----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:20:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872141085222998 -3.000723734999999 0.000000000000000 b 4.872141085222998 3.000723734999999 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): *1 Ca 0.19561898016907 0.67578639440869 0.00087898665064 40.078 *2 Ca 0.62073549177362 0.37926450822638 0.25000000000000 40.078 *3 Ca 0.75773837157224 0.93486471865965 0.78325988664331 40.078 4 Ca 0.37926450822638 0.62073549177362 0.75000000000000 40.078 5 Ca 0.32421360559131 0.80438101983093 0.49912101334936 40.078 6 Ca 0.67578639440869 0.19561898016907 0.50087898665064 40.078 7 Ca 0.93486471865965 0.75773837157224 0.28325988664331 40.078 8 Ca 0.80438101983093 0.32421360559131 0.99912101334936 40.078 9 Ca 0.24226162842776 0.06513528134035 0.21674011335669 40.078 10 Ca 0.06513528134035 0.24226162842776 0.71674011335669 40.078 *11 Si 0.64791542038129 0.90588589514742 0.07617084021571 28.085 12 Si 0.90588589514742 0.64791542038129 0.57617084021571 28.085 13 Si 0.09411410485258 0.35208457961871 0.42382915978429 28.085 14 Si 0.35208457961871 0.09411410485258 0.92382915978429 28.085 *15 N 0.30952882577259 0.39014557065092 0.35180953626194 14.007 *16 N 0.98490203478933 0.90158325123085 0.62775532691583 14.007 *17 N 0.20918019790108 0.34403200489673 0.56345468332907 14.007 18 N 0.90158325123085 0.98490203478933 0.12775532691583 14.007 19 N 0.69047117422741 0.60985442934909 0.64819046373806 14.007 20 N 0.79081980209892 0.65596799510327 0.43654531667093 14.007 21 N 0.09841674876915 0.01509796521067 0.87224467308417 14.007 22 N 0.39014557065091 0.30952882577259 0.85180953626194 14.007 23 N 0.65596799510327 0.79081980209892 0.93654531667093 14.007 24 N 0.01509796521067 0.09841674876915 0.37224467308417 14.007 25 N 0.34403200489673 0.20918019790108 0.06345468332907 14.007 26 N 0.60985442934909 0.69047117422741 0.14819046373806 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.744282170445997 0.000000000000000 0.000000000000000 b 0.000000000000000 6.001447469999999 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): *1 Ca 0.43570268728888 0.24008370711981 0.00087898665064 40.078 > 1 *2 Ca 0.50000000000000 0.87926450822638 0.25000000000000 40.078 > 2 *3 Ca 0.84630154511595 0.08856317354371 0.78325988664331 40.078 > 3 4 Ca 0.50000000000000 0.12073549177362 0.75000000000000 40.078 > 4 5 Ca 0.56429731271112 0.24008370711981 0.49912101334936 40.078 > 5 6 Ca 0.43570268728888 0.75991629288019 0.50087898665064 40.078 > 6 7 Ca 0.84630154511595 0.91143682645629 0.28325988664331 40.078 > 7 8 Ca 0.56429731271112 0.75991629288019 0.99912101334936 40.078 > 8 9 Ca 0.15369845488406 0.91143682645629 0.21674011335669 40.078 > 9 10 Ca 0.15369845488406 0.08856317354371 0.71674011335669 40.078 > 10 11 Ca 0.93570268728888 0.74008370711981 0.00087898665064 40.078 > 1 12 Ca 0.00000000000000 0.37926450822638 0.25000000000000 40.078 > 2 13 Ca 0.34630154511595 0.58856317354371 0.78325988664331 40.078 > 3 14 Ca 0.00000000000000 0.62073549177362 0.75000000000000 40.078 > 4 15 Ca 0.06429731271112 0.74008370711981 0.49912101334936 40.078 > 5 16 Ca 0.93570268728888 0.25991629288019 0.50087898665064 40.078 > 6 17 Ca 0.34630154511595 0.41143682645629 0.28325988664331 40.078 > 7 18 Ca 0.06429731271112 0.25991629288019 0.99912101334936 40.078 > 8 19 Ca 0.65369845488405 0.41143682645629 0.21674011335669 40.078 > 9 20 Ca 0.65369845488405 0.58856317354371 0.71674011335669 40.078 > 10 *21 Si 0.77690065776436 0.12898523738306 0.07617084021571 28.085 > 11 22 Si 0.77690065776436 0.87101476261694 0.57617084021571 28.085 > 12 23 Si 0.22309934223565 0.12898523738306 0.42382915978429 28.085 > 13 24 Si 0.22309934223565 0.87101476261694 0.92382915978429 28.085 > 14 25 Si 0.27690065776436 0.62898523738306 0.07617084021571 28.085 > 11 26 Si 0.27690065776436 0.37101476261694 0.57617084021571 28.085 > 12 27 Si 0.72309934223564 0.62898523738306 0.42382915978429 28.085 > 13 28 Si 0.72309934223564 0.37101476261694 0.92382915978429 28.085 > 14 *29 N 0.34983719821175 0.04030837243916 0.35180953626194 14.007 > 15 *30 N 0.94324264301009 0.95834060822076 0.62775532691583 14.007 > 16 *31 N 0.27660610139891 0.06742590349782 0.56345468332907 14.007 > 17 32 N 0.94324264301009 0.04165939177924 0.12775532691583 14.007 > 18 33 N 0.65016280178825 0.95969162756084 0.64819046373806 14.007 > 19 34 N 0.72339389860110 0.93257409650218 0.43654531667093 14.007 > 20 35 N 0.05675735698991 0.95834060822076 0.87224467308417 14.007 > 21 36 N 0.34983719821175 0.95969162756084 0.85180953626194 14.007 > 22 37 N 0.72339389860110 0.06742590349782 0.93654531667093 14.007 > 23 38 N 0.05675735698991 0.04165939177924 0.37224467308417 14.007 > 24 39 N 0.27660610139891 0.93257409650218 0.06345468332907 14.007 > 25 40 N 0.65016280178825 0.04030837243916 0.14819046373806 14.007 > 26 41 N 0.84983719821175 0.54030837243916 0.35180953626194 14.007 > 15 42 N 0.44324264301009 0.45834060822076 0.62775532691583 14.007 > 16 43 N 0.77660610139890 0.56742590349782 0.56345468332907 14.007 > 17 44 N 0.44324264301009 0.54165939177924 0.12775532691583 14.007 > 18 45 N 0.15016280178825 0.45969162756084 0.64819046373806 14.007 > 19 46 N 0.22339389860109 0.43257409650218 0.43654531667093 14.007 > 20 47 N 0.55675735698991 0.45834060822076 0.87224467308417 14.007 > 21 48 N 0.84983719821175 0.45969162756084 0.85180953626194 14.007 > 22 49 N 0.22339389860109 0.56742590349782 0.93654531667093 14.007 > 23 50 N 0.55675735698991 0.54165939177924 0.37224467308417 14.007 > 24 51 N 0.77660610139890 0.43257409650218 0.06345468332907 14.007 > 25 52 N 0.15016280178825 0.54030837243916 0.14819046373806 14.007 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.744282170445997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.002894939999997 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): *1 Ca 0.43570268728888 0.12004185355991 0.00087898665064 40.078 > 1 2 Ca 0.43570268728888 0.62004185355991 0.00087898665064 40.078 > 1 *3 Ca 0.50000000000000 0.43963225411319 0.25000000000000 40.078 > 2 4 Ca 0.50000000000000 0.93963225411319 0.25000000000000 40.078 > 2 *5 Ca 0.84630154511595 0.04428158677185 0.78325988664331 40.078 > 3 6 Ca 0.84630154511595 0.54428158677185 0.78325988664331 40.078 > 3 7 Ca 0.50000000000000 0.06036774588681 0.75000000000000 40.078 > 4 8 Ca 0.50000000000000 0.56036774588681 0.75000000000000 40.078 > 4 9 Ca 0.56429731271112 0.12004185355991 0.49912101334936 40.078 > 5 10 Ca 0.56429731271112 0.62004185355991 0.49912101334936 40.078 > 5 11 Ca 0.43570268728888 0.37995814644009 0.50087898665064 40.078 > 6 12 Ca 0.43570268728888 0.87995814644009 0.50087898665064 40.078 > 6 13 Ca 0.84630154511595 0.45571841322815 0.28325988664331 40.078 > 7 14 Ca 0.84630154511595 0.95571841322815 0.28325988664331 40.078 > 7 15 Ca 0.56429731271112 0.37995814644009 0.99912101334936 40.078 > 8 16 Ca 0.56429731271112 0.87995814644009 0.99912101334936 40.078 > 8 17 Ca 0.15369845488406 0.45571841322815 0.21674011335669 40.078 > 9 18 Ca 0.15369845488406 0.95571841322815 0.21674011335669 40.078 > 9 19 Ca 0.15369845488406 0.04428158677185 0.71674011335669 40.078 > 10 20 Ca 0.15369845488406 0.54428158677185 0.71674011335669 40.078 > 10 21 Ca 0.93570268728888 0.37004185355991 0.00087898665064 40.078 > 1 22 Ca 0.93570268728888 0.87004185355991 0.00087898665064 40.078 > 1 23 Ca 0.00000000000000 0.18963225411319 0.25000000000000 40.078 > 2 24 Ca 0.00000000000000 0.68963225411319 0.25000000000000 40.078 > 2 25 Ca 0.34630154511595 0.29428158677185 0.78325988664331 40.078 > 3 26 Ca 0.34630154511595 0.79428158677185 0.78325988664331 40.078 > 3 27 Ca 0.00000000000000 0.31036774588681 0.75000000000000 40.078 > 4 28 Ca 0.00000000000000 0.81036774588681 0.75000000000000 40.078 > 4 29 Ca 0.06429731271112 0.37004185355991 0.49912101334936 40.078 > 5 30 Ca 0.06429731271112 0.87004185355991 0.49912101334936 40.078 > 5 31 Ca 0.93570268728888 0.12995814644009 0.50087898665064 40.078 > 6 32 Ca 0.93570268728888 0.62995814644009 0.50087898665064 40.078 > 6 33 Ca 0.34630154511595 0.20571841322815 0.28325988664331 40.078 > 7 34 Ca 0.34630154511595 0.70571841322815 0.28325988664331 40.078 > 7 35 Ca 0.06429731271112 0.12995814644009 0.99912101334936 40.078 > 8 36 Ca 0.06429731271112 0.62995814644009 0.99912101334936 40.078 > 8 37 Ca 0.65369845488405 0.20571841322815 0.21674011335669 40.078 > 9 38 Ca 0.65369845488405 0.70571841322815 0.21674011335669 40.078 > 9 39 Ca 0.65369845488405 0.29428158677185 0.71674011335669 40.078 > 10 40 Ca 0.65369845488405 0.79428158677185 0.71674011335669 40.078 > 10 *41 Si 0.77690065776436 0.06449261869153 0.07617084021571 28.085 > 11 42 Si 0.77690065776436 0.56449261869153 0.07617084021571 28.085 > 11 43 Si 0.77690065776436 0.43550738130847 0.57617084021571 28.085 > 12 44 Si 0.77690065776436 0.93550738130847 0.57617084021571 28.085 > 12 45 Si 0.22309934223565 0.06449261869153 0.42382915978429 28.085 > 13 46 Si 0.22309934223565 0.56449261869153 0.42382915978429 28.085 > 13 47 Si 0.22309934223565 0.43550738130847 0.92382915978429 28.085 > 14 48 Si 0.22309934223565 0.93550738130847 0.92382915978429 28.085 > 14 49 Si 0.27690065776436 0.31449261869153 0.07617084021571 28.085 > 11 50 Si 0.27690065776436 0.81449261869153 0.07617084021571 28.085 > 11 51 Si 0.27690065776436 0.18550738130847 0.57617084021571 28.085 > 12 52 Si 0.27690065776436 0.68550738130847 0.57617084021571 28.085 > 12 53 Si 0.72309934223564 0.31449261869153 0.42382915978429 28.085 > 13 54 Si 0.72309934223564 0.81449261869153 0.42382915978429 28.085 > 13 55 Si 0.72309934223564 0.18550738130847 0.92382915978429 28.085 > 14 56 Si 0.72309934223564 0.68550738130847 0.92382915978429 28.085 > 14 *57 N 0.34983719821175 0.02015418621958 0.35180953626194 14.007 > 15 58 N 0.34983719821175 0.52015418621958 0.35180953626194 14.007 > 15 *59 N 0.94324264301009 0.47917030411038 0.62775532691583 14.007 > 16 60 N 0.94324264301009 0.97917030411038 0.62775532691583 14.007 > 16 *61 N 0.27660610139891 0.03371295174891 0.56345468332907 14.007 > 17 62 N 0.27660610139891 0.53371295174891 0.56345468332907 14.007 > 17 63 N 0.94324264301009 0.02082969588962 0.12775532691583 14.007 > 18 64 N 0.94324264301009 0.52082969588962 0.12775532691583 14.007 > 18 65 N 0.65016280178825 0.47984581378042 0.64819046373806 14.007 > 19 66 N 0.65016280178825 0.97984581378042 0.64819046373806 14.007 > 19 67 N 0.72339389860110 0.46628704825109 0.43654531667093 14.007 > 20 68 N 0.72339389860110 0.96628704825109 0.43654531667093 14.007 > 20 69 N 0.05675735698991 0.47917030411038 0.87224467308417 14.007 > 21 70 N 0.05675735698991 0.97917030411038 0.87224467308417 14.007 > 21 71 N 0.34983719821175 0.47984581378042 0.85180953626194 14.007 > 22 72 N 0.34983719821175 0.97984581378042 0.85180953626194 14.007 > 22 73 N 0.72339389860110 0.03371295174891 0.93654531667093 14.007 > 23 74 N 0.72339389860110 0.53371295174891 0.93654531667093 14.007 > 23 75 N 0.05675735698991 0.02082969588962 0.37224467308417 14.007 > 24 76 N 0.05675735698991 0.52082969588962 0.37224467308417 14.007 > 24 77 N 0.27660610139891 0.46628704825109 0.06345468332907 14.007 > 25 78 N 0.27660610139891 0.96628704825109 0.06345468332907 14.007 > 25 79 N 0.65016280178825 0.02015418621958 0.14819046373806 14.007 > 26 80 N 0.65016280178825 0.52015418621958 0.14819046373806 14.007 > 26 81 N 0.84983719821175 0.27015418621958 0.35180953626194 14.007 > 15 82 N 0.84983719821175 0.77015418621958 0.35180953626194 14.007 > 15 83 N 0.44324264301009 0.22917030411038 0.62775532691583 14.007 > 16 84 N 0.44324264301009 0.72917030411038 0.62775532691583 14.007 > 16 85 N 0.77660610139890 0.28371295174891 0.56345468332907 14.007 > 17 86 N 0.77660610139890 0.78371295174891 0.56345468332907 14.007 > 17 87 N 0.44324264301009 0.27082969588962 0.12775532691583 14.007 > 18 88 N 0.44324264301009 0.77082969588962 0.12775532691583 14.007 > 18 89 N 0.15016280178825 0.22984581378042 0.64819046373806 14.007 > 19 90 N 0.15016280178825 0.72984581378042 0.64819046373806 14.007 > 19 91 N 0.22339389860109 0.21628704825109 0.43654531667093 14.007 > 20 92 N 0.22339389860109 0.71628704825109 0.43654531667093 14.007 > 20 93 N 0.55675735698991 0.22917030411038 0.87224467308417 14.007 > 21 94 N 0.55675735698991 0.72917030411038 0.87224467308417 14.007 > 21 95 N 0.84983719821175 0.22984581378042 0.85180953626194 14.007 > 22 96 N 0.84983719821175 0.72984581378042 0.85180953626194 14.007 > 22 97 N 0.22339389860109 0.28371295174891 0.93654531667093 14.007 > 23 98 N 0.22339389860109 0.78371295174891 0.93654531667093 14.007 > 23 99 N 0.55675735698991 0.27082969588962 0.37224467308417 14.007 > 24 100 N 0.55675735698991 0.77082969588962 0.37224467308417 14.007 > 24 101 N 0.77660610139890 0.21628704825109 0.06345468332907 14.007 > 25 102 N 0.77660610139890 0.71628704825109 0.06345468332907 14.007 > 25 103 N 0.15016280178825 0.27015418621958 0.14819046373806 14.007 > 26 104 N 0.15016280178825 0.77015418621958 0.14819046373806 14.007 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4838535 0.0000000 -0.0064674 0.0000000 5.2922547 0.0000000 -0.0064723 0.0000000 5.1873514 -------------------------- Born effective charges -------------------------- 1 Ca 2.5105434 0.0851416 -0.0565570 0.1153939 2.6477735 0.1892037 -0.0336957 0.2438606 2.0132556 2 Ca 2.3914722 -0.0000000 -0.1402892 0.0000000 2.1081278 0.0000000 -0.0127859 0.0000000 2.7389402 3 Ca 2.2539268 -0.3129497 0.1142087 -0.3636248 1.9775759 0.3617721 -0.0805195 0.2671315 2.5432891 4 Ca 2.3914722 -0.0000000 -0.1402892 0.0000000 2.1081278 0.0000000 -0.0127859 0.0000000 2.7389402 5 Ca 2.5105434 -0.0851416 -0.0565570 -0.1153939 2.6477735 -0.1892037 -0.0336957 -0.2438606 2.0132556 6 Ca 2.5105434 -0.0851416 -0.0565570 -0.1153939 2.6477735 -0.1892037 -0.0336957 -0.2438606 2.0132556 7 Ca 2.2539268 0.3129497 0.1142087 0.3636248 1.9775759 -0.3617721 -0.0805195 -0.2671315 2.5432891 8 Ca 2.5105434 0.0851416 -0.0565570 0.1153939 2.6477735 0.1892037 -0.0336957 0.2438606 2.0132556 9 Ca 2.2539268 -0.3129497 0.1142087 -0.3636248 1.9775759 0.3617721 -0.0805195 0.2671315 2.5432891 10 Ca 2.2539268 0.3129497 0.1142087 0.3636248 1.9775759 -0.3617721 -0.0805195 -0.2671315 2.5432891 11 Si 2.7749315 -0.0589385 -0.0167970 0.0129828 2.2129452 -0.6681666 -0.0931258 -0.7121396 2.5708373 12 Si 2.7749315 0.0589385 -0.0167970 -0.0129828 2.2129452 0.6681666 -0.0931258 0.7121396 2.5708373 13 Si 2.7749315 0.0589385 -0.0167970 -0.0129828 2.2129452 0.6681666 -0.0931258 0.7121396 2.5708373 14 Si 2.7749315 -0.0589385 -0.0167970 0.0129828 2.2129452 -0.6681666 -0.0931258 -0.7121396 2.5708373 15 N -3.0999817 0.4263645 0.4590657 0.3624735 -2.5147175 -0.2483616 0.4227129 -0.2580674 -2.7592295 16 N -3.3114982 -0.5328376 -0.4725823 -0.3271585 -2.3588859 -0.1652202 -0.3151316 -0.1794101 -2.7338692 17 N -2.3236579 0.0243100 0.0428066 0.0555091 -3.0187552 -0.0419394 0.1061527 -0.2189863 -3.0037534 18 N -3.3114982 0.5328376 -0.4725823 0.3271585 -2.3588859 0.1652202 -0.3151316 0.1794101 -2.7338692 19 N -3.0999817 0.4263645 0.4590657 0.3624735 -2.5147175 -0.2483616 0.4227129 -0.2580674 -2.7592295 20 N -2.3236579 0.0243100 0.0428066 0.0555091 -3.0187552 -0.0419394 0.1061527 -0.2189863 -3.0037534 21 N -3.3114982 0.5328376 -0.4725823 0.3271585 -2.3588859 0.1652202 -0.3151316 0.1794101 -2.7338692 22 N -3.0999817 -0.4263645 0.4590657 -0.3624735 -2.5147175 0.2483616 0.4227129 0.2580674 -2.7592295 23 N -2.3236579 -0.0243100 0.0428066 -0.0555091 -3.0187552 0.0419394 0.1061527 0.2189863 -3.0037534 24 N -3.3114982 -0.5328376 -0.4725823 -0.3271585 -2.3588859 -0.1652202 -0.3151316 -0.1794101 -2.7338692 25 N -2.3236579 -0.0243100 0.0428066 -0.0555091 -3.0187552 0.0419394 0.1061527 0.2189863 -3.0037534 26 N -3.0999817 -0.4263645 0.4590657 -0.3624735 -2.5147175 0.2483616 0.4227129 0.2580674 -2.7592295 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 14586/14586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 172 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 8), data: (680, 21) @ (21, 8) |-- (180, 172), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.996 Solver_block: 200 / 800 - Time: 0.805 Solver_block: 300 / 800 - Time: 0.817 Solver_block: 400 / 800 - Time: 0.805 Solver_block: 500 / 800 - Time: 0.799 Solver_block: 600 / 800 - Time: 0.805 Solver_block: 700 / 800 - Time: 0.816 Solver_block: 800 / 800 - Time: 0.810 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.780 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 14586/14586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 172 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 8), data: (680, 21) @ (21, 8) |-- (180, 172), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:21:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:21:28]------------------------- 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 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872141085222998 -3.000723734999999 0.000000000000000 b 4.872141085222998 3.000723734999999 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): 1 Ca 0.19561898016907 0.67578639440869 0.00087898665064 40.078 2 Ca 0.62073549177362 0.37926450822638 0.25000000000000 40.078 3 Ca 0.75773837157224 0.93486471865965 0.78325988664331 40.078 4 Ca 0.37926450822638 0.62073549177362 0.75000000000000 40.078 5 Ca 0.32421360559131 0.80438101983093 0.49912101334936 40.078 6 Ca 0.67578639440869 0.19561898016907 0.50087898665064 40.078 7 Ca 0.93486471865965 0.75773837157224 0.28325988664331 40.078 8 Ca 0.80438101983093 0.32421360559131 0.99912101334936 40.078 9 Ca 0.24226162842776 0.06513528134035 0.21674011335669 40.078 10 Ca 0.06513528134035 0.24226162842776 0.71674011335669 40.078 11 Si 0.64791542038129 0.90588589514742 0.07617084021571 28.085 12 Si 0.90588589514742 0.64791542038129 0.57617084021571 28.085 13 Si 0.09411410485258 0.35208457961871 0.42382915978429 28.085 14 Si 0.35208457961871 0.09411410485258 0.92382915978429 28.085 15 N 0.30952882577259 0.39014557065092 0.35180953626194 14.007 16 N 0.98490203478933 0.90158325123085 0.62775532691583 14.007 17 N 0.20918019790108 0.34403200489673 0.56345468332907 14.007 18 N 0.90158325123085 0.98490203478933 0.12775532691583 14.007 19 N 0.69047117422741 0.60985442934909 0.64819046373806 14.007 20 N 0.79081980209892 0.65596799510327 0.43654531667093 14.007 21 N 0.09841674876915 0.01509796521067 0.87224467308417 14.007 22 N 0.39014557065091 0.30952882577259 0.85180953626194 14.007 23 N 0.65596799510327 0.79081980209892 0.93654531667093 14.007 24 N 0.01509796521067 0.09841674876915 0.37224467308417 14.007 25 N 0.34403200489673 0.20918019790108 0.06345468332907 14.007 26 N 0.60985442934909 0.69047117422741 0.14819046373806 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.744282170445997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.002894939999997 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): 1 Ca 0.43570268728888 0.12004185355991 0.00087898665064 40.078 > 1 2 Ca 0.43570268728888 0.62004185355991 0.00087898665064 40.078 > 1 3 Ca 0.50000000000000 0.43963225411319 0.25000000000000 40.078 > 3 4 Ca 0.50000000000000 0.93963225411319 0.25000000000000 40.078 > 3 5 Ca 0.84630154511595 0.04428158677185 0.78325988664331 40.078 > 5 6 Ca 0.84630154511595 0.54428158677185 0.78325988664331 40.078 > 5 7 Ca 0.50000000000000 0.06036774588681 0.75000000000000 40.078 > 7 8 Ca 0.50000000000000 0.56036774588681 0.75000000000000 40.078 > 7 9 Ca 0.56429731271112 0.12004185355991 0.49912101334936 40.078 > 9 10 Ca 0.56429731271112 0.62004185355991 0.49912101334936 40.078 > 9 11 Ca 0.43570268728888 0.37995814644009 0.50087898665064 40.078 > 11 12 Ca 0.43570268728888 0.87995814644009 0.50087898665064 40.078 > 11 13 Ca 0.84630154511595 0.45571841322815 0.28325988664331 40.078 > 13 14 Ca 0.84630154511595 0.95571841322815 0.28325988664331 40.078 > 13 15 Ca 0.56429731271112 0.37995814644009 0.99912101334936 40.078 > 15 16 Ca 0.56429731271112 0.87995814644009 0.99912101334936 40.078 > 15 17 Ca 0.15369845488406 0.45571841322815 0.21674011335669 40.078 > 17 18 Ca 0.15369845488406 0.95571841322815 0.21674011335669 40.078 > 17 19 Ca 0.15369845488406 0.04428158677185 0.71674011335669 40.078 > 19 20 Ca 0.15369845488406 0.54428158677185 0.71674011335669 40.078 > 19 21 Ca 0.93570268728888 0.37004185355991 0.00087898665064 40.078 > 1 22 Ca 0.93570268728888 0.87004185355991 0.00087898665064 40.078 > 1 23 Ca 0.00000000000000 0.18963225411319 0.25000000000000 40.078 > 3 24 Ca 0.00000000000000 0.68963225411319 0.25000000000000 40.078 > 3 25 Ca 0.34630154511595 0.29428158677185 0.78325988664331 40.078 > 5 26 Ca 0.34630154511595 0.79428158677185 0.78325988664331 40.078 > 5 27 Ca 0.00000000000000 0.31036774588681 0.75000000000000 40.078 > 7 28 Ca 0.00000000000000 0.81036774588681 0.75000000000000 40.078 > 7 29 Ca 0.06429731271112 0.37004185355991 0.49912101334936 40.078 > 9 30 Ca 0.06429731271112 0.87004185355991 0.49912101334936 40.078 > 9 31 Ca 0.93570268728888 0.12995814644009 0.50087898665064 40.078 > 11 32 Ca 0.93570268728888 0.62995814644009 0.50087898665064 40.078 > 11 33 Ca 0.34630154511595 0.20571841322815 0.28325988664331 40.078 > 13 34 Ca 0.34630154511595 0.70571841322815 0.28325988664331 40.078 > 13 35 Ca 0.06429731271112 0.12995814644009 0.99912101334936 40.078 > 15 36 Ca 0.06429731271112 0.62995814644009 0.99912101334936 40.078 > 15 37 Ca 0.65369845488405 0.20571841322815 0.21674011335669 40.078 > 17 38 Ca 0.65369845488405 0.70571841322815 0.21674011335669 40.078 > 17 39 Ca 0.65369845488405 0.29428158677185 0.71674011335669 40.078 > 19 40 Ca 0.65369845488405 0.79428158677185 0.71674011335669 40.078 > 19 41 Si 0.77690065776436 0.06449261869153 0.07617084021571 28.085 > 41 42 Si 0.77690065776436 0.56449261869153 0.07617084021571 28.085 > 41 43 Si 0.77690065776436 0.43550738130847 0.57617084021571 28.085 > 43 44 Si 0.77690065776436 