084) 4.686 11.869 ( 0.773 -2.531 0.615) 2.717 12.197 ( 1.656 2.618 1.446) 3.418 12.843 ( -3.056 6.015 8.378) 10.757 13.298 ( -3.159 -6.600 -1.824) 7.541 13.527 ( 3.327 2.187 -3.706) 5.439 13.669 ( -1.354 -1.708 -1.610) 2.710 13.961 ( -3.397 -3.960 1.424) 5.408 14.205 ( -9.938 -10.269 3.859) 14.803 14.398 ( -9.405 -3.961 -1.229) 10.279 14.678 ( 6.767 13.212 -9.936) 17.863 14.779 ( -5.767 -3.566 2.019) 7.075 16.218 ( 0.963 2.796 4.290) 5.210 16.934 ( -8.059 -8.309 3.969) 12.237 16.964 ( -11.117 -15.326 3.617) 19.276 17.057 ( -3.274 -2.952 1.201) 4.569 17.567 ( -7.483 8.715 -8.070) 14.039 18.086 ( 7.359 -8.295 -1.206) 11.154 18.753 ( 22.993 10.834 0.711) 25.428 18.855 ( 0.659 8.773 6.763) 11.097 19.172 ( 10.770 13.006 -3.155) 17.179 19.333 ( 21.338 4.947 -3.709) 22.216 19.898 ( 19.960 16.905 0.111) 26.157 21.568 ( -11.116 -11.179 3.268) 16.100 21.818 ( -8.387 -12.522 9.447) 17.788 21.904 ( -9.153 -4.520 -4.678) 11.229 22.146 ( -2.857 -0.063 5.629) 6.312 22.361 ( -1.092 3.552 -6.827) 7.773 23.475 ( -15.250 -8.670 -1.890) 17.644 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.288 6.431 -0.045) 6.437 2.025 ( 12.456 -1.814 1.177) 12.642 2.302 ( 11.813 11.665 2.996) 16.870 2.603 ( 7.399 -0.175 -7.583) 10.596 2.861 ( -8.004 -6.753 5.775) 11.959 3.187 ( -4.212 1.306 7.458) 8.664 3.303 ( -4.343 -0.813 -5.857) 7.337 3.425 ( 1.430 2.907 0.115) 3.242 3.640 ( 6.084 -3.519 -6.035) 9.263 3.763 ( 4.327 11.901 6.064) 14.040 3.992 ( 3.970 0.019 1.667) 4.306 4.295 ( 10.824 3.933 2.781) 11.848 4.461 ( 8.141 7.631 8.919) 14.285 4.544 ( -3.289 1.840 4.421) 5.809 4.648 ( 14.899 5.601 -17.803) 23.881 4.792 ( 2.048 -7.227 4.961) 9.002 5.003 ( 1.985 2.575 -1.881) 3.757 5.209 ( -7.783 0.161 -0.473) 7.799 5.283 ( -3.861 -2.495 0.525) 4.627 5.429 ( -0.473 -5.510 -2.419) 6.036 5.564 ( -1.827 -1.789 3.873) 4.641 5.643 ( -1.349 -2.724 -1.248) 3.286 5.778 ( -1.256 1.193 -1.920) 2.586 5.938 ( -11.913 -3.612 -0.547) 12.460 6.104 ( -2.823 1.627 1.935) 3.790 6.247 ( 6.541 4.992 -0.638) 8.253 6.448 ( 0.651 -0.991 6.201) 6.313 6.603 ( -1.311 -1.772 -2.398) 3.257 6.951 ( -7.237 -4.549 -0.078) 8.548 7.503 ( 0.459 -1.754 2.439) 3.039 7.781 ( -3.810 8.149 -5.658) 10.627 7.925 ( 7.663 0.318 -0.572) 7.691 8.537 ( 0.389 4.833 -0.219) 4.854 8.816 ( 5.380 -11.912 -3.517) 13.536 9.019 ( -4.543 11.277 0.550) 12.170 9.132 ( -0.817 -4.093 -2.108) 4.676 9.265 ( 1.590 -3.931 -2.119) 4.740 9.518 ( -3.276 -4.783 -1.357) 5.954 9.747 ( -2.238 3.206 -0.089) 3.911 9.859 ( -1.272 8.496 2.561) 8.965 9.931 ( -1.566 -3.861 -4.300) 5.987 10.300 ( 4.290 -4.429 7.306) 9.561 10.823 ( -10.259 -7.833 -3.130) 13.282 11.094 ( -3.941 -1.875 0.047) 4.365 11.529 ( -5.081 4.387 -1.991) 7.002 11.644 ( 4.230 -2.116 3.609) 5.949 11.754 ( 5.572 9.872 0.065) 11.336 11.983 ( 13.359 -3.831 1.202) 13.950 12.251 ( 0.908 5.406 3.209) 6.352 12.812 ( -7.951 1.750 0.362) 8.149 13.131 ( -6.396 -6.900 0.954) 9.457 13.466 ( -7.925 -5.187 -1.149) 9.541 13.674 ( 0.475 0.935 -3.202) 3.370 13.813 ( -2.892 -4.916 -1.954) 6.029 14.035 ( -1.126 -3.314 -3.978) 5.298 14.264 ( -3.724 0.492 1.872) 4.197 14.645 ( -5.438 -3.410 0.325) 6.427 14.912 ( 7.703 9.776 -4.713) 13.308 16.145 ( -8.362 -2.939 4.454) 9.920 16.703 ( -4.339 -14.161 12.170) 19.170 16.731 ( -7.347 -4.207 -0.111) 8.467 17.119 ( 7.257 0.785 -7.329) 10.344 17.584 ( -3.341 17.744 1.333) 18.105 18.130 ( 8.197 -9.093 -2.000) 12.405 18.846 ( -8.256 2.485 2.179) 8.893 19.273 ( 24.156 2.855 4.128) 24.672 19.501 ( 10.828 13.628 -5.257) 18.182 19.700 ( 14.050 6.540 -2.104) 15.640 20.320 ( 10.946 11.259 -0.878) 15.727 21.298 ( -7.573 -9.489 -0.623) 12.157 21.570 ( -10.912 -10.041 8.589) 17.137 21.688 ( -8.129 -2.661 1.963) 8.776 22.093 ( -6.277 -0.604 5.753) 8.536 22.376 ( 4.337 1.952 -10.061) 11.128 23.126 ( -12.742 -7.313 -1.945) 14.819 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -5.614 -3.724 26.071) 26.927 1.644 ( 1.506 12.060 18.405) 22.055 2.004 ( 12.033 -9.724 -16.395) 22.542 2.256 ( -8.987 4.282 -14.645) 17.708 2.923 ( -1.744 18.957 29.798) 35.360 3.224 ( 3.620 0.306 4.098) 5.477 3.260 ( 0.383 0.355 4.689) 4.718 3.421 ( -1.235 0.979 2.455) 2.918 3.452 ( 3.445 3.133 -4.621) 6.561 3.532 ( -3.164 0.221 -7.110) 7.785 3.669 ( -0.682 -3.415 1.098) 3.652 3.845 ( -0.524 5.960 -2.575) 6.513 3.922 ( -0.078 9.392 -6.328) 11.325 4.180 ( -0.116 10.242 -18.025) 20.732 4.703 ( -0.556 -0.621 1.154) 1.424 5.013 ( 3.718 -5.160 0.952) 6.431 5.112 ( -5.151 -0.803 1.500) 5.425 5.150 ( 2.398 1.695 0.262) 2.948 5.393 ( -1.051 -3.077 6.030) 6.851 5.492 ( -0.612 2.463 5.677) 6.219 5.604 ( 3.011 -0.067 -5.118) 5.938 5.664 ( -0.924 1.029 -7.649) 7.773 5.838 ( -0.570 3.449 -0.073) 3.497 5.892 ( 0.365 -1.612 -2.168) 2.726 6.000 ( 1.468 2.118 -0.232) 2.587 6.043 ( -1.985 4.268 0.400) 4.724 6.698 ( 0.194 -2.005 -0.793) 2.165 7.175 ( 0.623 -21.319 4.320) 21.761 7.528 ( -1.150 3.038 -4.174) 5.289 7.552 ( -1.940 1.536 -7.537) 7.933 7.602 ( 2.146 -14.621 3.045) 15.088 7.876 ( 0.550 -4.719 0.366) 4.765 8.594 ( -3.421 -5.636 3.375) 7.406 8.870 ( 15.997 5.175 -1.251) 16.860 9.023 ( -10.873 -4.430 -0.180) 11.742 9.094 ( 5.731 1.475 7.338) 9.427 9.139 ( -3.026 3.013 3.329) 5.415 9.309 ( -0.504 8.723 -2.944) 9.220 9.592 ( -1.041 11.289 -3.319) 11.813 9.998 ( -4.134 -1.222 3.361) 5.466 10.046 ( 4.323 1.745 3.443) 5.796 10.471 ( -2.943 -14.650 -4.251) 15.535 11.246 ( 2.937 -6.397 -1.501) 7.198 11.283 ( 1.093 -1.752 0.632) 2.160 11.352 ( -1.189 3.437 -4.583) 5.850 11.434 ( -1.209 9.949 -4.412) 10.951 11.678 ( -0.963 -6.358 -0.135) 6.432 11.951 ( 0.908 -3.741 0.148) 3.853 12.095 ( -0.423 7.043 0.380) 7.066 12.829 ( 2.237 2.967 13.393) 13.899 13.392 ( -2.237 -7.503 -6.049) 9.894 13.432 ( 0.110 2.348 0.727) 2.460 13.726 ( 0.329 -4.758 1.468) 4.990 13.967 ( 0.175 5.406 -0.436) 5.427 14.298 ( -1.588 10.020 1.608) 10.272 14.531 ( 1.387 -5.762 -4.197) 7.263 14.765 ( 2.040 -21.403 0.616) 21.509 14.929 ( 0.148 -6.416 0.440) 6.433 16.040 ( 0.457 14.315 -0.673) 14.338 17.197 ( -7.151 -13.671 8.621) 17.673 17.287 ( 7.296 -16.346 -0.945) 17.925 17.360 ( 0.006 -21.618 -2.319) 21.742 17.698 ( -8.002 -7.437 -4.894) 11.970 18.015 ( 4.259 6.531 -0.423) 7.809 18.223 ( -1.089 22.778 0.677) 22.814 18.681 ( 5.531 10.136 -1.580) 11.655 18.830 ( -6.153 19.820 -0.737) 20.766 19.006 ( 3.925 7.558 0.511) 8.532 19.302 ( 0.433 30.193 0.201) 30.197 21.910 ( 1.674 -13.869 0.750) 13.989 21.940 ( -4.025 -4.919 1.264) 6.480 22.116 ( -4.603 -7.700 3.386) 9.589 22.245 ( 0.444 -3.757 3.165) 4.933 22.335 ( 4.499 0.228 -5.117) 6.818 23.807 ( 0.038 -13.506 0.076) 13.506 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.008 -8.265 22.191) 23.681 1.781 ( -2.332 9.606 -4.202) 10.741 2.030 ( 4.148 6.039 -13.448) 15.314 2.272 ( 6.661 5.716 1.030) 8.838 3.179 ( 6.053 2.158 3.174) 7.167 3.193 ( -7.392 1.426 5.930) 9.583 3.330 ( -0.704 -2.745 -0.431) 2.866 3.401 ( -1.356 0.452 4.526) 4.746 3.495 ( 4.598 7.633 3.988) 9.763 3.566 ( 0.991 3.440 -5.593) 6.641 3.795 ( 9.576 5.122 15.631) 19.034 3.969 ( 11.240 10.459 -8.569) 17.582 4.022 ( 0.389 9.511 -2.295) 9.792 4.262 ( 4.329 10.308 -11.454) 16.006 4.683 ( -0.578 -0.853 -0.311) 1.076 4.932 ( -6.173 -3.933 -3.593) 8.153 5.074 ( -2.053 0.817 5.055) 5.516 5.192 ( 5.119 -3.195 -1.494) 6.217 5.385 ( -0.895 -2.440 5.840) 6.392 5.502 ( -3.012 1.000 -1.363) 3.454 5.589 ( -2.441 1.262 1.970) 3.381 5.656 ( 2.135 -1.352 -7.842) 8.239 5.828 ( -0.729 -2.305 -0.105) 2.419 5.966 ( 4.497 7.664 1.484) 9.009 6.047 ( 1.963 1.454 -1.614) 2.928 6.093 ( 2.349 3.681 1.239) 4.538 6.657 ( -1.801 -2.395 -1.197) 3.227 6.838 ( -12.599 -20.624 0.836) 24.182 7.327 ( -8.947 -14.104 1.556) 16.774 7.509 ( -2.222 1.912 3.033) 4.218 7.639 ( 6.205 1.326 -8.004) 10.214 7.867 ( 0.702 1.635 -1.325) 2.218 8.541 ( 1.173 -5.379 1.853) 5.808 8.774 ( -9.973 -1.652 -2.752) 