0.93550738130847 0.57617084021571 28.085 > 43 45 Si 0.22309934223565 0.06449261869153 0.42382915978429 28.085 > 45 46 Si 0.22309934223565 0.56449261869153 0.42382915978429 28.085 > 45 47 Si 0.22309934223565 0.43550738130847 0.92382915978429 28.085 > 47 48 Si 0.22309934223565 0.93550738130847 0.92382915978429 28.085 > 47 49 Si 0.27690065776436 0.31449261869153 0.07617084021571 28.085 > 41 50 Si 0.27690065776436 0.81449261869153 0.07617084021571 28.085 > 41 51 Si 0.27690065776436 0.18550738130847 0.57617084021571 28.085 > 43 52 Si 0.27690065776436 0.68550738130847 0.57617084021571 28.085 > 43 53 Si 0.72309934223564 0.31449261869153 0.42382915978429 28.085 > 45 54 Si 0.72309934223564 0.81449261869153 0.42382915978429 28.085 > 45 55 Si 0.72309934223564 0.18550738130847 0.92382915978429 28.085 > 47 56 Si 0.72309934223564 0.68550738130847 0.92382915978429 28.085 > 47 57 N 0.34983719821175 0.02015418621958 0.35180953626194 14.007 > 57 58 N 0.34983719821175 0.52015418621958 0.35180953626194 14.007 > 57 59 N 0.94324264301009 0.47917030411038 0.62775532691583 14.007 > 59 60 N 0.94324264301009 0.97917030411038 0.62775532691583 14.007 > 59 61 N 0.27660610139891 0.03371295174891 0.56345468332907 14.007 > 61 62 N 0.27660610139891 0.53371295174891 0.56345468332907 14.007 > 61 63 N 0.94324264301009 0.02082969588962 0.12775532691583 14.007 > 63 64 N 0.94324264301009 0.52082969588962 0.12775532691583 14.007 > 63 65 N 0.65016280178825 0.47984581378042 0.64819046373806 14.007 > 65 66 N 0.65016280178825 0.97984581378042 0.64819046373806 14.007 > 65 67 N 0.72339389860110 0.46628704825109 0.43654531667093 14.007 > 67 68 N 0.72339389860110 0.96628704825109 0.43654531667093 14.007 > 67 69 N 0.05675735698991 0.47917030411038 0.87224467308417 14.007 > 69 70 N 0.05675735698991 0.97917030411038 0.87224467308417 14.007 > 69 71 N 0.34983719821175 0.47984581378042 0.85180953626194 14.007 > 71 72 N 0.34983719821175 0.97984581378042 0.85180953626194 14.007 > 71 73 N 0.72339389860110 0.03371295174891 0.93654531667093 14.007 > 73 74 N 0.72339389860110 0.53371295174891 0.93654531667093 14.007 > 73 75 N 0.05675735698991 0.02082969588962 0.37224467308417 14.007 > 75 76 N 0.05675735698991 0.52082969588962 0.37224467308417 14.007 > 75 77 N 0.27660610139891 0.46628704825109 0.06345468332907 14.007 > 77 78 N 0.27660610139891 0.96628704825109 0.06345468332907 14.007 > 77 79 N 0.65016280178825 0.02015418621958 0.14819046373806 14.007 > 79 80 N 0.65016280178825 0.52015418621958 0.14819046373806 14.007 > 79 81 N 0.84983719821175 0.27015418621958 0.35180953626194 14.007 > 57 82 N 0.84983719821175 0.77015418621958 0.35180953626194 14.007 > 57 83 N 0.44324264301009 0.22917030411038 0.62775532691583 14.007 > 59 84 N 0.44324264301009 0.72917030411038 0.62775532691583 14.007 > 59 85 N 0.77660610139890 0.28371295174891 0.56345468332907 14.007 > 61 86 N 0.77660610139890 0.78371295174891 0.56345468332907 14.007 > 61 87 N 0.44324264301009 0.27082969588962 0.12775532691583 14.007 > 63 88 N 0.44324264301009 0.77082969588962 0.12775532691583 14.007 > 63 89 N 0.15016280178825 0.22984581378042 0.64819046373806 14.007 > 65 90 N 0.15016280178825 0.72984581378042 0.64819046373806 14.007 > 65 91 N 0.22339389860109 0.21628704825109 0.43654531667093 14.007 > 67 92 N 0.22339389860109 0.71628704825109 0.43654531667093 14.007 > 67 93 N 0.55675735698991 0.22917030411038 0.87224467308417 14.007 > 69 94 N 0.55675735698991 0.72917030411038 0.87224467308417 14.007 > 69 95 N 0.84983719821175 0.22984581378042 0.85180953626194 14.007 > 71 96 N 0.84983719821175 0.72984581378042 0.85180953626194 14.007 > 71 97 N 0.22339389860109 0.28371295174891 0.93654531667093 14.007 > 73 98 N 0.22339389860109 0.78371295174891 0.93654531667093 14.007 > 73 99 N 0.55675735698991 0.27082969588962 0.37224467308417 14.007 > 75 100 N 0.55675735698991 0.77082969588962 0.37224467308417 14.007 > 75 101 N 0.77660610139890 0.21628704825109 0.06345468332907 14.007 > 77 102 N 0.77660610139890 0.71628704825109 0.06345468332907 14.007 > 77 103 N 0.15016280178825 0.27015418621958 0.14819046373806 14.007 > 79 104 N 0.15016280178825 0.77015418621958 0.14819046373806 14.007 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4838535 0.0000000 -0.0064674 0.0000000 5.2922547 0.0000000 -0.0064723 0.0000000 5.1873514 -------------------------- Born effective charges -------------------------- 1 Ca 2.5105434 0.0851416 -0.0565570 0.1153939 2.6477735 0.1892037 -0.0336957 0.2438606 2.0132556 2 Ca 2.3914722 -0.0000000 -0.1402892 0.0000000 2.1081278 0.0000000 -0.0127859 0.0000000 2.7389402 3 Ca 2.2539268 -0.3129497 0.1142087 -0.3636248 1.9775759 0.3617721 -0.0805195 0.2671315 2.5432891 4 Ca 2.3914722 -0.0000000 -0.1402892 0.0000000 2.1081278 0.0000000 -0.0127859 0.0000000 2.7389402 5 Ca 2.5105434 -0.0851416 -0.0565570 -0.1153939 2.6477735 -0.1892037 -0.0336957 -0.2438606 2.0132556 6 Ca 2.5105434 -0.0851416 -0.0565570 -0.1153939 2.6477735 -0.1892037 -0.0336957 -0.2438606 2.0132556 7 Ca 2.2539268 0.3129497 0.1142087 0.3636248 1.9775759 -0.3617721 -0.0805195 -0.2671315 2.5432891 8 Ca 2.5105434 0.0851416 -0.0565570 0.1153939 2.6477735 0.1892037 -0.0336957 0.2438606 2.0132556 9 Ca 2.2539268 -0.3129497 0.1142087 -0.3636248 1.9775759 0.3617721 -0.0805195 0.2671315 2.5432891 10 Ca 2.2539268 0.3129497 0.1142087 0.3636248 1.9775759 -0.3617721 -0.0805195 -0.2671315 2.5432891 11 Si 2.7749315 -0.0589385 -0.0167970 0.0129828 2.2129452 -0.6681666 -0.0931258 -0.7121396 2.5708373 12 Si 2.7749315 0.0589385 -0.0167970 -0.0129828 2.2129452 0.6681666 -0.0931258 0.7121396 2.5708373 13 Si 2.7749315 0.0589385 -0.0167970 -0.0129828 2.2129452 0.6681666 -0.0931258 0.7121396 2.5708373 14 Si 2.7749315 -0.0589385 -0.0167970 0.0129828 2.2129452 -0.6681666 -0.0931258 -0.7121396 2.5708373 15 N -3.0999817 0.4263645 0.4590657 0.3624735 -2.5147175 -0.2483616 0.4227129 -0.2580674 -2.7592295 16 N -3.3114982 -0.5328376 -0.4725823 -0.3271585 -2.3588859 -0.1652202 -0.3151316 -0.1794101 -2.7338692 17 N -2.3236579 0.0243100 0.0428066 0.0555091 -3.0187552 -0.0419394 0.1061527 -0.2189863 -3.0037534 18 N -3.3114982 0.5328376 -0.4725823 0.3271585 -2.3588859 0.1652202 -0.3151316 0.1794101 -2.7338692 19 N -3.0999817 0.4263645 0.4590657 0.3624735 -2.5147175 -0.2483616 0.4227129 -0.2580674 -2.7592295 20 N -2.3236579 0.0243100 0.0428066 0.0555091 -3.0187552 -0.0419394 0.1061527 -0.2189863 -3.0037534 21 N -3.3114982 0.5328376 -0.4725823 0.3271585 -2.3588859 0.1652202 -0.3151316 0.1794101 -2.7338692 22 N -3.0999817 -0.4263645 0.4590657 -0.3624735 -2.5147175 0.2483616 0.4227129 0.2580674 -2.7592295 23 N -2.3236579 -0.0243100 0.0428066 -0.0555091 -3.0187552 0.0419394 0.1061527 0.2189863 -3.0037534 24 N -3.3114982 -0.5328376 -0.4725823 -0.3271585 -2.3588859 -0.1652202 -0.3151316 -0.1794101 -2.7338692 25 N -2.3236579 -0.0243100 0.0428066 -0.0555091 -3.0187552 0.0419394 0.1061527 0.2189863 -3.0037534 26 N -3.0999817 -0.4263645 0.4590657 -0.3624735 -2.5147175 0.2483616 0.4227129 0.2580674 -2.7592295 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 19:21:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:21:57]------------------------- 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 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872141085222998 -3.000723734999999 0.000000000000000 b 4.872141085222998 3.000723734999999 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): 1 Ca 0.19561898016907 0.67578639440869 0.00087898665064 40.078 2 Ca 0.62073549177362 0.37926450822638 0.25000000000000 40.078 3 Ca 0.75773837157224 0.93486471865965 0.78325988664331 40.078 4 Ca 0.37926450822638 0.62073549177362 0.75000000000000 40.078 5 Ca 0.32421360559131 0.80438101983093 0.49912101334936 40.078 6 Ca 0.67578639440869 0.19561898016907 0.50087898665064 40.078 7 Ca 0.93486471865965 0.75773837157224 0.28325988664331 40.078 8 Ca 0.80438101983093 0.32421360559131 0.99912101334936 40.078 9 Ca 0.24226162842776 0.06513528134035 0.21674011335669 40.078 10 Ca 0.06513528134035 0.24226162842776 0.71674011335669 40.078 11 Si 0.64791542038129 0.90588589514742 0.07617084021571 28.085 12 Si 0.90588589514742 0.64791542038129 0.57617084021571 28.085 13 Si 0.09411410485258 0.35208457961871 0.42382915978429 28.085 14 Si 0.35208457961871 0.09411410485258 0.92382915978429 28.085 15 N 0.30952882577259 0.39014557065092 0.35180953626194 14.007 16 N 0.98490203478933 0.90158325123085 0.62775532691583 14.007 17 N 0.20918019790108 0.34403200489673 0.56345468332907 14.007 18 N 0.90158325123085 0.98490203478933 0.12775532691583 14.007 19 N 0.69047117422741 0.60985442934909 0.64819046373806 14.007 20 N 0.79081980209892 0.65596799510327 0.43654531667093 14.007 21 N 0.09841674876915 0.01509796521067 0.87224467308417 14.007 22 N 0.39014557065091 0.30952882577259 0.85180953626194 14.007 23 N 0.65596799510327 0.79081980209892 0.93654531667093 14.007 24 N 0.01509796521067 0.09841674876915 0.37224467308417 14.007 25 N 0.34403200489673 0.20918019790108 0.06345468332907 14.007 26 N 0.60985442934909 0.69047117422741 0.14819046373806 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.744282170445997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.002894939999997 0.000000000000000 c -2.268307740383468 0.000000000000000 12.426262278166568 Atomic positions (fractional): 1 Ca 0.43570268728888 0.12004185355991 0.00087898665064 40.078 > 1 2 Ca 0.43570268728888 0.62004185355991 0.00087898665064 40.078 > 1 3 Ca 0.50000000000000 0.43963225411319 0.25000000000000 40.078 > 3 4 Ca 0.50000000000000 0.93963225411319 0.25000000000000 40.078 > 3 5 Ca 0.84630154511595 0.04428158677185 0.78325988664331 40.078 > 5 6 Ca 0.84630154511595 0.54428158677185 0.78325988664331 40.078 > 5 7 Ca 0.50000000000000 0.06036774588681 0.75000000000000 40.078 > 7 8 Ca 0.50000000000000 0.56036774588681 0.75000000000000 40.078 > 7 9 Ca 0.56429731271112 0.12004185355991 0.49912101334936 40.078 > 9 10 Ca 0.56429731271112 0.62004185355991 0.49912101334936 40.078 > 9 11 Ca 0.43570268728888 0.37995814644009 0.50087898665064 40.078 > 11 12 Ca 0.43570268728888 0.87995814644009 0.50087898665064 40.078 > 11 13 Ca 0.84630154511595 0.45571841322815 0.28325988664331 40.078 > 13 14 Ca 0.84630154511595 0.95571841322815 0.28325988664331 40.078 > 13 15 Ca 0.56429731271112 0.37995814644009 0.99912101334936 40.078 > 15 16 Ca 0.56429731271112 0.87995814644009 0.99912101334936 40.078 > 15 17 Ca 0.15369845488406 0.45571841322815 0.21674011335669 40.078 > 17 18 Ca 0.15369845488406 0.95571841322815 0.21674011335669 40.078 > 17 19 Ca 0.15369845488406 0.04428158677185 0.71674011335669 40.078 > 19 20 Ca 0.15369845488406 0.54428158677185 0.71674011335669 40.078 > 19 21 Ca 0.93570268728888 0.37004185355991 0.00087898665064 40.078 > 1 22 Ca 0.93570268728888 0.87004185355991 0.00087898665064 40.078 > 1 23 Ca 0.00000000000000 0.18963225411319 0.25000000000000 40.078 > 3 24 Ca 0.00000000000000 0.68963225411319 0.25000000000000 40.078 > 3 25 Ca 0.34630154511595 0.29428158677185 0.78325988664331 40.078 > 5 26 Ca 0.34630154511595 0.79428158677185 0.78325988664331 40.078 > 5 27 Ca 0.00000000000000 0.31036774588681 0.75000000000000 40.078 > 7 28 Ca 0.00000000000000 0.81036774588681 0.75000000000000 40.078 > 7 29 Ca 0.06429731271112 0.37004185355991 0.49912101334936 40.078 > 9 30 Ca 0.06429731271112 0.87004185355991 0.49912101334936 40.078 > 9 31 Ca 0.93570268728888 0.12995814644009 0.50087898665064 40.078 > 11 32 Ca 0.93570268728888 0.62995814644009 0.50087898665064 40.078 > 11 33 Ca 0.34630154511595 0.20571841322815 0.28325988664331 40.078 > 13 34 Ca 0.34630154511595 0.70571841322815 0.28325988664331 40.078 > 13 35 Ca 0.06429731271112 0.12995814644009 0.99912101334936 40.078 > 15 36 Ca 0.06429731271112 0.62995814644009 0.99912101334936 40.078 > 15 37 Ca 0.65369845488405 0.20571841322815 0.21674011335669 40.078 > 17 38 Ca 0.65369845488405 0.70571841322815 0.21674011335669 40.078 > 17 39 Ca 0.65369845488405 0.29428158677185 0.71674011335669 40.078 > 19 40 Ca 0.65369845488405 0.79428158677185 0.71674011335669 40.078 > 19 41 Si 0.77690065776436 0.06449261869153 0.07617084021571 28.085 > 41 42 Si 0.77690065776436 0.56449261869153 0.07617084021571 28.085 > 41 43 Si 0.77690065776436 0.43550738130847 0.57617084021571 28.085 > 43 44 Si 0.77690065776436 0.93550738130847 0.57617084021571 28.085 > 43 45 Si 0.22309934223565 0.06449261869153 0.42382915978429 28.085 > 45 46 Si 0.22309934223565 0.56449261869153 0.42382915978429 28.085 > 45 47 Si 0.22309934223565 0.43550738130847 0.92382915978429 28.085 > 47 48 Si 0.22309934223565 0.93550738130847 0.92382915978429 28.085 > 47 49 Si 0.27690065776436 0.31449261869153 0.07617084021571 28.085 > 41 50 Si 0.27690065776436 0.81449261869153 0.07617084021571 28.085 > 41 51 Si 0.27690065776436 0.18550738130847 0.57617084021571 28.085 > 43 52 Si 0.27690065776436 0.68550738130847 0.57617084021571 28.085 > 43 53 Si 0.72309934223564 0.31449261869153 0.42382915978429 28.085 > 45 54 Si 0.72309934223564 0.81449261869153 0.42382915978429 28.085 > 45 55 Si 0.72309934223564 0.18550738130847 0.92382915978429 28.085 > 47 56 Si 0.72309934223564 0.68550738130847 0.92382915978429 28.085 > 47 57 N 0.34983719821175 0.02015418621958 0.35180953626194 14.007 > 57 58 N 0.34983719821175 0.52015418621958 0.35180953626194 14.007 > 57 59 N 0.94324264301009 0.47917030411038 0.62775532691583 14.007 > 59 60 N 0.94324264301009 0.97917030411038 0.62775532691583 14.007 > 59 61 N 0.27660610139891 0.03371295174891 0.56345468332907 14.007 > 61 62 N 0.27660610139891 0.53371295174891 0.56345468332907 14.007 > 61 63 N 0.94324264301009 0.02082969588962 0.12775532691583 14.007 > 63 64 N 0.94324264301009 0.52082969588962 0.12775532691583 14.007 > 63 65 N 0.65016280178825 0.47984581378042 0.64819046373806 14.007 > 65 66 N 0.65016280178825 0.97984581378042 0.64819046373806 14.007 > 65 67 N 0.72339389860110 0.46628704825109 0.43654531667093 14.007 > 67 68 N 0.72339389860110 0.96628704825109 0.43654531667093 14.007 > 67 69 N 0.05675735698991 0.47917030411038 0.87224467308417 14.007 > 69 70 N 0.05675735698991 0.97917030411038 0.87224467308417 14.007 > 69 71 N 0.34983719821175 0.47984581378042 0.85180953626194 14.007 > 71 72 N 0.34983719821175 0.97984581378042 0.85180953626194 14.007 > 71 73 N 0.72339389860110 0.03371295174891 0.93654531667093 14.007 > 73 74 N 0.72339389860110 0.53371295174891 0.93654531667093 14.007 > 73 75 N 0.05675735698991 0.02082969588962 0.37224467308417 14.007 > 75 76 N 0.05675735698991 0.52082969588962 0.37224467308417 14.007 > 75 77 N 0.27660610139891 0.46628704825109 0.06345468332907 14.007 > 77 78 N 0.27660610139891 0.96628704825109 0.06345468332907 14.007 > 77 79 N 0.65016280178825 0.02015418621958 0.14819046373806 14.007 > 79 80 N 0.65016280178825 0.52015418621958 0.14819046373806 14.007 > 79 81 N 0.84983719821175 0.27015418621958 0.35180953626194 14.007 > 57 82 N 0.84983719821175 0.77015418621958 0.35180953626194 14.007 > 57 83 N 0.44324264301009 0.22917030411038 0.62775532691583 14.007 > 59 84 N 0.44324264301009 0.72917030411038 0.62775532691583 14.007 > 59 85 N 0.77660610139890 0.28371295174891 0.56345468332907 14.007 > 61 86 N 0.77660610139890 0.78371295174891 0.56345468332907 14.007 > 61 87 N 0.44324264301009 0.27082969588962 0.12775532691583 14.007 > 63 88 N 0.44324264301009 0.77082969588962 0.12775532691583 14.007 > 63 89 N 0.15016280178825 0.22984581378042 0.64819046373806 14.007 > 65 90 N 0.15016280178825 0.72984581378042 0.64819046373806 14.007 > 65 91 N 0.22339389860109 0.21628704825109 0.43654531667093 14.007 > 67 92 N 0.22339389860109 0.71628704825109 0.43654531667093 14.007 > 67 93 N 0.55675735698991 0.22917030411038 0.87224467308417 14.007 > 69 94 N 0.55675735698991 0.72917030411038 0.87224467308417 14.007 > 69 95 N 0.84983719821175 0.22984581378042 0.85180953626194 14.007 > 71 96 N 0.84983719821175 0.72984581378042 0.85180953626194 14.007 > 71 97 N 0.22339389860109 0.28371295174891 0.93654531667093 14.007 > 73 98 N 0.22339389860109 0.78371295174891 0.93654531667093 14.007 > 73 99 N 0.55675735698991 0.27082969588962 0.37224467308417 14.007 > 75 100 N 0.55675735698991 0.77082969588962 0.37224467308417 14.007 > 75 101 N 0.77660610139890 0.21628704825109 0.06345468332907 14.007 > 77 102 N 0.77660610139890 0.71628704825109 0.06345468332907 14.007 > 77 103 N 0.15016280178825 0.27015418621958 0.14819046373806 14.007 > 79 104 N 0.15016280178825 0.77015418621958 0.14819046373806 14.007 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4838535 0.0000000 -0.0064674 0.0000000 5.2922547 0.0000000 -0.0064723 0.0000000 5.1873514 -------------------------- Born effective charges -------------------------- 1 Ca 2.5105434 0.0851416 -0.0565570 0.1153939 2.6477735 0.1892037 -0.0336957 0.2438606 2.0132556 2 Ca 2.3914722 -0.0000000 -0.1402892 0.0000000 2.1081278 0.0000000 -0.0127859 0.0000000 2.7389402 3 Ca 2.2539268 -0.3129497 0.1142087 -0.3636248 1.9775759 0.3617721 -0.0805195 0.2671315 2.5432891 4 Ca 2.3914722 -0.0000000 -0.1402892 0.0000000 2.1081278 0.0000000 -0.0127859 0.0000000 2.7389402 5 Ca 2.5105434 -0.0851416 -0.0565570 -0.1153939 2.6477735 -0.1892037 -0.0336957 -0.2438606 2.0132556 6 Ca 2.5105434 -0.0851416 -0.0565570 -0.1153939 2.6477735 -0.1892037 -0.0336957 -0.2438606 2.0132556 7 Ca 2.2539268 0.3129497 0.1142087 0.3636248 1.9775759 -0.3617721 -0.0805195 -0.2671315 2.5432891 8 Ca 2.5105434 0.0851416 -0.0565570 0.1153939 2.6477735 0.1892037 -0.0336957 0.2438606 2.0132556 9 Ca 2.2539268 -0.3129497 0.1142087 -0.3636248 1.9775759 0.3617721 -0.0805195 0.2671315 2.5432891 10 Ca 2.2539268 0.3129497 0.1142087 0.3636248 1.9775759 -0.3617721 -0.0805195 -0.2671315 2.5432891 11 Si 2.7749315 -0.0589385 -0.0167970 0.0129828 2.2129452 -0.6681666 -0.0931258 -0.7121396 2.5708373 12 Si 2.7749315 0.0589385 -0.0167970 -0.0129828 2.2129452 0.6681666 -0.0931258 0.7121396 2.5708373 13 Si 2.7749315 0.0589385 -0.0167970 -0.0129828 2.2129452 0.6681666 -0.0931258 0.7121396 2.5708373 14 Si 2.7749315 -0.0589385 -0.0167970 0.0129828 2.2129452 -0.6681666 -0.0931258 -0.7121396 2.5708373 15 N -3.0999817 0.4263645 0.4590657 0.3624735 -2.5147175 -0.2483616 0.4227129 -0.2580674 -2.7592295 16 N -3.3114982 -0.5328376 -0.4725823 -0.3271585 -2.3588859 -0.1652202 -0.3151316 -0.1794101 -2.7338692 17 N -2.3236579 0.0243100 0.0428066 0.0555091 -3.0187552 -0.0419394 0.1061527 -0.2189863 -3.0037534 18 N -3.3114982 0.5328376 -0.4725823 0.3271585 -2.3588859 0.1652202 -0.3151316 0.1794101 -2.7338692 19 N -3.0999817 0.4263645 0.4590657 0.3624735 -2.5147175 -0.2483616 0.4227129 -0.2580674 -2.7592295 20 N -2.3236579 0.0243100 0.0428066 0.0555091 -3.0187552 -0.0419394 0.1061527 -0.2189863 -3.0037534 21 N -3.3114982 0.5328376 -0.4725823 0.3271585 -2.3588859 0.1652202 -0.3151316 0.1794101 -2.7338692 22 N -3.0999817 -0.4263645 0.4590657 -0.3624735 -2.5147175 0.2483616 0.4227129 0.2580674 -2.7592295 23 N -2.3236579 -0.0243100 0.0428066 -0.0555091 -3.0187552 0.0419394 0.1061527 0.2189863 -3.0037534 24 N -3.3114982 -0.5328376 -0.4725823 -0.3271585 -2.3588859 -0.1652202 -0.3151316 -0.1794101 -2.7338692 25 N -2.3236579 -0.0243100 0.0428066 -0.0555091 -3.0187552 0.0419394 0.1061527 0.2189863 -3.0037534 26 N -3.0999817 -0.4263645 0.4590657 -0.3624735 -2.5147175 0.2483616 0.4227129 0.2580674 -2.7592295 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 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 2.092 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.622 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 13.146 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 13.214 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 14.528 ( 0.000 0.000 0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 17.034 ( 0.000 0.000 0.000) 0.000 17.957 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 19.066 ( 0.000 0.000 0.000) 0.000 19.198 ( 0.000 0.000 0.000) 0.000 21.469 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 22.283 ( 0.000 0.000 0.000) 0.000 22.585 ( 0.000 0.000 0.000) 0.000 23.233 ( 0.000 0.000 0.000) 0.000 24.218 ( 0.000 0.000 0.000) 0.000 24.239 ( 0.000 0.000 0.000) 0.000 24.841 ( 0.000 0.000 0.000) 0.000 25.326 ( 0.000 0.000 0.000) 0.000 26.063 ( 0.000 0.000 0.000) 0.000 26.183 ( 0.000 0.000 0.000) 0.000 26.273 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 10.572 -29.894 -19.574) 37.263 0.827 ( 17.563 -35.394 18.214) 43.508 1.373 ( 49.724 -43.603 1.432) 66.149 1.943 ( 18.530 34.522 9.616) 40.344 2.104 ( -5.450 -0.728 -8.062) 9.758 2.721 ( 10.476 -7.870 -2.549) 13.348 3.089 ( 5.963 7.333 16.929) 19.389 3.116 ( 8.486 4.522 -5.094) 10.882 3.480 ( 28.386 9.088 15.092) 33.408 3.626 ( -2.885 -17.456 11.547) 21.127 3.731 ( 11.034 -0.888 -8.185) 13.767 4.408 ( 8.645 -5.705 -2.217) 10.592 4.794 ( 3.416 -5.510 -7.634) 10.016 4.885 ( -3.695 -2.649 15.909) 16.546 4.955 ( -3.252 4.350 -0.092) 5.432 5.060 ( 5.716 2.165 0.349) 6.122 5.572 ( -5.068 -18.854 1.343) 19.570 5.817 ( 4.353 11.004 -7.258) 13.882 5.874 ( -4.107 4.877 -4.888) 8.035 6.032 ( 5.428 -2.794 -1.089) 6.201 6.197 ( -2.453 3.028 6.568) 7.637 6.520 ( -6.581 -2.430 2.239) 7.364 6.728 ( 7.559 4.380 -0.259) 8.740 6.803 ( 9.577 2.238 -5.408) 11.224 7.090 ( 2.430 -1.053 -4.019) 4.813 7.262 ( -3.608 -6.470 -5.619) 9.298 7.478 ( -6.226 0.593 -9.708) 11.548 7.718 ( -3.370 6.953 -0.256) 7.731 7.757 ( 2.430 4.235 17.641) 18.305 7.834 ( -1.298 -4.153 3.051) 5.314 8.146 ( -6.359 12.834 -4.602) 15.044 8.270 ( 3.797 6.372 3.568) 8.231 8.392 ( -20.378 -2.532 0.061) 20.535 8.556 ( -3.763 5.063 4.079) 7.512 8.622 ( 3.894 5.987 0.702) 7.176 8.893 ( -5.077 -8.610 -4.243) 10.859 8.974 ( -3.638 4.901 0.379) 6.115 9.121 ( 2.079 10.608 4.675) 11.778 9.233 ( 3.905 2.822 4.460) 6.565 9.639 ( 18.137 6.829 -4.101) 19.809 9.700 ( -4.520 -8.221 2.708) 9.764 9.818 ( 0.518 -5.215 0.434) 5.259 10.248 ( -2.025 1.221 -4.388) 4.985 11.008 ( -9.927 5.711 -6.184) 13.015 11.481 ( -6.835 9.994 -3.241) 12.534 11.881 ( 0.600 