10.477 9.081 ( 2.255 1.556 -8.077) 8.528 9.158 ( 1.422 0.413 2.151) 2.612 9.306 ( 10.292 0.628 -0.239) 10.314 9.380 ( -0.610 11.318 3.016) 11.729 9.677 ( 2.329 4.891 0.482) 5.439 9.933 ( -1.651 -5.052 0.110) 5.317 10.125 ( -0.740 3.352 2.390) 4.182 10.228 ( -5.194 -10.536 4.873) 12.717 11.125 ( -5.117 -10.069 -2.677) 11.607 11.247 ( -2.007 -4.039 -2.637) 5.224 11.413 ( 3.442 7.015 -0.643) 7.840 11.529 ( 3.165 0.792 -1.565) 3.618 11.637 ( 0.593 4.887 1.944) 5.293 11.910 ( -2.648 -0.902 -0.573) 2.856 12.169 ( 2.437 3.113 0.161) 3.957 12.907 ( 0.366 -1.007 1.001) 1.466 13.280 ( -1.802 -3.841 2.661) 5.008 13.495 ( 2.399 4.192 -2.016) 5.234 13.682 ( -0.775 -2.558 0.517) 2.722 13.976 ( -2.291 -2.247 0.730) 3.291 14.256 ( -8.685 -11.719 5.992) 15.769 14.458 ( -6.353 -9.585 -1.622) 11.613 14.632 ( 8.776 5.683 -9.547) 14.158 14.827 ( -4.280 -4.803 -0.922) 6.499 16.242 ( 5.109 10.476 -1.816) 11.796 16.927 ( -10.627 -13.787 12.265) 21.294 17.042 ( -9.656 -16.452 1.514) 19.137 17.194 ( -5.177 -4.666 -2.382) 7.365 17.481 ( 2.653 -9.004 -3.370) 9.973 18.197 ( -2.547 9.504 1.948) 10.031 18.467 ( 11.554 12.062 2.400) 16.874 18.921 ( 7.072 16.108 -6.386) 18.715 19.013 ( 11.446 9.670 -0.315) 14.987 19.325 ( 7.039 21.706 0.996) 22.841 19.707 ( 13.760 19.994 -4.172) 24.627 21.659 ( -8.328 -13.744 7.265) 17.636 21.840 ( -4.019 -11.749 8.577) 15.091 21.967 ( -5.379 -5.440 -2.587) 8.076 22.202 ( -3.057 -1.714 4.462) 5.673 22.345 ( 0.948 -1.681 -8.940) 9.146 23.566 ( -8.829 -15.357 -0.864) 17.735 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.441 1.211 11.606) 11.758 1.819 ( 4.707 3.864 -8.005) 10.058 2.245 ( 10.332 11.301 -0.575) 15.323 2.449 ( 5.934 3.427 0.649) 6.883 3.016 ( -11.184 -0.863 -0.269) 11.220 3.269 ( 0.253 -4.387 0.686) 4.448 3.284 ( 1.000 -1.185 2.675) 3.092 3.405 ( 2.216 -0.333 -2.715) 3.520 3.544 ( -0.750 1.035 -7.357) 7.467 3.720 ( 8.554 6.100 4.908) 11.596 4.075 ( -2.073 6.365 -0.842) 6.747 4.152 ( 12.087 8.096 12.274) 19.034 4.355 ( 16.293 16.468 -12.025) 26.101 4.450 ( 7.597 10.047 6.003) 13.953 4.665 ( 0.656 -2.296 0.541) 2.448 4.754 ( -7.786 -2.345 -2.275) 8.443 5.052 ( -3.242 1.667 2.168) 4.242 5.247 ( 4.296 -4.234 -0.710) 6.073 5.337 ( -5.732 -2.476 4.109) 7.474 5.404 ( -3.407 -1.571 -3.346) 5.027 5.580 ( 0.162 -5.543 -3.124) 6.365 5.602 ( -2.204 -0.706 2.846) 3.668 5.797 ( -0.763 -0.175 -0.512) 0.935 6.052 ( -2.225 -1.406 -2.174) 3.414 6.132 ( 2.696 1.540 5.621) 6.421 6.229 ( 5.880 10.655 -0.992) 12.210 6.468 ( -7.112 -9.871 -0.618) 12.181 6.589 ( -2.156 -2.122 -0.466) 3.061 7.019 ( -9.558 -12.046 -1.357) 15.437 7.506 ( -0.790 -0.285 3.727) 3.821 7.746 ( 7.444 1.640 -7.067) 10.395 7.915 ( 0.358 5.309 -0.443) 5.339 8.531 ( 4.719 -6.895 -0.494) 8.370 8.639 ( -3.521 0.651 -2.197) 4.201 9.029 ( -1.268 -3.578 -8.759) 9.546 9.192 ( 0.711 3.931 -0.512) 4.027 9.310 ( -6.452 1.501 -2.341) 7.026 9.492 ( -1.688 -2.462 3.599) 4.675 9.795 ( 4.045 4.672 1.645) 6.395 9.853 ( 2.343 -3.727 -2.589) 5.107 10.100 ( -8.318 9.917 3.289) 13.355 10.188 ( 4.502 -8.679 9.382) 13.551 10.882 ( -8.618 -9.735 -2.844) 13.309 11.159 ( -3.629 -1.759 1.071) 4.173 11.505 ( 6.511 -1.721 -2.605) 7.222 11.647 ( 2.875 1.834 0.969) 3.545 11.710 ( 1.066 7.107 -4.483) 8.470 11.880 ( 0.427 5.098 3.155) 6.010 12.262 ( 4.253 2.842 1.543) 5.342 12.850 ( -0.013 -7.764 -4.800) 9.128 13.175 ( -7.597 -6.463 2.900) 10.387 13.549 ( -1.025 2.862 -0.133) 3.043 13.688 ( -0.381 4.275 -0.325) 4.304 13.819 ( -8.369 -8.913 -0.230) 12.229 14.003 ( -3.452 -9.083 -1.396) 9.817 14.281 ( -2.007 -7.456 0.331) 7.728 14.692 ( -4.716 -4.756 -0.736) 6.738 14.869 ( 8.318 11.366 -5.963) 15.294 16.297 ( -5.691 -0.298 0.352) 5.709 16.686 ( -5.292 -12.710 7.592) 15.722 16.758 ( -7.696 -10.735 5.516) 14.314 17.111 ( -2.396 8.310 -6.461) 10.796 17.563 ( 13.121 -5.631 3.139) 14.620 18.212 ( -9.338 17.337 3.533) 20.006 18.866 ( 19.746 -0.275 7.200) 