6.747 -1.390) 6.914 12.032 ( -7.430 -1.707 -6.273) 9.873 12.344 ( 9.868 -4.431 2.744) 11.159 12.656 ( -10.776 -2.663 0.158) 11.101 12.880 ( 1.098 -2.824 1.777) 3.513 13.102 ( 6.955 7.806 2.325) 10.711 13.220 ( -0.933 -1.538 -0.727) 1.940 13.467 ( 1.472 1.334 -2.348) 3.076 13.592 ( -2.180 -8.038 -17.844) 19.692 13.789 ( -12.883 -4.934 25.707) 29.174 14.079 ( -9.543 -5.974 3.039) 11.661 14.377 ( -10.248 9.448 1.150) 13.986 14.507 ( -1.187 -2.946 -0.137) 3.179 15.750 ( 9.871 5.707 0.766) 11.428 15.868 ( 5.958 -0.208 -0.482) 5.981 16.868 ( 0.539 -1.149 2.537) 2.836 17.053 ( -0.011 -2.388 -2.248) 3.280 17.821 ( 0.783 14.043 -0.193) 14.066 17.925 ( -1.076 2.750 -0.731) 3.042 19.332 ( 0.565 -25.586 1.601) 25.642 20.507 ( -77.102 -52.142 -6.698) 93.319 21.483 ( 0.061 -1.505 0.048) 1.507 21.637 ( 0.158 -1.358 0.230) 1.386 22.275 ( -1.460 0.731 3.797) 4.133 22.761 ( -24.839 -12.855 9.212) 29.447 23.416 ( 14.046 4.188 -45.315) 47.627 24.105 ( -16.226 2.422 3.867) 16.856 24.247 ( 0.142 -0.842 2.440) 2.586 24.937 ( 17.470 2.261 6.028) 18.619 25.834 ( -3.989 8.235 -3.027) 9.638 26.058 ( 36.626 23.948 1.190) 43.776 26.297 ( 17.838 9.267 4.217) 20.539 26.746 ( 47.099 25.077 13.014) 54.923 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 11.483 -19.207 -17.235) 28.245 1.542 ( 8.695 -23.835 22.224) 33.729 1.687 ( 25.467 3.258 8.849) 27.157 2.020 ( 8.768 2.035 -10.253) 13.643 2.666 ( 34.619 -30.249 -3.488) 46.105 2.919 ( 5.419 -11.807 -0.845) 13.019 3.045 ( -6.682 -2.040 2.846) 7.544 3.365 ( 39.090 -3.863 17.580) 43.034 3.626 ( 7.152 -5.082 -2.776) 9.202 3.715 ( 8.012 1.600 -2.648) 8.589 4.024 ( 1.695 -17.732 0.152) 17.813 4.586 ( 9.336 -3.615 -2.371) 10.288 4.782 ( -8.715 0.236 0.025) 8.718 4.848 ( -2.550 -2.470 -4.552) 5.772 5.011 ( 3.651 -1.663 5.562) 6.858 5.194 ( 7.868 -3.487 -1.543) 8.743 5.609 ( -3.304 8.789 2.364) 9.682 5.730 ( -1.018 2.112 1.094) 2.587 5.885 ( 0.492 -15.550 1.021) 15.591 5.920 ( -13.893 5.699 -1.884) 15.134 6.348 ( 17.225 -1.025 6.673) 18.501 6.447 ( -4.800 2.389 0.391) 5.376 6.722 ( 9.610 6.951 1.137) 11.915 6.778 ( 4.852 6.910 -6.260) 10.511 7.198 ( 2.754 -6.860 -4.358) 8.581 7.305 ( -2.368 -0.499 -20.879) 21.019 7.365 ( -8.543 2.471 -5.144) 10.274 7.536 ( -3.569 5.044 5.132) 8.032 7.685 ( -8.406 2.289 8.499) 12.171 7.831 ( -10.448 10.465 -4.038) 15.329 7.958 ( 3.967 -3.850 4.155) 6.915 8.149 ( -9.221 8.198 2.284) 12.548 8.201 ( 1.286 9.401 6.138) 11.300 8.421 ( -7.034 4.917 -0.579) 8.601 8.578 ( 6.688 4.631 2.874) 8.628 8.805 ( -7.643 7.123 0.579) 10.464 8.931 ( -5.119 -0.344 1.745) 5.419 8.990 ( -0.140 3.933 -2.264) 4.540 9.241 ( 4.081 2.212 3.046) 5.552 9.683 ( 4.694 3.882 -0.158) 6.093 9.757 ( 0.177 -2.199 -1.289) 2.555 9.947 ( 1.627 -6.898 -0.533) 7.107 10.206 ( -2.628 -0.952 1.471) 3.159 10.745 ( -14.346 9.374 1.718) 17.223 11.262 ( -4.012 8.854 -0.073) 9.721 11.660 ( -7.579 9.797 -4.579) 13.205 12.006 ( -10.199 -1.795 -3.155) 10.825 12.368 ( -10.004 5.847 0.854) 11.618 12.592 ( 2.898 0.017 -1.146) 3.116 12.931 ( 1.974 0.670 0.922) 2.279 13.105 ( 7.181 0.434 0.294) 7.200 13.249 ( -0.338 -2.816 1.185) 3.073 13.459 ( 3.759 2.039 -3.506) 5.530 13.624 ( -5.844 -3.186 -10.693) 12.596 13.791 ( -4.268 -0.433 13.381) 14.052 14.088 ( -6.690 -1.377 -4.124) 7.979 14.131 ( -6.149 3.117 7.093) 9.891 14.564 ( -0.294 -4.255 1.833) 4.642 15.771 ( 5.601 1.346 0.889) 5.828 15.937 ( 6.816 -0.120 -1.290) 6.938 16.896 ( -0.220 -1.015 3.856) 3.993 17.097 ( -0.130 -3.422 -3.388) 4.817 17.630 ( 1.291 9.155 0.007) 9.246 17.853 ( -1.130 3.938 -1.422) 4.337 19.785 ( -0.206 -25.683 3.003) 25.859 20.584 ( -33.372 -25.932 -5.285) 42.592 21.519 ( 0.008 -2.647 0.157) 2.652 21.674 ( 0.558 -2.578 0.334) 2.659 22.249 ( -2.063 0.705 1.587) 2.697 22.718 ( -11.819 -2.817 3.733) 12.711 23.404 ( 8.943 3.812 -21.055) 23.191 23.877 ( -18.533 3.736 8.041) 20.545 24.274 ( -0.219 -1.650 3.466) 3.845 25.075 ( 17.077 5.340 5.947) 18.855 25.690 ( -9.168 -2.611 -11.786) 15.158 26.030 ( 28.548 19.391 0.980) 34.524 26.331 ( 11.123 5.537 4.285) 13.143 26.827 ( 18.084 7.857 4.298) 20.180 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 11.505 1.205 -7.611) 13.847 1.909 ( 14.054 -2.102 4.171) 14.810 2.079 ( 15.552 -25.357 9.087) 31.103 2.328 ( 10.298 -19.528 2.137) 22.180 2.931 ( 3.973 -0.930 -2.488) 4.780 3.043 ( -1.748 -3.834 1.228) 4.389 3.338 ( 15.930 -6.814 5.108) 18.064 3.679 ( -1.734 -4.579 -11.238) 12.258 3.833 ( 12.104 -7.850 2.839) 14.703 4.193 ( 36.292 -21.061 7.849) 42.688 4.355 ( 10.139 -18.045 3.990) 21.080 4.638 ( 0.097 -0.071 13.483) 13.483 4.696 ( -4.646 2.878 -7.495) 9.276 4.958 ( -3.798 -12.987 -22.514) 26.267 5.012 ( 2.533 6.198 -1.426) 6.845 5.177 ( -0.957 2.865 -3.126) 4.347 5.469 ( 0.674 6.882 3.547) 7.771 5.676 ( -11.336 2.348 -0.229) 11.579 5.833 ( 7.294 -5.306 17.332) 19.538 6.189 ( 3.960 -13.186 -0.005) 13.768 6.278 ( 1.543 8.665 5.795) 10.537 6.490 ( 7.546 4.467 -4.388) 9.806 6.697 ( 3.889 7.245 -1.610) 8.379 6.760 ( 9.185 0.274 0.378) 9.197 7.086 ( -10.566 13.090 -0.831) 16.843 7.157 ( -5.287 4.990 -17.507) 18.957 7.259 ( -3.373 -0.225 -3.666) 4.987 7.523 ( -7.844 8.196 6.034) 12.850 7.547 ( -11.364 4.711 1.940) 12.454 7.613 ( -5.953 3.956 -8.254) 10.919 7.873 ( -6.229 -1.815 -2.374) 6.909 8.073 ( 5.625 9.563 0.784) 11.122 8.143 ( 5.218 -3.345 7.805) 9.967 8.306 ( -1.946 0.803 0.171) 2.112 8.590 ( 0.994 5.298 1.646) 5.636 8.684 ( 1.247 -2.276 4.588) 5.271 8.828 ( -4.975 4.681 5.323) 8.660 8.957 ( -2.927 0.000 -5.772) 6.472 9.220 ( 1.291 5.586 5.475) 7.927 9.612 ( -6.026 0.288 -1.356) 6.183 9.781 ( 7.399 4.539 -5.393) 10.219 10.049 ( -1.385 -5.739 -1.213) 6.027 10.241 ( -1.089 -3.119 2.737) 4.290 10.430 ( -14.146 10.467 2.365) 17.756 11.101 ( -1.210 7.480 2.648) 8.027 11.450 ( -7.510 4.606 -3.621) 9.525 11.789 ( -18.583 8.650 4.600) 21.008 12.157 ( -10.328 2.996 -5.540) 12.097 12.633 ( 5.479 1.000 -2.787) 6.228 12.893 ( 1.025 4.565 -2.719) 5.411 13.203 ( 7.102 -1.606 2.099) 7.578 13.304 ( 0.006 -2.990 4.629) 5.510 13.461 ( 2.854 1.249 -4.422) 5.409 13.560 ( -5.316 1.369 -4.675) 7.211 13.741 ( -5.867 0.797 5.082) 7.803 13.982 ( -2.728 2.515 1.601) 4.041 14.206 ( -0.638 -7.900 -0.298) 7.931 14.633 ( 0.315 -3.098 3.167) 4.441 15.822 ( 4.466 -0.752 1.528) 4.780 16.002 ( 5.445 -0.384 -1.990) 5.810 16.904 ( -1.343 -0.065 3.151) 3.426 17.146 ( 0.045 -2.978 -2.687) 4.012 17.543 ( 1.028 3.176 0.459) 3.370 17.776 ( -0.555 3.687 -1.873) 4.172 20.157 ( -0.321 -18.100 3.974) 18.534 20.649 ( -18.112 -14.292 -5.161) 23.642 21.568 ( 0.026 -3.116 0.312) 3.131 21.731 ( 0.869 -2.995 0.207) 3.125 22.225 ( -1.924 -0.302 0.999) 2.189 22.620 ( -8.033 2.890 1.548) 8.676 23.396 ( 8.040 3.748 -13.151) 15.863 23.665 ( -15.611 1.825 9.244) 18.234 24.306 ( -0.257 -1.730 3.076) 3.539 25.116 ( 8.714 5.515 0.072) 10.313 25.702 ( -1.034 -6.119 -7.201) 9.506 26.004 ( 20.340 14.195 1.417) 24.844 26.355 ( 4.975 2.367 2.911) 6.231 26.869 ( 9.174 4.352 1.390) 10.248 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 5.988 4.429 -3.151) 8.088 2.105 ( 7.049 -6.797 -0.842) 9.828 2.583 ( 13.192 -8.598 1.424) 15.811 2.651 ( -1.604 -8.354 11.136) 14.013 3.035 ( 11.492 -10.094 2.896) 15.567 3.135 ( 2.744 -5.806 -3.600) 7.362 3.503 ( 6.576 -0.221 1.888) 6.846 3.786 ( -3.084 -13.552 -7.652) 15.866 4.038 ( 7.723 -3.929 -1.927) 8.877 4.422 ( -0.348 4.657 9.686) 10.753 4.563 ( -4.609 8.501 2.664) 10.030 4.610 ( -9.747 4.818 -2.297) 11.113 4.812 ( 2.722 -6.480 -9.416) 11.750 4.886 ( 4.718 3.650 -6.602) 8.898 5.108 ( 11.628 -13.441 8.347) 19.636 5.305 ( 2.036 -11.277 -7.492) 13.691 5.504 ( 4.943 0.113 5.907) 7.703 5.670 ( 4.812 -11.028 -0.091) 12.032 6.014 ( 5.501 -1.613 13.324) 14.505 6.257 ( 12.941 -5.548 4.405) 14.753 6.288 ( 2.300 7.889 -6.339) 10.378 6.494 ( 2.051 5.457 -0.825) 5.888 6.649 ( -0.588 -0.039 -3.198) 3.252 6.780 ( -3.003 2.271 -0.025) 3.765 6.825 ( -0.742 9.635 -2.457) 9.971 7.004 ( -3.284 2.054 -4.047) 5.602 7.128 ( -7.493 6.464 -4.260) 10.774 7.305 ( -11.974 7.742 -1.271) 14.315 7.338 ( -7.874 5.295 -8.336) 12.631 7.366 ( -5.258 6.241 8.089) 11.490 7.866 ( -1.797 2.156 -4.257) 5.099 8.041 ( 0.030 2.985 6.290) 6.962 8.317 ( 0.096 -0.794 3.075) 3.178 8.355 ( 11.858 -9.079 0.948) 14.965 8.530 ( 0.917 2.063 -0.792) 2.393 8.688 ( -2.588 2.194 -3.849) 5.131 8.808 ( 1.719 -2.123 5.533) 6.171 8.884 ( -5.632 1.929 -3.591) 6.953 9.183 ( 3.899 -0.609 10.809) 11.507 9.584 ( -5.210 -1.125 -3.109) 6.170 9.698 ( 1.096 8.175 -6.874) 10.737 10.095 ( -4.512 -1.624 -2.259) 5.301 10.180 ( -4.392 4.399 2.080) 6.555 10.247 ( -2.617 1.006 1.968) 3.426 11.008 ( 0.593 3.737 1.416) 4.040 11.327 ( -6.247 1.748 -1.766) 6.723 11.499 ( -9.916 6.440 6.755) 13.618 12.023 ( -7.122 1.262 -5.470) 9.069 12.663 ( 2.883 -0.036 -1.855) 3.429 12.819 ( 0.277 3.965 -2.737) 4.826 13.285 ( 6.105 0.657 2.759) 6.731 13.361 ( -0.641 -3.034 6.007) 6.760 13.452 ( -0.038 0.474 -5.370) 5.391 13.476 ( -2.826 2.189 -3.283) 4.854 13.702 ( -2.319 -0.135 3.042) 3.828 13.936 ( -1.891 0.725 0.514) 2.089 14.323 ( 0.526 -5.416 -1.178) 5.568 14.677 ( 0.176 -1.148 2.474) 2.733 15.880 ( 2.746 -0.995 1.501) 3.284 16.052 ( 3.033 -0.650 -1.726) 3.550 16.889 ( -1.334 0.479 1.494) 2.059 17.181 ( 0.154 -1.480 -1.258) 1.949 17.532 ( 0.576 -0.214 0.846) 1.046 17.715 ( -0.180 2.648 -1.695) 3.150 20.396 ( 0.855 -9.434 3.964) 10.268 20.664 ( -9.603 -5.812 -4.472) 12.083 21.618 ( 0.190 -2.401 0.325) 2.430 21.780 ( 0.489 -1.769 -0.017) 1.835 22.237 ( -0.069 -2.558 0.772) 2.673 22.475 ( -5.789 5.542 0.291) 8.019 23.395 ( 6.196 2.823 -8.011) 10.514 23.540 ( -9.734 -0.478 7.014) 12.007 24.334 ( -0.122 -1.106 1.747) 2.071 25.102 ( 3.401 2.863 -1.781) 4.789 25.797 ( 0.154 -5.802 -2.929) 6.502 25.977 ( 11.910 9.384 1.478) 15.234 26.367 ( 1.726 0.756 1.339) 2.312 26.882 ( 4.080 2.226 0.341) 4.660 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 -0.000 0.000) 0.000 2.212 ( 0.000 -0.000 0.000) 0.000 2.667 ( 0.000 -0.000 -0.000) 0.000 2.707 ( 0.000 -0.000 0.000) 0.000 3.160 ( 0.000 -0.000 0.000) 0.000 3.343 ( 0.000 -0.000 0.000) 0.000 3.538 ( 0.000 -0.000 -0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.098 ( -0.000 -0.000 0.000) 0.000 4.116 ( 0.000 -0.000 0.000) 0.000 4.500 ( 0.000 0.000 -0.000) 0.000 4.507 ( 0.000 -0.000 0.000) 0.000 4.819 ( 0.000 -0.000 -0.000) 0.000 4.892 ( 0.000 -0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.430 ( -0.000 -0.000 -0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 -0.000 -0.000) 0.000 6.029 ( 0.000 -0.000 0.000) 0.000 6.116 ( 0.000 -0.000 -0.000) 0.000 6.346 ( 0.000 -0.000 -0.000) 0.000 6.589 ( -0.000 -0.000 0.000) 0.000 6.657 ( 0.000 0.000 -0.000) 0.000 6.665 ( -0.000 -0.000 0.000) 0.000 6.830 ( 0.000 -0.000 -0.000) 0.000 6.837 ( -0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 -0.000) 0.000 7.126 ( 0.000 -0.000 0.000) 0.000 7.248 ( 0.000 -0.000 -0.000) 0.000 7.298 ( 0.000 -0.000 -0.000) 0.000 7.884 ( -0.000 -0.000 0.000) 0.000 7.933 ( 0.000 -0.000 -0.000) 0.000 8.341 ( 0.000 -0.000 0.000) 0.000 8.457 ( 0.000 -0.000 