21.020 19.033 ( -2.736 6.971 -13.299) 15.263 19.376 ( 14.475 14.753 -1.029) 20.694 19.664 ( 4.761 20.410 0.683) 20.969 20.091 ( 18.599 3.444 -4.870) 19.532 21.431 ( -11.584 -4.939 2.967) 12.938 21.653 ( -6.678 -12.365 10.806) 17.728 21.810 ( -5.752 -2.803 5.137) 8.205 22.170 ( -1.332 -1.176 3.313) 3.760 22.267 ( -0.041 -4.002 -13.169) 13.764 23.231 ( -10.888 -12.843 -0.751) 16.854 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 16.160 0.530 0.981) 16.198 1.643 ( -14.378 -5.496 11.689) 19.328 1.899 ( -4.529 14.443 0.662) 15.151 2.382 ( -6.903 5.606 -13.317) 16.013 3.118 ( 1.661 -1.660 6.960) 7.346 3.231 ( 0.071 -0.797 5.873) 5.927 3.311 ( 0.455 -0.176 2.547) 2.593 3.410 ( 2.548 2.067 4.093) 5.245 3.470 ( -2.021 6.796 7.164) 10.079 3.571 ( -2.791 4.076 -6.008) 7.778 3.815 ( -9.951 8.493 8.570) 15.639 3.973 ( -3.471 8.069 -1.342) 8.886 4.044 ( -9.592 9.832 -10.950) 17.566 4.273 ( -3.981 11.999 -12.423) 17.724 4.688 ( 2.431 -1.078 -1.301) 2.961 4.885 ( 0.882 -7.117 3.558) 8.006 5.107 ( 6.046 3.190 0.722) 6.874 5.189 ( -3.601 -1.764 -1.712) 4.360 5.418 ( -0.705 -2.525 4.499) 5.207 5.496 ( 2.438 -2.792 -5.038) 6.254 5.544 ( 0.703 1.908 6.902) 7.196 5.661 ( -0.898 -0.384 -5.734) 5.816 5.831 ( 0.577 -2.661 -0.759) 2.826 5.972 ( -4.700 8.591 0.103) 9.793 6.029 ( -1.097 2.819 1.073) 3.210 6.123 ( -1.813 3.740 -2.632) 4.919 6.641 ( 3.068 -4.394 0.935) 5.440 6.838 ( 10.733 -20.025 0.995) 22.742 7.324 ( 9.457 -15.012 2.295) 17.890 7.566 ( 2.221 5.906 1.708) 6.537 7.581 ( -4.306 -1.876 -7.550) 8.892 7.852 ( -0.018 1.413 1.563) 2.107 8.569 ( 6.361 -3.328 -2.471) 7.593 8.706 ( -5.237 -7.523 7.491) 11.838 8.990 ( 3.002 -0.324 5.718) 6.466 9.174 ( -1.508 0.999 0.419) 1.857 9.311 ( 0.076 5.603 -0.993) 5.691 9.408 ( -10.381 6.502 -1.565) 12.349 9.711 ( -0.849 7.721 -4.432) 8.943 9.898 ( 7.908 -5.935 4.090) 10.700 10.135 ( -6.931 1.785 1.228) 7.262 10.312 ( 6.311 -6.052 -7.046) 11.229 11.100 ( 3.780 -10.269 0.734) 10.967 11.227 ( 2.206 -3.300 0.769) 4.043 11.415 ( -1.987 3.702 -0.701) 4.260 11.525 ( -0.262 5.249 -1.286) 5.410 11.664 ( -3.005 1.786 -1.877) 3.968 11.901 ( 0.366 -1.977 0.608) 2.101 12.170 ( -0.866 3.825 0.156) 3.925 12.838 ( 3.533 -1.621 10.666) 11.352 13.339 ( 0.297 -3.314 -5.314) 6.270 13.488 ( -2.355 3.890 -0.922) 4.640 13.684 ( -0.470 -2.237 0.061) 2.287 13.975 ( 0.621 -2.939 0.730) 3.091 14.312 ( 8.467 -17.340 -1.239) 19.337 14.449 ( 4.932 -10.759 -0.127) 11.836 14.544 ( -3.762 12.630 2.668) 13.446 14.821 ( 3.619 -5.895 0.326) 6.924 16.222 ( -3.414 9.855 1.209) 10.499 16.984 ( 6.686 -17.358 3.539) 18.934 17.072 ( 7.843 -12.807 -1.990) 15.149 17.177 ( -1.968 -6.156 -1.742) 6.694 17.495 ( 13.415 -2.518 -4.911) 14.506 18.239 ( -12.860 4.543 -4.733) 14.436 18.476 ( -4.818 16.066 0.868) 16.795 18.835 ( -6.306 12.373 7.108) 15.601 19.013 ( -4.577 13.495 -0.117) 14.251 19.345 ( -15.844 17.610 -2.052) 23.777 19.659 ( -8.834 19.741 3.185) 21.861 21.701 ( 6.247 -11.297 0.168) 12.910 21.922 ( 2.920 -5.592 -4.890) 7.982 21.990 ( 6.067 -8.694 -4.436) 11.492 22.197 ( 2.344 -3.245 9.765) 10.554 22.264 ( 0.424 -2.469 -1.549) 2.945 23.565 ( 8.879 -15.423 -0.631) 17.807 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -6.678 -9.412 4.917) 12.544 1.859 ( 11.938 7.504 -6.878) 15.688 1.994 ( -5.920 14.878 0.268) 16.015 2.358 ( -0.052 9.758 3.778) 10.463 3.088 ( 1.921 -5.772 -2.289) 6.500 3.304 ( -1.385 -0.833 4.683) 4.954 3.318 ( -0.245 -0.644 -4.541) 4.593 3.398 ( -0.447 -1.593 -4.224) 4.537 3.502 ( 2.630 2.524 9.988) 10.633 3.614 ( -2.625 9.545 -7.431) 12.378 3.932 ( -4.357 5.754 3.272) 7.924 3.967 ( 1.158 20.186 16.961) 26.391 4.091 ( 3.861 14.144 -5.963) 15.828 4.310 ( -1.426 11.670 -9.153) 14.900 4.677 ( -1.454 -1.993 -2.354) 3.410 4.904 ( 8.127 -5.283 0.127) 9.694 5.011 ( -5.282 -3.496 -4.996) 8.067 5.234 ( -2.575 0.650 5.545) 6.148 5.392 ( -0.805 -2.453 3.148) 4.072 5.504 ( 5.164 -3.794 -6.746) 9.304 5.579 ( -1.149 2.441 -1.743) 3.211 5.637 ( -0.388 -0.161 2.379) 2.415 5.810 ( 0.465 -2.603 0.948) 2.809 6.021 ( -0.342 5.187 3.365) 6.192 6.044 ( -1.386 5.702 -1.628) 6.090 6.123 ( -0.823 3.074 -1.452) 3.497 6.635 ( 0.089 -3.261 -1.504) 3.592 6.710 ( 1.183 -21.497 0.543) 21.536 7.239 ( 0.189 -17.320 -0.034) 17.321 7.532 ( 1.233 0.730 -4.421) 4.647 7.644 ( -2.904 5.605 4.743) 7.895 7.857 ( 0.244 1.460 -1.362) 2.011 8.523 ( -3.473 -2.412 1.459) 4.473 8.840 ( 14.575 -2.961 -0.258) 14.875 9.002 ( -7.299 1.118 -0.832) 7.431 9.157 ( -0.157 -0.820 1.263) 1.514 9.197 ( -0.539 3.159 3.000) 4.390 9.515 ( 2.415 6.638 3.420) 7.848 9.719 ( -2.765 4.844 -5.481) 7.820 9.936 ( -6.239 -4.045 -5.025) 8.975 10.020 ( 5.501 -9.677 6.674) 12.978 10.295 ( -0.972 1.367 -2.334) 2.874 11.050 ( 1.300 -11.606 2.265) 11.896 11.196 ( -0.372 -5.283 -0.607) 5.330 11.497 ( 1.121 10.729 0.028) 10.788 11.552 ( -6.106 0.197 -0.447) 6.126 11.622 ( 3.756 3.055 -0.051) 4.842 11.883 ( 2.535 -0.065 -1.428) 2.910 12.212 ( -1.290 4.092 -1.113) 4.432 12.908 ( -1.657 -1.688 -0.313) 2.386 13.265 ( 0.498 -4.309 1.727) 4.669 13.509 ( 0.247 3.402 -0.586) 3.461 13.640 ( 0.433 -3.478 2.729) 4.442 13.967 ( 1.525 -4.433 0.429) 4.707 14.228 ( 1.376 -19.074 0.970) 19.148 14.394 ( -0.590 -9.203 -0.533) 9.237 14.602 ( -2.114 12.142 1.722) 12.445 14.804 ( 0.414 -4.529 -2.088) 5.004 16.270 ( -0.620 5.044 -3.907) 6.410 16.935 ( 3.450 -13.248 5.085) 14.604 16.975 ( -1.450 -12.934 0.025) 13.015 17.076 ( 3.593 -7.656 -0.793) 8.494 17.546 ( -11.498 -0.849 -4.978) 12.558 18.074 ( 7.671 1.682 0.643) 7.879 18.718 ( -4.330 20.438 5.267) 21.545 18.934 ( 3.723 12.412 -4.212) 13.625 19.148 ( -4.622 12.915 0.094) 13.718 19.304 ( 5.262 21.048 0.490) 21.701 19.900 ( -0.802 25.768 -0.009) 25.781 21.580 ( -0.262 -16.933 2.165) 17.073 21.836 ( -3.508 -7.895 2.304) 8.941 21.919 ( 1.395 -11.281 -4.070) 12.073 22.238 ( 3.163 -0.942 -6.252) 7.070 22.258 ( -1.716 -2.813 7.167) 7.888 23.464 ( 0.015 -18.145 -0.272) 18.147 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 4.620 -6.196 6.185) 9.899 1.962 ( -6.487 13.796 -6.960) 16.759 2.164 ( 9.341 13.610 -1.976) 16.624 2.508 ( -0.507 8.057 9.432) 12.415 3.075 ( 6.548 -7.106 -9.594) 13.617 3.171 ( -7.082 -3.624 -4.507) 9.143 3.270 ( -0.132 -2.863 4.220) 5.101 3.424 ( -0.558 1.360 0.662) 1.613 3.567 ( -4.571 2.931 -5.357) 7.628 3.682 ( 6.496 7.611 4.531) 10.984 4.016 ( 5.168 3.815 0.764) 6.469 4.230 ( 3.405 12.247 -2.014) 12.870 4.343 ( 2.844 17.945 -0.988) 18.196 4.467 ( 7.798 14.924 11.804) 20.564 4.601 ( -0.247 -4.418 -4.200) 6.101 4.871 ( -5.916 -0.805 -3.871) 7.116 5.040 ( 8.539 -0.858 -0.426) 8.592 5.173 ( -3.375 -2.739 3.651) 5.676 5.347 ( 0.581 -5.705 2.409) 6.220 5.460 ( -4.514 -1.429 -3.890) 6.127 5.559 ( -2.486 -0.626 -2.995) 3.942 5.650 ( -0.847 0.699 3.534) 3.700 5.787 ( -0.571 -3.878 0.240) 3.927 6.007 ( 1.451 -5.291 1.614) 5.718 6.113 ( 1.111 -1.757 2.479) 3.235 6.205 ( 5.937 9.377 -2.743) 11.433 6.476 ( -4.669 -6.692 -5.128) 9.638 6.618 ( -1.881 -3.082 2.154) 4.204 7.020 ( -5.970 -13.521 -1.346) 14.841 7.550 ( -0.184 -1.163 3.478) 3.672 7.639 ( 0.027 2.794 -3.548) 4.516 7.926 ( 3.491 5.594 -0.684) 6.629 8.457 ( -2.765 -2.040 0.718) 3.510 8.776 ( -9.584 1.603 -2.183) 9.959 8.996 ( 1.561 0.642 -6.706) 6.915 9.211 ( 1.262 0.491 2.184) 2.570 9.292 ( 4.041 -0.432 -0.923) 4.168 9.582 ( -3.417 -2.873 5.821) 7.336 9.721 ( 2.502 2.873 -4.259) 5.714 9.793 ( 3.170 0.265 0.205) 3.188 10.040 ( 3.371 -11.592 8.648) 14.850 10.306 ( -2.645 6.823 -0.868) 7.369 10.907 ( -5.141 -10.433 0.908) 11.666 11.148 ( 1.214 -4.209 0.654) 4.429 11.443 ( -2.426 0.034 -2.200) 3.275 11.619 ( 0.909 6.042 2.032) 6.439 11.726 ( 3.740 0.827 -3.116) 4.938 11.986 ( 0.078 10.772 -1.867) 10.932 12.210 ( 2.448 1.571 -0.576) 2.965 12.768 ( -4.266 -6.200 -5.258) 9.181 13.222 ( -3.171 -7.956 1.965) 8.787 13.552 ( 2.338 0.167 0.123) 2.347 13.666 ( 1.844 -2.399 2.846) 4.154 13.921 ( -0.128 -6.889 -0.588) 6.915 13.993 ( -10.061 -6.395 4.461) 12.728 14.246 ( -4.513 -7.221 -1.570) 8.659 14.697 ( -1.904 -6.109 0.388) 6.410 14.810 ( 6.907 11.677 -3.991) 14.141 16.255 ( 2.052 -6.662 -4.050) 8.062 16.741 ( -8.984 -10.189 -3.265) 13.971 16.859 ( -4.483 -4.346 9.509) 11.376 17.250 ( 9.712 6.230 6.548) 13.267 17.261 ( -6.102 -5.463 -7.520) 11.118 18.373 ( 15.390 3.634 6.517) 17.104 18.736 ( -3.921 9.765 -2.245) 10.760 19.121 ( -4.112 12.856 -4.335) 14.177 19.335 ( 9.002 18.094 -2.121) 20.321 19.717 ( 16.921 14.688 1.085) 22.433 20.017 ( -8.332 15.325 -2.915) 17.685 21.482 ( 1.670 -9.252 3.582) 10.061 21.657 ( -5.993 -12.221 4.165) 14.234 21.820 ( 1.100 -9.585 3.465) 10.251 22.143 ( -1.841 -5.917 -9.176) 11.072 22.266 ( -3.483 3.015 2.682) 5.331 23.231 ( -5.667 -15.849 0.606) 16.842 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.000 0.000 17.548) 17.548 1.557 ( 0.000 0.000 17.548) 17.548 2.139 ( -0.000 -0.000 -14.364) 14.364 2.139 ( 0.000 -0.000 -14.364) 14.364 2.788 ( 0.000 0.000 36.633) 36.633 3.268 ( 0.000 0.000 1.612) 1.612 3.268 ( 0.000 0.000 1.612) 1.612 3.288 ( -0.000 -0.000 -12.809) 12.809 3.509 ( 0.000 -0.000 -1.153) 1.153 3.509 ( 0.000 -0.000 -1.153) 1.153 3.626 ( -0.000 -0.000 -5.103) 5.103 3.821 ( -0.000 0.000 0.516) 0.516 3.821 ( 0.000 0.000 0.516) 0.516 3.975 ( -0.000 -0.000 -15.124) 15.124 4.726 ( 0.000 0.000 2.214) 2.214 5.073 ( -0.000 -0.000 -0.323) 0.323 5.129 ( 0.000 0.000 1.147) 1.147 5.129 ( 0.000 0.000 1.147) 1.147 5.469 ( 0.000 0.000 4.823) 4.823 5.469 ( 0.000 0.000 4.823) 4.823 5.601 ( 0.000 -0.000 -5.381) 5.381 5.601 ( -0.000 -0.000 -5.381) 5.381 5.784 ( -0.000 -0.000 -0.757) 0.757 5.957 ( -0.000 -0.000 -0.405) 0.405 5.966 ( -0.000 -0.000 -0.446) 0.446 5.966 ( 0.000 -0.000 -0.446) 0.446 6.719 ( -0.000 -0.000 -0.193) 0.193 7.433 ( 0.000 0.000 1.238) 1.238 7.484 ( 0.000 -0.000 -2.839) 2.839 7.484 ( 0.000 -0.000 -2.839) 2.839 7.773 ( 0.000 0.000 3.152) 3.152 8.026 ( -0.000 -0.000 -1.634) 1.634 8.694 ( -0.000 0.000 0.648) 0.648 8.694 ( -0.000 0.000 0.648) 0.648 9.088 ( -0.000 0.000 6.327) 6.327 9.088 ( 0.000 0.000 6.327) 6.327 9.193 ( 0.000 -0.000 -2.925) 2.925 9.193 ( 0.000 -0.000 -2.925) 2.925 9.401 ( -0.000 -0.000 -1.375) 1.375 10.027 ( -0.000 0.000 1.921) 1.921 10.027 ( -0.000 0.000 1.921) 1.921 10.673 ( -0.000 -0.000 -2.538) 2.538 11.222 ( 0.000 -0.000 -2.862) 2.862 11.222 ( -0.000 -0.000 -2.862) 2.862 11.360 ( 0.000 -0.000 -0.915) 0.915 11.360 ( -0.000 -0.000 -0.915) 0.915 11.782 ( -0.000 -0.000 -0.585) 0.585 11.991 ( -0.000 0.000 0.461) 0.461 11.991 ( 0.000 0.000 0.461) 0.461 12.853 ( 0.000 0.000 11.062) 11.062 13.360 ( -0.000 -0.000 -4.751) 4.751 13.575 ( -0.000 -0.000 -2.321) 2.321 13.785 ( 0.000 0.000 0.670) 0.670 13.785 ( 0.000 0.000 0.670) 0.670 14.199 ( 0.000 0.000 0.532) 0.532 14.593 ( -0.000 -0.000 -1.484) 1.484 15.024 ( 0.000 0.000 0.584) 0.584 15.024 ( 0.000 0.000 0.584) 0.584 15.862 ( -0.000 -0.000 -0.201) 0.201 17.360 ( 0.000 0.000 0.412) 0.412 17.692 ( 0.000 0.000 1.984) 1.984 17.692 ( 0.000 0.000 1.984) 1.984 17.789 ( 0.000 0.000 -3.188) 3.188 17.789 ( -0.000 -0.000 -3.188) 3.188 17.839 ( 0.000 0.000 0.035) 0.035 18.592 ( -0.000 -0.000 -0.364) 0.364 18.592 ( -0.000 -0.000 -0.364) 0.364 18.913 ( 0.000 0.000 0.748) 0.748 18.913 ( 0.000 0.000 0.748) 0.748 22.014 ( 0.000 0.000 0.322) 0.322 22.014 ( 0.000 0.000 0.322) 0.322 22.249 ( -0.000 -0.000 -0.233) 0.233 22.301 ( -0.000 0.000 -0.269) 0.269 22.301 ( 0.000 -0.000 -0.269) 0.269 23.959 ( 0.000 0.000 0.270) 0.270 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -3.646 -0.531 9.534) 10.221 1.677 ( 7.860 -1.808 3.923) 8.969 1.882 ( -10.880 1.283 -3.229) 11.421 2.190 ( 8.352 1.774 -8.691) 12.184 3.125 ( 5.975 3.806 2.867) 7.642 3.233 ( 5.035 0.028 18.968) 19.625 3.305 ( 1.196 3.550 -0.693) 3.809 3.334 ( 5.481 3.016 -5.940) 