0.000) 0.000 8.547 ( 0.000 -0.000 -0.000) 0.000 8.702 ( 0.000 -0.000 -0.000) 0.000 8.793 ( 0.000 -0.000 0.000) 0.000 8.858 ( 0.000 -0.000 0.000) 0.000 9.353 ( 0.000 -0.000 0.000) 0.000 9.389 ( -0.000 0.000 -0.000) 0.000 9.667 ( 0.000 -0.000 0.000) 0.000 10.043 ( 0.000 -0.000 -0.000) 0.000 10.164 ( 0.000 -0.000 0.000) 0.000 10.213 ( 0.000 -0.000 -0.000) 0.000 10.983 ( 0.000 -0.000 0.000) 0.000 11.269 ( 0.000 -0.000 0.000) 0.000 11.412 ( 0.000 -0.000 -0.000) 0.000 11.966 ( 0.000 -0.000 0.000) 0.000 12.681 ( 0.000 -0.000 0.000) 0.000 12.778 ( 0.000 -0.000 -0.000) 0.000 13.315 ( 0.000 -0.000 0.000) 0.000 13.398 ( 0.000 -0.000 -0.000) 0.000 13.433 ( -0.000 -0.000 -0.000) 0.000 13.437 ( -0.000 -0.000 0.000) 0.000 13.696 ( 0.000 -0.000 -0.000) 0.000 13.920 ( 0.000 -0.000 0.000) 0.000 14.372 ( 0.000 -0.000 0.000) 0.000 14.688 ( 0.000 -0.000 0.000) 0.000 15.905 ( 0.000 -0.000 -0.000) 0.000 16.073 ( 0.000 -0.000 0.000) 0.000 16.877 ( 0.000 -0.000 -0.000) 0.000 17.193 ( 0.000 -0.000 0.000) 0.000 17.543 ( 0.000 -0.000 0.000) 0.000 17.687 ( 0.000 -0.000 -0.000) 0.000 20.491 ( 0.000 -0.000 0.000) 0.000 20.649 ( 0.000 -0.000 -0.000) 0.000 21.642 ( 0.000 -0.000 -0.000) 0.000 21.797 ( 0.000 -0.000 0.000) 0.000 22.294 ( 0.000 0.000 -0.000) 0.000 22.362 ( 0.000 -0.000 0.000) 0.000 23.396 ( 0.000 -0.000 -0.000) 0.000 23.501 ( -0.000 -0.000 0.000) 0.000 24.344 ( 0.000 -0.000 0.000) 0.000 25.093 ( 0.000 -0.000 -0.000) 0.000 25.854 ( 0.000 -0.000 -0.000) 0.000 25.952 ( 0.000 -0.000 0.000) 0.000 26.370 ( 0.000 -0.000 0.000) 0.000 26.884 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 36.969 0.000 0.316) 36.970 0.863 ( 39.778 0.000 2.282) 39.844 1.599 ( 73.274 0.000 3.596) 73.362 2.043 ( 4.857 0.000 -0.714) 4.910 2.436 ( -4.857 -0.000 -6.825) 8.377 2.755 ( 25.015 0.000 7.500) 26.115 3.094 ( -2.238 -0.000 -6.443) 6.820 3.237 ( 6.927 0.000 -7.884) 10.495 3.466 ( 1.973 0.000 22.548) 22.634 3.809 ( 10.666 0.000 -3.641) 11.270 4.183 ( 5.838 0.000 -13.123) 14.363 4.531 ( 3.167 0.000 38.179) 38.310 4.676 ( -3.174 -0.000 -13.652) 14.016 4.921 ( -2.753 -0.000 19.960) 20.149 4.964 ( 4.879 0.000 -0.361) 4.892 5.130 ( -3.172 -0.000 -0.251) 3.182 5.265 ( 9.563 0.000 -0.763) 9.594 5.918 ( -3.753 -0.000 -2.656) 4.597 5.987 ( -8.743 -0.000 -10.636) 13.768 6.013 ( 8.493 0.000 -5.326) 10.025 6.292 ( 2.994 0.000 0.015) 2.994 6.425 ( -4.235 -0.000 3.735) 5.646 6.832 ( 8.016 0.000 -9.717) 12.597 6.888 ( 7.878 0.000 -1.389) 8.000 7.133 ( 6.349 0.000 -7.002) 9.452 7.137 ( -8.478 -0.000 1.177) 8.560 7.461 ( -3.302 -0.000 13.855) 14.244 7.667 ( -4.287 -0.000 -5.555) 7.017 7.795 ( -4.639 -0.000 8.164) 9.390 7.922 ( -17.003 -0.000 -1.420) 17.062 7.929 ( -8.144 -0.000 3.511) 8.869 8.275 ( 0.783 0.000 -4.280) 4.351 8.323 ( -4.450 -0.000 4.026) 6.001 8.648 ( -6.511 -0.000 16.398) 17.644 8.700 ( 4.317 0.000 2.943) 5.225 8.724 ( 0.620 0.000 -8.450) 8.472 8.988 ( -3.729 -0.000 -3.890) 5.388 9.281 ( 4.627 0.000 -0.491) 4.653 9.329 ( -7.283 -0.000 13.213) 15.087 9.518 ( -6.297 -0.000 -1.830) 6.557 9.757 ( -1.995 -0.000 -0.206) 2.006 9.914 ( 5.937 0.000 8.276) 10.186 10.211 ( -1.862 -0.000 -14.077) 14.200 11.000 ( -2.063 -0.000 -33.558) 33.621 11.399 ( -16.997 -0.000 -3.020) 17.263 11.822 ( -16.961 -0.000 -5.484) 17.825 12.018 ( 6.504 0.000 -0.423) 6.518 12.375 ( 5.937 0.000 6.275) 8.638 12.532 ( -11.809 -0.000 3.041) 12.194 12.848 ( -1.122 -0.000 3.911) 4.068 13.194 ( -1.206 -0.000 -1.552) 1.966 13.242 ( 2.046 0.000 1.097) 2.321 13.376 ( 4.283 0.000 18.132) 18.631 13.437 ( -2.950 -0.000 -5.916) 6.611 13.633 ( 3.228 0.000 10.768) 11.242 14.000 ( -5.458 -0.000 4.732) 7.224 14.326 ( -12.827 -0.000 0.618) 12.842 14.447 ( -3.878 -0.000 0.241) 3.885 15.939 ( 8.515 0.000 0.270) 8.520 15.973 ( 2.595 0.000 1.082) 2.812 16.907 ( 4.707 0.000 1.788) 5.035 17.023 ( -0.302 -0.000 -4.748) 4.757 17.962 ( 0.476 0.000 -0.336) 0.583 17.983 ( 0.568 0.000 -0.107) 0.578 19.097 ( 2.690 0.000 1.135) 2.920 19.210 ( 1.115 0.000 -0.088) 1.119 21.473 ( 0.410 0.000 -0.138) 0.432 21.628 ( 0.186 0.000 0.451) 0.487 22.267 ( -2.941 -0.000 4.005) 4.969 22.603 ( 1.679 0.000 -0.378) 1.721 23.473 ( 7.736 0.000 -29.746) 30.735 23.946 ( -19.428 -0.000 5.437) 20.174 24.247 ( -0.472 -0.000 6.287) 6.305 25.191 ( 21.688 0.000 13.671) 25.637 25.679 ( -16.422 -0.000 -11.302) 19.935 26.297 ( 3.065 0.000 -3.696) 4.801 26.512 ( 15.814 0.000 -4.878) 16.549 27.894 ( -5.332 -0.000 0.558) 5.361 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 33.361 -0.210 -11.154) 35.177 1.414 ( 28.179 -15.591 8.623) 33.339 1.972 ( 16.636 10.108 0.490) 19.472 2.450 ( 12.949 3.764 -0.180) 13.486 2.592 ( 47.531 -25.290 0.049) 53.841 2.867 ( 10.458 7.168 5.932) 13.998 3.018 ( -1.008 3.118 0.619) 3.335 3.496 ( 18.329 -17.204 -9.971) 27.044 3.669 ( 3.434 -11.519 14.136) 18.556 3.854 ( 18.078 7.389 -0.496) 19.536 4.029 ( 10.598 13.142 -6.994) 18.274 4.604 ( 7.431 -2.592 0.390) 7.880 4.680 ( -4.610 -1.380 -6.767) 8.304 4.863 ( -1.706 3.284 9.692) 10.375 5.048 ( 5.426 -1.353 5.218) 7.648 5.224 ( 3.786 -5.203 8.500) 10.661 5.519 ( 5.276 -13.017 -2.262) 14.226 5.816 ( -8.053 5.463 -2.852) 10.141 5.833 ( -2.916 3.042 2.135) 4.724 5.909 ( 1.650 12.508 -3.187) 13.013 6.414 ( 3.365 -2.425 0.884) 4.241 6.458 ( 10.272 -5.359 4.169) 12.313 6.874 ( -3.716 3.220 -6.119) 7.850 6.883 ( 4.490 0.986 -4.920) 6.733 7.127 ( 4.222 -4.710 -4.353) 7.678 7.206 ( 3.635 -1.818 -12.990) 13.611 7.383 ( -1.742 8.637 -7.359) 11.480 7.548 ( -11.043 0.409 12.315) 16.546 7.657 ( -7.595 5.079 0.632) 9.158 7.812 ( -10.536 2.256 3.067) 11.203 7.943 ( -16.539 -5.735 0.728) 17.521 8.130 ( 3.029 6.970 0.532) 7.619 8.335 ( 0.742 0.821 1.329) 1.729 8.477 ( -7.282 9.209 11.413) 16.373 8.675 ( 0.030 2.388 0.919) 2.559 8.841 ( -2.016 -3.984 2.429) 5.082 8.873 ( -3.858 5.853 -6.521) 9.574 9.092 ( -5.790 11.686 4.477) 13.789 9.313 ( 4.357 0.912 -0.284) 4.460 9.565 ( -8.197 -5.993 0.972) 10.200 9.777 ( -2.407 -4.754 -2.807) 6.023 9.953 ( 6.987 2.459 4.697) 8.770 10.166 ( -3.233 -0.536 -0.763) 3.365 10.778 ( -10.103 10.230 -8.488) 16.696 11.228 ( -13.670 -0.072 0.054) 13.670 11.663 ( -15.897 1.300 -7.536) 17.641 11.953 ( -2.394 7.179 -4.316) 8.712 12.349 ( -14.183 5.889 3.865) 15.836 12.567 ( 4.901 -9.245 0.909) 10.503 12.885 ( -1.949 -4.937 5.112) 7.369 13.169 ( -2.275 1.754 -1.498) 3.240 13.249 ( 2.304 1.291 1.007) 2.827 13.394 ( -5.120 -5.688 -8.761) 11.634 13.545 ( 1.874 -3.401 2.663) 4.708 13.720 ( -1.843 -3.720 12.893) 13.545 13.937 ( -6.658 -2.883 -2.165) 7.572 14.174 ( -5.691 6.019 4.360) 9.361 14.463 ( -2.993 -5.705 1.238) 6.560 15.929 ( 7.461 6.824 0.976) 10.158 16.025 ( 8.107 0.874 -0.202) 8.157 16.927 ( 3.378 2.425 2.394) 4.798 17.037 ( 0.194 -2.642 -4.738) 5.428 17.844 ( 1.349 13.230 -0.413) 13.305 17.911 ( -0.045 4.601 -0.848) 4.679 19.360 ( 1.078 -23.667 3.342) 23.926 19.657 ( -14.872 -40.375 -3.592) 43.176 21.489 ( 0.523 -1.278 -0.107) 1.385 21.644 ( 0.383 -1.572 0.544) 1.706 22.234 ( -3.491 0.431 1.725) 3.918 22.630 ( -0.537 -0.923 0.040) 1.069 23.492 ( 7.631 1.493 -19.225) 20.738 23.742 ( -19.146 1.702 7.374) 20.588 24.260 ( -0.844 -0.683 8.557) 8.626 25.345 ( 7.748 5.893 7.754) 12.445 25.571 ( 2.408 -1.891 -7.125) 7.755 26.312 ( 5.622 2.059 -3.080) 6.733 26.607 ( 12.305 5.334 -6.885) 15.076 27.471 ( 10.490 33.559 4.943) 35.506 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 27.599 -3.254 -18.370) 33.313 1.894 ( 16.459 -15.470 14.469) 26.825 2.177 ( 19.503 -8.888 -1.052) 21.458 2.432 ( 25.584 18.655 4.747) 32.017 2.924 ( 6.207 -2.089 2.343) 6.956 3.016 ( 2.355 -1.986 9.875) 10.344 3.268 ( 12.182 -17.412 -5.362) 21.916 3.692 ( 1.861 6.716 -12.380) 14.206 3.862 ( 6.349 -6.240 -4.718) 10.075 4.135 ( 12.868 -13.134 2.384) 18.541 4.307 ( 40.709 -18.704 9.345) 45.765 4.592 ( -7.758 -0.252 0.602) 7.786 4.754 ( 7.360 -2.655 -11.379) 13.810 4.799 ( -0.239 5.022 2.303) 5.530 5.122 ( 5.261 1.815 5.373) 7.735 5.253 ( -0.261 4.267 -3.129) 5.298 5.578 ( 3.019 3.719 1.258) 4.952 5.647 ( -7.049 7.054 -0.982) 10.021 5.827 ( 1.751 -6.587 6.739) 9.585 6.027 ( 12.270 -11.849 10.000) 19.772 6.343 ( -4.133 3.070 0.312) 5.158 6.650 ( 1.774 3.690 -1.149) 4.252 6.797 ( 2.573 0.509 -0.069) 2.624 6.914 ( 8.090 5.034 1.416) 9.633 7.098 ( -10.341 3.922 -4.318) 11.873 7.186 ( -1.320 8.018 -19.159) 20.811 7.247 ( -1.412 1.354 -3.454) 3.970 7.469 ( -10.236 2.043 -2.161) 10.659 7.563 ( 3.438 -3.586 -4.328) 6.589 7.578 ( -11.063 8.314 4.426) 14.529 7.812 ( -11.887 2.650 0.974) 12.218 8.162 ( 4.373 -1.545 6.076) 7.644 8.278 ( 1.656 7.508 -0.913) 7.742 8.318 ( -2.415 3.482 5.960) 7.313 8.635 ( -6.517 0.831 3.510) 7.449 8.709 ( 2.181 3.962 -0.226) 4.528 8.849 ( -5.223 3.228 4.985) 7.908 8.909 ( -6.280 2.215 -2.698) 7.185 9.336 ( 3.662 3.926 3.190) 6.245 9.521 ( -8.281 -1.577 -0.595) 8.450 9.799 ( -6.190 -2.854 -5.996) 9.078 9.974 ( -0.467 -1.251 1.299) 1.863 10.208 ( 3.663 -2.911 1.481) 4.908 10.476 ( -12.531 10.423 0.657) 16.312 11.133 ( -7.411 -0.289 5.050) 8.972 11.434 ( -11.357 6.045 -6.685) 14.499 11.748 ( -12.734 7.009 -3.377) 14.923 12.097 ( -13.555 5.629 2.490) 14.887 12.686 ( 3.424 -0.472 -2.569) 4.307 12.953 ( 0.361 -0.104 -0.103) 0.390 13.141 ( -4.950 -6.401 0.434) 8.103 13.288 ( 0.785 -2.902 1.235) 3.250 13.389 ( -7.325 -2.967 -6.088) 9.976 13.579 ( 4.342 2.463 -1.609) 5.245 13.709 ( -5.160 0.748 9.375) 10.728 14.002 ( 0.301 -2.930 -3.816) 4.821 14.067 ( -2.688 -1.477 5.612) 6.395 14.547 ( -2.467 -6.356 2.495) 7.260 15.923 ( 8.249 4.099 1.058) 9.272 16.078 ( 6.785 1.895 -0.993) 7.114 16.915 ( 0.670 1.587 0.456) 1.782 17.087 ( 0.580 -3.262 -1.808) 3.774 17.662 ( 1.743 9.426 0.055) 9.586 17.830 ( -0.535 4.163 -1.634) 4.504 19.790 ( -0.730 -24.926 3.903) 25.241 20.079 ( -14.319 -29.355 -4.330) 32.947 21.525 ( 0.589 -2.356 0.071) 2.430 21.688 ( 0.549 -2.846 0.409) 2.927 22.196 ( -3.361 -0.182 0.885) 3.480 22.603 ( -3.147 2.045 0.137) 3.756 23.504 ( 5.072 2.936 -12.562) 13.862 23.550 ( -12.441 0.927 5.892) 13.796 24.283 ( -1.289 -1.329 9.516) 9.695 25.265 ( 0.868 5.444 -6.970) 8.887 25.688 ( 10.789 -0.369 4.861) 11.839 26.330 ( 7.757 3.864 -1.677) 8.827 26.559 ( 9.734 11.855 -5.780) 16.392 27.153 ( 7.984 17.928 4.528) 20.141 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 21.098 9.768 -14.554) 27.429 2.316 ( 17.868 3.714 8.981) 20.340 2.487 ( 13.577 -17.172 0.790) 21.905 2.537 ( 13.299 -4.312 5.397) 14.987 3.040 ( 7.027 -1.842 2.503) 7.683 3.119 ( 8.288 -3.631 8.431) 12.368 3.519 ( -0.168 -0.949 -13.537) 13.571 3.563 ( -4.203 -6.940 -6.349) 10.302 4.045 ( 8.135 -5.126 1.524) 9.736 4.411 ( -3.769 -5.350 6.376) 9.137 4.616 ( 1.370 -4.536 -5.171) 7.014 4.665 ( -3.531 8.614 7.853) 12.180 4.729 ( 5.413 2.974 -15.077) 16.293 4.944 ( 15.866 -15.144 4.847) 22.463 5.071 ( 4.592 9.442 -7.480) 12.892 5.235 ( 3.910 -3.010 2.490) 5.527 5.555 ( 1.132 -3.349 0.018) 3.535 5.700 ( 18.434 1.569 5.780) 19.383 6.006 ( 0.473 -6.867 12.818) 14.549 6.281 ( 11.634 -6.866 5.573) 14.613 6.410 ( 5.172 -6.524 3.722) 9.119 6.502 ( -4.766 6.244 -5.256) 9.452 6.693 ( -10.300 11.990 -2.163) 15.955 6.808 ( 1.067 2.184 2.124) 3.229 6.923 ( -3.989 7.443 -7.071) 11.014 7.027 ( -3.487 6.590 -8.490) 11.298 7.201 ( 0.843 4.701 -7.224) 8.660 7.286 ( -10.460 5.504 -6.160) 13.328 7.375 ( -7.846 2.303 7.580) 11.150 7.412 ( -7.665 15.443 4.715) 17.874 7.825 ( -1.150 -3.591 -7.645) 8.524 8.122 ( -1.919 5.371 5.593) 7.988 8.317 ( 2.662 -2.170 3.989) 5.264 8.370 ( 13.922 -6.169 -3.439) 15.611 8.559 ( -1.935 1.399 0.323) 2.409 8.693 ( -8.554 4.370 2.958) 10.051 8.766 ( 2.467 -3.413 -1.432) 4.448 8.832 ( -8.134 -0.079 2.325) 8.460 9.253 ( -0.273 4.390 10.134) 11.047 9.514 ( -2.345 -1.483 -2.951) 4.051 9.710 ( -10.532 1.333 -6.789) 12.601 10.012 ( -1.918 -4.251 -2.149) 5.135 10.201 ( -7.836 5.571 -1.815) 9.785 10.285 ( 2.774 1.936 3.203) 4.659 11.068 ( -2.983 3.573 4.392) 6.399 11.259 ( -8.330 0.344 -3.720) 9.129 11.509 ( -9.198 5.369 1.041) 10.701 11.933 ( -9.578 0.081 2.443) 9.885 12.691 ( 1.492 1.275 -3.355) 3.886 12.893 ( -0.100 4.679 -4.871) 6.755 13.242 ( -8.992 -10.581 2.999) 14.206 13.336 ( -2.746 0.550 -3.596) 4.558 13.348 ( -0.388 -2.931 1.744) 3.432 13.561 ( 4.648 4.586 -1.986) 6.825 13.676 ( -2.970 -0.355 6.098) 6.792 13.960 ( 0.181 2.803 1.660) 3.263 14.194 ( -0.064 -9.054 -1.138) 9.125 14.616 ( -3.234 -4.676 1.912) 5.998 15.952 ( 7.128 2.748 1.556) 7.796 16.099 ( 4.576 2.122 -1.785) 5.351 16.894 ( 0.001 1.053 -1.098) 1.521 17.141 ( -0.097 -2.778 0.381) 2.806 17.572 ( 1.627 3.811 0.642) 4.194 17.758 ( -0.604 3.387 -1.796) 3.881 20.157 ( -1.506 -19.122 3.039) 19.421 20.347 ( -8.936 -18.798 -3.273) 21.070 21.578 ( 0.790 -2.910 0.259) 3.027 21.743 ( 0.102 -2.873 0.060) 2.875 22.189 ( -1.639 -2.367 0.706) 2.964 22.504 ( -4.659 4.523 -0.039) 6.494 23.400 ( -9.752 0.319 4.946) 10.939 23.545 ( 8.275 2.114 -10.183) 13.291 24.309 ( -1.916 -1.558 9.573) 9.886 25.184 ( 2.016 4.511 -8.249) 9.616 25.783 ( 5.999 0.643 4.846) 7.738 26.313 ( 10.786 10.877 0.163) 15.319 26.440 ( 3.677 7.420 -3.736) 9.085 27.006 ( 2.594 8.185 1.913) 8.797 ======================= Grid point 16 (11/117) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 19.601 14.841 -9.139) 26.230 2.383 ( 14.492 7.691 7.915) 18.216 2.615 ( -1.388 -0.202 1.652) 2.167 2.745 ( 2.053 0.905 -4.170) 4.736 3.184 ( 5.869 -3.436 5.231) 8.580 3.353 ( 8.351 -4.076 0.678) 9.317 3.431 ( -10.960 -3.760 -12.457) 17.013 3.744 ( 4.228 -16.715 -1.273) 17.288 4.111 ( -2.670 1.916 5.777) 6.646 4.362 ( 0.630 11.310 -4.798) 12.302 4.498 ( 2.378 -0.445 11.103) 11.364 4.552 ( 0.436 6.329 -7.264) 9.645 4.831 ( -0.010 -2.959 0.468) 2.995 4.935 ( 3.908 6.289 -7.797) 10.752 5.296 ( -1.013 -7.980 -6.370) 10.261 5.366 ( 7.508 -5.693 3.461) 10.038 5.709 ( 14.354 4.284 14.187) 20.632 5.784 ( 2.187 -9.330 2.605) 9.931 6.090 ( -0.466 -3.190 7.440) 8.108 6.177 ( -10.156 15.745 -4.018) 19.162 6.411 ( -8.934 7.148 -7.340) 13.594 6.505 ( -4.877 1.916 -3.259) 6.171 6.658 ( 0.275 -1.098 2.488) 2.733 6.741 ( 3.051 1.627 1.952) 3.970 6.833 ( 1.078 -1.783 -4.815) 5.246 6.926 ( -6.606 10.299 2.714) 12.533 6.986 ( 6.986 -1.704 7.341) 10.276 7.095 ( -6.079 0.449 -8.306) 10.303 7.269 ( 3.481 0.582 -4.732) 5.903 7.367 ( 2.461 3.924 6.019) 7.595 7.804 ( -0.105 -4.581 -8.764) 9.890 8.021 ( -3.334 7.212 7.337) 10.815 8.332 ( -1.739 -0.121 1.096) 2.059 8.472 ( -1.146 2.042 -2.403) 3.355 8.580 ( 1.238 1.286 4.274) 4.632 8.677 ( 2.415 -4.438 -3.110) 5.933 8.722 ( -8.008 -0.866 -3.924) 8.960 8.889 ( 7.358 -3.393 5.187) 9.621 9.320 ( 0.667 -7.367 11.030) 13.281 9.356 ( -11.506 8.307 -6.542) 15.627 9.641 ( -1.382 -1.867 -2.646) 3.521 10.025 ( -2.709 -1.167 -3.090) 4.272 10.128 ( -1.297 -2.915 -0.694) 3.265 10.270 ( 4.035 3.398 -0.641) 5.314 10.986 ( -3.133 2.175 0.955) 3.932 11.241 ( -0.526 -3.351 0.170) 3.396 11.409 ( -0.934 0.555 -3.214) 3.393 11.915 ( -3.015 -4.363 8.847) 10.315 12.674 ( -0.577 0.662 -4.092) 4.185 12.813 ( -0.254 3.204 -1.961) 3.765 13.237 ( -11.994 -3.744 -3.831) 13.136 13.352 ( -1.064 -3.564 1.333) 3.951 13.394 ( 0.547 -1.969 2.940) 3.580 13.519 ( 4.030 5.249 -1.618) 6.813 13.679 ( -1.669 -1.514 3.609) 4.255 13.943 ( 2.230 1.027 1.337) 2.796 14.317 ( -0.490 -5.691 -1.092) 5.816 14.643 ( -3.837 -2.950 -0.119) 4.841 15.964 ( 4.568 3.670 0.984) 5.942 16.096 ( 1.841 1.984 -1.144) 2.938 16.883 ( 0.938 0.342 -2.022) 2.255 17.173 ( -1.069 -1.625 1.477) 2.442 17.557 ( 1.555 0.809 0.758) 1.910 17.701 ( -0.769 2.117 -1.027) 2.475 20.382 ( -3.583 -10.266 -1.543) 10.982 20.547 ( -0.362 -12.065 1.562) 12.171 21.630 ( 0.850 -1.875 0.207) 2.069 21.777 ( -0.764 -1.689 -0.192) 1.863 22.254 ( 1.428 -5.149 0.502) 5.366 22.382 ( -3.520 4.078 -0.285) 5.394 23.332 ( -7.176 -1.122 5.251) 8.962 23.585 ( 10.127 2.059 -10.160) 14.492 24.327 ( -2.752 -1.284 9.042) 9.538 25.119 ( 1.019 3.591 -6.585) 7.570 25.806 ( -0.520 0.809 2.921) 3.075 26.183 ( 7.305 14.533 2.561) 16.466 26.394 ( 2.011 2.197 -3.894) 4.902 26.916 ( -1.083 4.173 0.724) 4.372 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 17.773 15.969 -5.897) 24.610 2.346 ( 8.741 14.078 7.656) 18.254 2.539 ( -8.545 3.483 0.013) 9.227 2.727 ( 4.106 0.065 -8.556) 9.491 3.107 ( -13.099 13.257 -12.749) 22.581 3.243 ( -3.353 5.461 10.325) 12.152 3.416 ( -3.128 -0.767 -5.845) 6.674 3.905 ( -11.165 5.352 4.351) 13.123 4.206 ( 8.598 14.787 4.693) 17.737 4.272 ( 10.579 -17.937 -0.945) 20.846 4.486 ( 0.567 -0.729 -4.209) 4.309 4.604 ( 3.534 -5.334 4.402) 7.767 4.812 ( -0.548 -0.407 -4.373) 4.426 4.953 ( 2.006 0.079 6.501) 6.804 5.177 ( -9.770 14.627 -14.077) 22.529 5.374 ( 3.841 3.542 5.769) 7.783 5.743 ( -14.261 17.027 -7.922) 23.581 5.748 ( 8.095 5.359 12.563) 15.877 6.009 ( -9.119 11.058 -2.142) 14.492 6.147 ( 3.070 -8.447 3.267) 9.562 6.214 ( -14.764 6.242 -1.423) 16.092 6.334 ( -0.074 -8.296 -4.755) 9.562 6.594 ( -6.835 -5.575 6.495) 10.954 6.678 ( 1.129 -2.799 0.892) 3.147 6.851 ( 6.357 0.982 0.791) 6.481 7.014 ( -4.654 -0.747 -4.820) 6.742 7.043 ( -2.929 -9.024 8.005) 12.413 7.240 ( 1.295 -5.893 -5.953) 8.476 7.346 ( 17.303 -5.825 0.345) 18.260 7.384 ( 8.912 -1.367 5.912) 10.782 7.873 ( -1.271 3.184 1.390) 3.700 7.988 ( 5.403 -5.735 -3.744) 8.723 8.319 ( -1.920 -0.406 -2.199) 2.947 8.412 ( -3.098 5.728 -0.518) 6.532 8.500 ( -3.758 2.013 -2.044) 4.728 8.683 ( -1.579 -1.497 5.367) 5.791 8.763 ( -0.735 -2.979 -6.654) 7.327 8.930 ( 0.984 3.004 5.132) 6.027 9.143 ( -4.702 2.121 -6.604) 8.380 9.488 ( -7.539 -10.300 6.027) 14.115 9.653 ( 2.769 0.437 2.681) 3.879 10.102 ( 5.839 -7.813 -2.082) 9.973 10.177 ( 1.451 -0.762 -1.028) 1.934 10.283 ( 6.298 0.596 -1.860) 6.594 10.943 ( -3.380 -1.102 -0.142) 3.558 11.323 ( 1.691 -4.124 0.906) 4.549 11.485 ( 11.115 -6.429 -8.341) 15.311 12.030 ( 3.049 -5.956 13.215) 14.812 12.632 ( -3.958 0.669 -3.269) 5.177 12.791 ( 0.639 -0.363 1.671) 1.825 13.165 ( -10.390 -2.647 -5.590) 12.091 13.385 ( -1.373 -1.620 -0.136) 2.128 13.442 ( 0.799 -1.036 0.280) 1.339 13.473 ( 1.209 1.824 2.857) 3.598 13.699 ( -0.201 -1.747 0.527) 1.836 13.973 ( 4.698 0.394 1.677) 5.004 14.353 ( -2.103 -0.161 0.002) 2.110 14.645 ( -3.241 -2.097 -2.433) 4.564 15.924 ( 1.657 4.813 -0.709) 5.139 16.061 ( -1.112 2.721 0.748) 3.033 16.897 ( 2.254 -0.383 -2.806) 3.619 17.183 ( -1.343 -0.735 2.215) 2.693 17.552 ( 0.889 1.807 -0.479) 2.070 17.683 ( -0.559 -1.137 0.933) 1.573 20.436 ( -2.652 -1.321 -3.536) 4.613 20.741 ( 5.696 -6.798 3.906) 9.691 21.647 ( 0.524 0.801 -0.107) 0.963 21.785 ( -1.120 -0.338 -0.118) 1.176 22.277 ( -0.623 2.710 -0.533) 2.832 22.420 ( 4.454 -7.822 -0.111) 9.002 23.300 ( -6.185 -1.793 5.886) 8.724 23.653 ( 12.287 0.952 -10.344) 16.089 24.328 ( -3.609 -0.746 8.001) 8.809 25.056 ( -2.128 2.200 -4.365) 5.331 25.761 ( -7.283 -0.002 1.047) 7.358 26.020 ( 3.816 12.218 4.784) 13.665 26.365 ( 0.620 2.289 -5.253) 5.764 26.842 ( -3.927 1.931 0.742) 4.438 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 9.509 15.901 -6.141) 19.519 2.146 ( 7.081 19.927 6.013) 21.986 2.277 ( -10.867 15.234 1.518) 18.774 2.631 ( -1.039 21.355 -11.456) 24.256 2.862 ( -1.210 -4.853 -2.183) 5.457 3.083 ( -9.819 7.006 6.055) 13.496 3.327 ( -1.673 6.936 -9.331) 11.747 3.712 ( -15.492 -0.396 5.678) 16.504 3.983 ( 1.791 19.435 5.558) 20.293 4.252 ( -13.631 18.078 -9.496) 24.551 4.570 ( -9.150 21.279 -5.123) 23.722 4.626 ( -0.238 0.974 1.044) 1.447 4.766 ( 2.703 3.747 0.015) 4.621 4.827 ( 1.264 -11.960 2.994) 12.394 5.121 ( 1.771 -5.429 -0.570) 5.739 5.284 ( -5.721 13.800 7.813) 16.858 5.417 ( 9.169 0.388 6.954) 11.514 5.774 ( -6.148 0.121 -8.218) 10.263 5.797 ( 7.172 2.976 -0.349) 7.773 6.061 ( -7.242 -4.915 -10.028) 13.310 6.289 ( -1.183 -1.167 8.846) 9.001 6.385 ( -6.270 -1.241 -4.041) 7.562 6.580 ( -4.556 -0.121 1.493) 4.796 6.698 ( -6.170 0.813 0.006) 6.224 6.989 ( 7.039 -7.374 0.268) 10.198 7.117 ( 5.427 -11.563 12.160) 17.636 7.218 ( 0.382 -9.594 3.686) 10.284 7.390 ( 0.523 -11.149 -8.390) 13.963 7.518 ( 8.368 -8.646 3.360) 12.492 7.645 ( 12.399 -4.388 2.547) 13.397 7.895 ( 0.972 -5.514 -1.227) 5.732 8.023 ( 2.712 5.375 4.303) 7.400 8.142 ( -6.960 7.458 -7.128) 12.445 8.341 ( -0.180 2.444 4.274) 4.926 8.504 ( -1.298 -2.000 -7.934) 8.285 8.674 ( -2.597 -0.675 -1.716) 3.185 8.776 ( 0.575 -3.654 -3.044) 4.790 8.976 ( 1.900 -2.226 5.574) 6.296 9.120 ( -0.613 -3.085 -4.770) 5.713 9.517 ( -12.363 -6.492 2.161) 14.131 9.720 ( 5.918 -2.276 2.723) 6.900 10.145 ( -0.509 4.252 -0.001) 4.282 10.277 ( 1.141 -1.353 1.883) 2.584 10.416 ( 14.119 -7.983 -4.033) 16.713 10.969 ( -2.064 -5.922 -1.239) 6.393 11.420 ( 2.249 -5.601 0.572) 6.062 11.805 ( 20.166 -12.451 -8.153) 25.064 12.190 ( 4.639 -4.775 13.141) 14.731 12.567 ( -6.291 0.143 -0.980) 6.368 12.828 ( -0.468 -2.702 3.376) 4.349 13.094 ( -9.007 -2.226 -6.336) 11.234 13.364 ( 1.509 3.513 -3.945) 5.494 13.424 ( -2.585 -0.181 4.583) 5.265 13.534 ( 0.568 -4.605 1.798) 4.976 13.750 ( 2.245 -3.640 -0.867) 4.364 14.017 ( 5.691 1.567 1.362) 6.058 14.290 ( -3.274 3.575 0.108) 4.849 14.635 ( -2.046 -0.424 -2.976) 3.636 15.846 ( -0.132 4.805 -1.448) 5.020 15.990 ( -3.310 3.084 1.719) 4.840 16.921 ( 2.348 0.038 -3.244) 4.005 17.179 ( -0.737 0.580 2.540) 2.708 17.524 ( -0.034 1.289 -0.631) 1.435 17.723 ( 0.033 -3.351 1.423) 3.641 20.363 ( -0.695 7.530 -3.003) 8.137 20.899 ( 9.870 -1.812 3.805) 10.732 21.620 ( 0.404 2.674 -0.264) 2.717 21.761 ( -1.157 1.690 -0.093) 2.050 22.247 ( 0.885 0.898 -0.637) 1.413 22.624 ( 8.664 -8.193 -1.611) 12.033 23.283 ( -6.496 -2.415 7.775) 10.416 23.777 ( 15.194 -1.488 -10.398) 18.471 24.308 ( -4.568 -0.307 6.665) 8.086 24.979 ( -6.790 0.908 -2.869) 7.427 25.665 ( -14.472 -1.821 -0.901) 14.614 25.890 ( 4.692 9.207 8.116) 13.140 26.305 ( -2.549 2.302 -7.690) 8.423 26.772 ( -5.719 0.786 1.138) 5.884 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -6.765 12.191 -6.131) 15.231 1.822 ( 1.449 27.379 6.143) 28.098 1.988 ( 9.920 19.795 -5.828) 22.896 2.190 ( -2.957 21.101 6.312) 22.223 2.780 ( -13.354 12.572 -0.202) 18.342 2.939 ( -0.727 -0.968 -8.711) 8.795 3.193 ( -18.158 13.183 1.379) 22.481 3.347 ( -5.985 34.417 -9.863) 36.299 3.596 ( -13.570 1.853 1.634) 