8.627 3.442 ( -3.528 -0.493 5.717) 6.736 3.513 ( 1.064 -0.260 -8.749) 8.817 3.740 ( 7.211 3.162 -7.145) 10.632 3.823 ( 5.197 4.789 -5.764) 9.119 3.855 ( 3.907 0.568 4.143) 5.723 4.077 ( 8.331 4.908 -1.684) 9.815 4.708 ( -1.467 -0.938 0.288) 1.765 5.019 ( -4.188 -2.529 0.340) 4.905 5.080 ( -3.881 -2.026 3.865) 5.840 5.188 ( 3.658 2.396 -3.348) 5.508 5.455 ( -2.262 -1.279 -1.951) 3.250 5.502 ( 2.676 -0.257 5.128) 5.790 5.559 ( -2.545 0.208 2.174) 3.353 5.626 ( 2.194 1.150 -4.978) 5.560 5.845 ( 5.315 3.094 -0.284) 6.156 5.878 ( -3.066 -1.803 -0.803) 3.646 5.995 ( 2.162 1.599 0.508) 2.737 6.050 ( 3.751 1.778 -0.455) 4.176 6.694 ( -2.029 -1.123 -0.008) 2.319 7.203 ( -19.077 -10.980 -0.013) 22.011 7.484 ( 0.738 0.474 2.822) 2.956 7.507 ( -0.163 -0.912 -0.707) 1.165 7.636 ( -9.176 -4.559 -2.872) 10.641 7.878 ( -3.769 -1.950 0.482) 4.270 8.629 ( -5.343 -2.311 -1.624) 6.043 8.848 ( 6.117 -0.772 1.928) 6.460 8.986 ( -5.954 2.346 4.302) 7.711 9.164 ( 0.618 0.676 -2.120) 2.310 9.183 ( 0.175 -0.243 -2.501) 2.519 9.287 ( 12.211 5.153 -0.665) 13.270 9.562 ( 8.141 4.777 0.852) 9.477 9.996 ( -3.172 -1.046 3.444) 4.798 10.080 ( 3.351 1.079 -1.016) 3.664 10.453 ( -12.336 -7.601 -1.302) 14.548 11.244 ( -3.101 -1.153 -1.353) 3.574 11.295 ( -2.983 -1.048 -0.597) 3.217 11.320 ( 2.667 0.652 -0.188) 2.752 11.404 ( 8.878 5.197 0.015) 10.287 11.677 ( -5.093 -3.481 -0.253) 6.174 11.947 ( -3.633 -1.718 0.731) 4.084 12.099 ( 5.864 3.212 -0.226) 6.690 12.901 ( 0.420 1.162 4.231) 4.407 13.352 ( -1.669 -1.515 -3.274) 3.975 13.445 ( -0.951 -0.682 0.307) 1.210 13.739 ( -3.620 -2.198 -0.515) 4.267 13.963 ( 5.298 3.051 0.304) 6.122 14.304 ( 9.884 5.097 0.819) 11.151 14.507 ( -6.921 -3.676 -0.784) 7.875 14.771 ( -18.378 -9.556 -0.388) 20.717 14.931 ( -6.064 -3.691 0.124) 7.100 16.033 ( 11.550 6.851 0.459) 13.437 17.226 ( -8.248 -8.622 4.817) 12.867 17.319 ( -17.516 -9.284 -5.411) 20.550 17.335 ( -16.352 -6.820 0.620) 17.728 17.658 ( -8.939 -4.996 1.003) 10.290 18.017 ( 5.829 2.597 -0.737) 6.424 18.232 ( 21.861 11.676 -0.735) 24.795 18.666 ( 9.221 3.974 0.688) 10.064 18.828 ( 13.125 15.312 -0.417) 20.171 19.009 ( 9.404 -0.820 0.139) 9.441 19.305 ( 25.150 16.023 -0.125) 29.821 21.883 ( -9.895 -6.187 2.454) 11.925 21.988 ( -3.295 -1.378 -4.221) 5.529 22.127 ( -8.563 -6.477 2.061) 10.932 22.258 ( -1.845 -2.849 4.503) 5.639 22.308 ( -1.032 2.208 -4.224) 4.877 23.807 ( -11.950 -6.889 0.022) 13.793 =================== 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 3/54675 10.0 650.268 650.268 1491.665 0.000 -0.000 0.000 3/54675 20.0 133.014 133.014 192.715 0.000 -0.000 0.000 3/54675 30.0 54.626 54.626 74.775 0.000 -0.000 0.000 3/54675 40.0 30.035 30.035 40.651 0.000 -0.000 0.000 3/54675 50.0 19.428 19.428 26.094 0.000 -0.000 0.000 3/54675 60.0 13.922 13.922 18.566 0.000 -0.000 0.000 3/54675 70.0 10.677 10.677 14.150 0.000 -0.000 0.000 3/54675 80.0 8.585 8.585 11.319 0.000 -0.000 0.000 3/54675 90.0 7.146 7.146 9.380 0.000 -0.000 0.000 3/54675 100.0 6.107 6.107 7.984 0.000 -0.000 0.000 3/54675 110.0 5.328 5.328 6.940 0.000 -0.000 0.000 3/54675 120.0 4.726 4.726 6.133 0.000 -0.000 0.000 3/54675 130.0 4.249 4.249 5.495 0.000 -0.000 0.000 3/54675 140.0 3.863 3.863 4.978 0.000 -0.000 0.000 3/54675 150.0 3.545 3.545 4.552 0.000 -0.000 0.000 3/54675 160.0 3.278 3.278 4.195 0.000 -0.000 0.000 3/54675 170.0 3.053 3.053 3.893 0.000 -0.000 0.000 3/54675 180.0 2.859 2.859 3.633 0.000 -0.000 0.000 3/54675 190.0 2.690 2.690 3.407 0.000 -0.000 0.000 3/54675 200.0 2.543 2.543 3.210 0.000 -0.000 0.000 3/54675 210.0 2.412 2.412 3.035 0.000 -0.000 0.000 3/54675 220.0 2.296 2.296 2.880 0.000 -0.000 0.000 3/54675 230.0 2.192 2.192 2.740 0.000 -0.000 0.000 3/54675 240.0 2.097 2.097 2.615 0.000 -0.000 0.000 3/54675 250.0 2.011 2.011 2.501 0.000 -0.000 0.000 3/54675 260.0 1.933 1.933 2.397 0.000 -0.000 0.000 3/54675 270.0 1.861 1.861 2.302 0.000 -0.000 0.000 3/54675 280.0 1.795 1.795 2.215 0.000 -0.000 0.000 3/54675 290.0 1.733 1.733 2.134 0.000 -0.000 0.000 3/54675 300.0 1.676 1.676 2.060 0.000 -0.000 0.000 3/54675 310.0 1.623 1.623 1.990 0.000 -0.000 0.000 3/54675 320.0 1.573 1.573 1.926 0.000 -0.000 0.000 3/54675 330.0 1.527 1.527 1.865 0.000 -0.000 0.000 3/54675 340.0 1.483 1.483 1.809 0.000 -0.000 0.000 3/54675 350.0 1.442 1.442 1.756 0.000 -0.000 0.000 3/54675 360.0 1.403 1.403 1.706 0.000 -0.000 0.000 3/54675 370.0 1.366 1.366 1.659 0.000 -0.000 0.000 3/54675 380.0 1.332 1.332 1.614 0.000 -0.000 0.000 3/54675 390.0 1.299 1.299 1.572 0.000 -0.000 0.000 3/54675 400.0 1.267 1.267 1.532 0.000 -0.000 0.000 3/54675 410.0 1.237 1.237 1.494 0.000 -0.000 0.000 3/54675 420.0 1.209 1.209 1.458 0.000 -0.000 0.000 3/54675 430.0 1.182 1.182 1.424 0.000 -0.000 0.000 3/54675 440.0 1.156 1.156 1.391 0.000 -0.000 0.000 3/54675 450.0 1.131 1.131 1.360 0.000 -0.000 0.000 3/54675 460.0 1.107 1.107 1.330 0.000 -0.000 0.000 3/54675 470.0 1.084 1.084 1.302 0.000 -0.000 0.000 3/54675 480.0 1.063 1.063 1.275 0.000 -0.000 0.000 3/54675 490.0 1.042 1.042 1.249 0.000 -0.000 0.000 3/54675 500.0 1.021 1.021 1.224 0.000 -0.000 0.000 3/54675 510.0 1.002 1.002 1.199 0.000 -0.000 0.000 3/54675 520.0 0.983 0.983 1.176 0.000 -0.000 0.000 3/54675 530.0 0.965 0.965 1.154 0.000 -0.000 0.000 3/54675 540.0 0.948 0.948 1.133 0.000 -0.000 0.000 3/54675 550.0 0.931 0.931 1.112 0.000 -0.000 0.000 3/54675 560.0 0.915 0.915 1.092 0.000 -0.000 0.000 3/54675 570.0 0.900 0.900 1.073 0.000 -0.000 0.000 3/54675 580.0 0.885 0.885 1.054 0.000 -0.000 0.000 3/54675 590.0 0.870 0.870 1.037 0.000 -0.000 0.000 3/54675 600.0 0.856 0.856 1.019 0.000 -0.000 0.000 3/54675 610.0 0.842 0.842 1.003 0.000 -0.000 0.000 3/54675 620.0 0.829 0.829 0.986 0.000 -0.000 0.000 3/54675 630.0 0.816 0.816 0.971 0.000 -0.000 0.000 3/54675 640.0 0.804 0.804 0.956 0.000 -0.000 0.000 3/54675 650.0 0.792 0.792 0.941 0.000 -0.000 0.000 3/54675 660.0 0.780 0.780 0.927 0.000 -0.000 0.000 3/54675 670.0 0.769 0.769 0.913 0.000 -0.000 0.000 3/54675 680.0 0.758 0.758 0.900 0.000 -0.000 0.000 3/54675 690.0 0.747 0.747 0.886 0.000 -0.000 0.000 3/54675 700.0 0.736 0.736 0.874 0.000 -0.000 0.000 3/54675 710.0 0.726 0.726 0.862 0.000 -0.000 0.000 3/54675 720.0 0.716 0.716 0.850 0.000 -0.000 0.000 3/54675 730.0 0.707 0.707 0.838 0.000 -0.000 0.000 3/54675 740.0 0.697 0.697 0.827 0.000 -0.000 0.000 3/54675 750.0 0.688 0.688 0.816 0.000 -0.000 0.000 3/54675 760.0 0.679 0.679 0.805 0.000 -0.000 0.000 3/54675 770.0 0.671 0.671 0.795 0.000 -0.000 0.000 3/54675 780.0 0.662 0.662 0.784 0.000 -0.000 0.000 3/54675 790.0 0.654 0.654 0.774 0.000 -0.000 0.000 3/54675 800.0 0.646 0.646 0.765 0.000 -0.000 0.000 3/54675 810.0 0.638 0.638 0.755 0.000 -0.000 0.000 3/54675 820.0 0.631 0.631 0.746 0.000 -0.000 0.000 3/54675 830.0 0.623 0.623 0.737 0.000 -0.000 0.000 3/54675 840.0 0.616 0.616 0.728 0.000 -0.000 0.000 3/54675 850.0 0.609 0.609 0.720 0.000 -0.000 0.000 3/54675 860.0 0.602 0.602 0.712 0.000 -0.000 0.000 3/54675 870.0 0.595 0.595 0.703 0.000 -0.000 0.000 3/54675 880.0 0.588 0.588 0.695 0.000 -0.000 0.000 3/54675 890.0 0.582 0.582 0.688 0.000 -0.000 0.000 3/54675 900.0 0.576 0.576 0.680 0.000 -0.000 0.000 3/54675 910.0 0.569 0.569 0.673 0.000 -0.000 0.000 3/54675 920.0 0.563 0.563 0.665 0.000 -0.000 0.000 3/54675 930.0 0.557 0.557 0.658 0.000 -0.000 0.000 3/54675 940.0 0.551 0.551 0.651 0.000 -0.000 0.000 3/54675 950.0 0.546 0.546 0.644 0.000 -0.000 0.000 3/54675 960.0 0.540 0.540 0.638 0.000 -0.000 0.000 3/54675 970.0 0.535 0.535 0.631 0.000 -0.000 0.000 3/54675 980.0 0.529 0.529 0.625 0.000 -0.000 0.000 3/54675 990.0 0.524 0.524 0.618 0.000 -0.000 0.000 3/54675 1000.0 0.519 0.519 0.612 0.000 -0.000 0.000 3/54675 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:15:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|