13.793 3.762 ( -0.586 12.445 4.934) 13.400 4.274 ( -0.270 14.730 3.128) 15.061 4.523 ( -4.394 0.110 -5.389) 6.954 4.835 ( 3.688 -3.495 0.819) 5.147 5.002 ( 3.205 -2.210 -4.702) 6.105 5.035 ( -1.486 11.162 11.411) 16.032 5.229 ( -0.073 6.638 2.273) 7.017 5.440 ( -3.329 -5.952 -3.263) 7.560 5.784 ( 9.972 -1.932 -2.673) 10.504 5.954 ( 11.386 -6.020 1.592) 12.978 6.100 ( -13.747 -9.130 -4.911) 17.217 6.127 ( -1.553 13.003 -0.796) 13.120 6.412 ( -0.776 -4.343 0.354) 4.426 6.540 ( -7.636 -2.475 0.233) 8.030 6.651 ( -2.624 -3.028 2.136) 4.541 7.221 ( 3.165 -13.769 -0.845) 14.153 7.273 ( -0.965 1.225 2.905) 3.297 7.368 ( 5.826 -3.995 14.793) 16.393 7.575 ( -0.367 -10.595 -10.013) 14.582 7.685 ( 3.732 9.898 -0.218) 10.580 7.770 ( 6.247 -9.381 5.407) 12.501 7.930 ( -5.068 -10.223 -1.635) 11.527 8.030 ( -1.416 4.337 -1.625) 4.843 8.145 ( 13.066 -6.608 -2.934) 14.933 8.363 ( -2.355 -5.764 7.572) 9.803 8.434 ( -5.563 -2.033 -10.098) 11.707 8.772 ( 6.184 -5.916 -0.075) 8.558 8.866 ( -0.346 -6.798 -3.025) 7.449 9.023 ( 3.221 0.225 7.989) 8.616 9.147 ( -3.694 -2.822 -6.728) 8.178 9.487 ( -11.059 -4.454 1.510) 12.018 9.842 ( 7.765 -1.681 -0.581) 7.966 10.040 ( -2.362 6.266 1.148) 6.794 10.248 ( -0.204 2.762 -0.296) 2.786 10.713 ( 10.994 -10.823 -2.211) 15.585 11.085 ( -2.062 -10.238 0.104) 10.444 11.567 ( 2.666 -8.689 1.514) 9.214 12.153 ( 15.570 -1.750 -4.077) 16.190 12.340 ( 2.126 -7.223 6.534) 9.969 12.522 ( -2.871 -4.321 -0.383) 5.202 12.852 ( -4.920 -1.812 3.197) 6.141 13.039 ( -4.261 -0.903 -4.458) 6.232 13.311 ( 1.229 3.590 -1.417) 4.051 13.408 ( -2.462 -0.322 2.454) 3.491 13.627 ( 0.764 -5.600 0.890) 5.721 13.849 ( 3.781 -1.229 0.016) 3.976 14.040 ( 2.384 -1.799 -0.581) 3.042 14.211 ( -0.211 2.646 -0.457) 2.694 14.604 ( -0.891 1.677 -1.645) 2.512 15.767 ( -0.599 3.724 -0.915) 3.881 15.908 ( -3.433 2.495 1.233) 4.419 16.923 ( 1.175 1.335 -2.340) 2.939 17.154 ( -0.068 2.410 1.771) 2.992 17.526 ( -0.408 -2.492 -0.188) 2.533 17.794 ( 0.455 -4.400 0.848) 4.504 20.150 ( 0.104 17.443 -1.676) 17.524 21.025 ( 12.345 0.910 2.701) 12.670 21.572 ( 0.365 3.273 -0.208) 3.299 21.713 ( -0.582 2.677 -0.112) 2.742 22.253 ( 0.908 -0.326 -0.566) 1.118 22.856 ( 14.592 -6.264 -5.365) 16.762 23.270 ( -9.012 -2.947 12.095) 15.369 23.977 ( 17.158 -4.268 -8.943) 19.814 24.269 ( -6.494 -0.388 5.539) 8.544 24.875 ( -9.417 0.581 -2.163) 9.679 25.513 ( -20.026 -1.708 -3.512) 20.403 25.871 ( 8.588 2.902 11.111) 14.340 26.206 ( -6.705 1.889 -9.577) 11.843 26.699 ( -5.272 1.523 0.986) 5.575 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 2.969 -0.000) 2.969 1.356 ( 0.000 24.097 -0.000) 24.097 1.536 ( 0.000 27.815 -0.000) 27.815 1.934 ( 0.000 39.396 -0.000) 39.396 2.310 ( 0.000 16.811 -0.000) 16.811 2.577 ( 0.000 4.599 -0.000) 4.599 2.950 ( -0.000 -0.097 0.000) 0.097 3.257 ( 0.000 5.919 -0.000) 5.919 3.396 ( 0.000 8.801 -0.000) 8.801 3.666 ( 0.000 1.125 -0.000) 1.125 4.012 ( 0.000 18.715 -0.000) 18.715 4.479 ( 0.000 3.993 -0.000) 3.993 4.875 ( 0.000 8.096 -0.000) 8.096 4.932 ( -0.000 -2.495 0.000) 2.495 4.934 ( 0.000 2.651 -0.000) 2.651 5.059 ( 0.000 8.415 -0.000) 8.415 5.618 ( -0.000 -12.738 0.000) 12.738 5.876 ( 0.000 15.439 -0.000) 15.439 5.918 ( -0.000 -2.120 0.000) 2.120 5.998 ( 0.000 3.979 -0.000) 3.979 6.138 ( -0.000 -6.268 0.000) 6.268 6.540 ( -0.000 -9.586 0.000) 9.586 6.567 ( -0.000 -3.999 0.000) 3.999 6.700 ( -0.000 -3.848 0.000) 3.848 7.163 ( 0.000 8.035 -0.000) 8.035 7.403 ( 0.000 5.527 -0.000) 5.527 7.493 ( -0.000 -14.649 0.000) 14.649 7.569 ( 0.000 3.882 -0.000) 3.882 7.683 ( -0.000 -4.382 0.000) 4.382 7.928 ( 0.000 5.328 -0.000) 5.328 7.995 ( -0.000 -11.356 0.000) 11.356 8.087 ( -0.000 -10.717 0.000) 10.717 8.372 ( -0.000 -8.300 0.000) 8.300 8.423 ( -0.000 -10.290 0.000) 10.290 8.534 ( -0.000 -6.097 0.000) 6.097 8.918 ( -0.000 -5.577 0.000) 5.577 8.954 ( -0.000 -5.058 0.000) 5.058 9.069 ( 0.000 1.547 -0.000) 1.547 9.137 ( -0.000 -3.171 0.000) 3.171 9.480 ( -0.000 -2.959 0.000) 2.959 9.854 ( 0.000 6.039 -0.000) 6.039 9.911 ( 0.000 6.580 -0.000) 6.580 10.235 ( -0.000 -1.183 0.000) 1.183 10.949 ( -0.000 -9.466 0.000) 9.466 11.274 ( -0.000 -13.982 0.000) 13.982 11.750 ( -0.000 -10.319 0.000) 10.319 12.150 ( 0.000 6.757 -0.000) 6.757 12.357 ( 0.000 2.698 -0.000) 2.698 12.755 ( -0.000 -13.925 0.000) 13.925 12.797 ( 0.000 2.897 -0.000) 2.897 13.008 ( 0.000 1.484 -0.000) 1.484 13.264 ( 0.000 2.857 -0.000) 2.857 13.416 ( -0.000 -2.333 0.000) 2.333 13.740 ( -0.000 -6.666 0.000) 6.666 13.772 ( 0.000 9.265 -0.000) 9.265 14.183 ( 0.000 1.782 -0.000) 1.782 14.214 ( -0.000 -13.931 0.000) 13.931 14.560 ( 0.000 2.798 -0.000) 2.798 15.710 ( 0.000 2.421 -0.000) 2.421 15.854 ( 0.000 1.595 -0.000) 1.595 16.896 ( 0.000 2.083 -0.000) 2.083 17.106 ( 0.000 3.354 -0.000) 3.354 17.615 ( -0.000 -8.915 0.000) 8.915 17.873 ( -0.000 -4.334 0.000) 4.334 19.781 ( 0.000 26.070 -0.000) 26.070 21.112 ( -0.000 -0.073 0.000) 0.073 21.522 ( 0.000 2.859 -0.000) 2.859 21.667 ( 0.000 2.341 -0.000) 2.341 22.267 ( -0.000 -0.734 0.000) 0.734 23.099 ( -0.000 -7.319 0.000) 7.319 23.227 ( -0.000 -0.280 0.000) 0.280 24.182 ( -0.000 -4.222 0.000) 4.222 24.214 ( -0.000 -0.299 0.000) 0.299 24.805 ( -0.000 -0.644 0.000) 0.644 25.352 ( 0.000 1.845 -0.000) 1.845 25.990 ( -0.000 -6.063 0.000) 6.063 26.093 ( 0.000 2.234 -0.000) 2.234 26.619 ( 0.000 4.384 -0.000) 4.384 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 26.131 0.000 -1.980) 26.206 1.591 ( 30.196 0.000 -9.790) 31.743 2.289 ( -5.744 -0.000 -4.208) 7.121 2.380 ( 23.661 0.000 7.190) 24.729 2.872 ( 40.097 0.000 4.278) 40.325 3.100 ( 8.395 0.000 -2.193) 8.677 3.190 ( 7.739 0.000 2.293) 8.072 3.491 ( 24.100 0.000 -5.040) 24.621 3.606 ( 5.285 0.000 17.881) 18.646 4.129 ( -4.031 -0.000 -23.827) 24.166 4.165 ( 28.057 0.000 -2.424) 28.162 4.542 ( -3.597 -0.000 -13.124) 13.608 4.848 ( 15.398 0.000 20.006) 25.246 4.909 ( 1.716 0.000 7.343) 7.540 5.060 ( -1.505 -0.000 -1.506) 2.130 5.125 ( 3.329 0.000 12.757) 13.184 5.589 ( 17.094 0.000 -1.239) 17.139 5.692 ( -15.326 -0.000 -0.639) 15.339 5.864 ( 2.581 0.000 6.632) 7.116 6.125 ( 4.608 0.000 -12.356) 13.187 6.388 ( -1.430 -0.000 3.749) 4.012 6.521 ( 15.637 0.000 2.486) 15.833 6.795 ( -10.635 -0.000 -3.115) 11.082 6.871 ( 0.508 0.000 -14.978) 14.987 7.114 ( -1.401 -0.000 3.054) 3.360 7.252 ( 4.657 0.000 -1.972) 5.057 7.470 ( 0.593 0.000 9.485) 9.504 7.506 ( -6.391 -0.000 -16.341) 17.546 7.612 ( -8.164 -0.000 -7.572) 11.135 7.688 ( -5.291 -0.000 4.501) 6.946 7.747 ( -11.023 -0.000 6.150) 12.623 8.264 ( -1.548 -0.000 5.454) 5.670 8.288 ( 1.549 0.000 -2.265) 2.744 8.464 ( -16.751 -0.000 18.998) 25.329 8.703 ( -2.870 -0.000 -2.903) 4.082 8.803 ( 3.859 0.000 2.167) 4.426 8.851 ( -5.707 -0.000 -11.315) 12.673 9.179 ( -10.463 -0.000 3.251) 10.956 9.331 ( -1.369 -0.000 -3.179) 3.461 9.444 ( 0.817 0.000 6.665) 6.715 9.667 ( -7.534 -0.000 -1.090) 7.612 10.040 ( 2.290 0.000 7.159) 7.516 10.119 ( -3.032 -0.000 0.340) 3.051 10.726 ( -16.597 -0.000 -17.477) 24.102 11.096 ( -9.133 -0.000 -1.310) 9.227 11.448 ( -16.094 -0.000 -5.192) 16.910 12.051 ( -3.125 -0.000 -1.353) 3.406 12.265 ( -14.322 -0.000 2.884) 14.609 12.439 ( -2.422 -0.000 4.764) 5.344 12.828 ( -2.297 -0.000 4.557) 5.103 13.155 ( -1.976 -0.000 -2.712) 3.355 13.204 ( -16.532 -0.000 7.986) 18.360 13.316 ( 1.929 0.000 -5.749) 6.064 13.539 ( 6.142 0.000 8.050) 10.125 13.766 ( 7.269 0.000 -0.094) 7.270 13.843 ( -4.088 -0.000 -4.465) 6.053 14.217 ( -1.825 -0.000 5.541) 5.834 14.352 ( -5.023 -0.000 1.068) 5.135 16.060 ( 5.504 0.000 1.004) 5.595 16.114 ( 7.744 0.000 1.064) 7.816 16.981 ( -1.393 -0.000 -8.047) 8.167 17.031 ( 5.944 0.000 2.442) 6.426 17.966 ( -0.048 -0.000 -0.569) 0.571 17.989 ( -0.105 -0.000 -0.071) 0.126 19.174 ( 3.873 0.000 2.064) 4.389 19.235 ( 1.241 0.000 -0.496) 1.337 21.485 ( 0.749 0.000 -0.210) 0.778 21.636 ( 0.396 0.000 0.640) 0.753 22.198 ( -4.596 -0.000 0.818) 4.668 22.632 ( 0.640 0.000 -0.666) 0.924 23.551 ( 8.112 0.000 -15.398) 17.404 23.576 ( -18.065 -0.000 7.141) 19.425 24.261 ( -1.386 -0.000 10.945) 11.033 25.363 ( -3.652 -0.000 -11.455) 12.023 25.714 ( 16.464 0.000 15.351) 22.510 26.373 ( 6.247 0.000 -6.045) 8.693 26.743 ( 9.121 0.000 -6.813) 11.384 27.740 ( -9.647 -0.000 0.015) 9.647 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 21.690 -0.383 -13.953) 25.794 1.926 ( 18.686 -7.606 -2.934) 20.387 2.327 ( 10.543 -2.593 -3.053) 11.279 2.680 ( 14.764 -9.113 5.517) 18.206 3.073 ( 6.041 2.714 11.928) 13.643 3.143 ( 10.720 11.915 7.863) 17.853 3.244 ( 16.363 0.929 -5.178) 17.188 3.713 ( 8.072 -9.012 -2.797) 12.418 3.767 ( -3.780 2.261 -8.076) 9.199 4.157 ( 13.176 -8.804 -0.506) 15.855 4.479 ( 18.954 -1.330 -15.284) 24.385 4.563 ( 19.912 -4.264 0.062) 20.364 4.859 ( 9.070 5.254 -3.368) 11.010 4.932 ( 4.389 5.586 13.773) 15.497 5.196 ( 5.997 -1.488 5.530) 8.293 5.224 ( -2.404 -4.713 5.110) 7.356 5.566 ( 0.195 -2.248 1.578) 2.753 5.708 ( 0.109 -4.497 -0.794) 4.568 5.903 ( 10.693 13.549 -3.152) 17.546 6.093 ( 12.399 -1.820 12.214) 17.500 6.338 ( -6.377 2.942 -0.410) 7.035 6.611 ( -11.467 1.498 -1.512) 11.663 6.820 ( 6.957 -2.841 5.770) 9.475 6.927 ( 6.956 -8.549 -6.621) 12.857 7.095 ( -7.800 -1.921 -3.897) 8.928 7.226 ( -1.294 5.290 -4.481) 7.053 7.300 ( -3.148 8.135 -14.312) 16.761 7.483 ( -1.542 4.443 6.985) 8.421 7.507 ( -5.361 3.526 -13.377) 14.836 7.623 ( -2.545 0.285 0.555) 2.621 7.734 ( 0.515 -1.159 3.113) 3.362 8.215 ( 0.561 3.124 5.378) 6.244 8.269 ( -10.044 -0.518 12.809) 16.286 8.384 ( -1.520 0.133 0.983) 1.815 8.587 ( -9.222 2.952 0.967) 9.732 8.760 ( -1.147 3.093 -8.667) 9.274 8.836 ( -1.713 0.614 -0.916) 2.037 8.951 ( -9.519 9.550 4.727) 14.289 9.366 ( -2.123 -6.006 -3.706) 7.370 9.459 ( 0.799 3.315 6.637) 7.462 9.621 ( -11.252 -4.929 -3.393) 12.744 9.975 ( -5.251 4.242 6.896) 9.650 10.187 ( 3.246 -5.334 1.856) 6.514 10.455 ( -18.679 4.723 -8.964) 21.250 11.037 ( -4.408 -1.539 2.786) 5.437 11.325 ( -12.469 -1.942 -7.246) 14.551 11.811 ( -9.505 14.515 -3.134) 17.631 12.068 ( -13.455 5.826 3.547) 15.085 12.589 ( -4.935 -14.890 0.788) 15.706 12.831 ( -5.100 -3.742 3.138) 7.061 13.028 ( -10.654 1.415 0.247) 10.751 13.174 ( -5.738 -5.585 3.546) 8.758 13.340 ( 1.947 -0.060 -3.313) 3.843 13.624 ( 3.391 -0.851 7.546) 8.316 13.754 ( 2.662 4.153 -4.415) 6.620 13.908 ( 3.745 -5.746 -3.563) 7.729 14.129 ( -1.728 6.269 4.840) 8.106 14.397 ( -4.075 -7.404 2.184) 8.729 16.086 ( 7.659 4.051 0.993) 8.721 16.180 ( 6.692 1.495 0.516) 6.876 16.943 ( -0.785 0.996 -7.066) 7.179 17.081 ( 4.056 0.567 2.456) 4.775 17.866 ( 0.799 11.482 -0.272) 11.513 17.905 ( -0.459 5.438 -0.682) 5.500 19.393 ( 0.851 -20.314 2.361) 20.468 19.505 ( -2.479 -25.152 -1.425) 25.314 21.503 ( 0.873 -1.219 -0.135) 1.505 21.655 ( 0.478 -1.648 0.555) 1.803 22.151 ( -4.757 -0.348 0.279) 4.778 22.612 ( -2.200 1.743 -0.495) 2.850 23.415 ( -14.106 0.406 6.077) 15.365 23.604 ( 8.983 1.000 -12.938) 15.782 24.271 ( -2.021 -0.589 12.235) 12.414 25.312 ( 2.188 2.285 -13.455) 13.822 25.867 ( 11.597 2.800 16.324) 20.219 26.426 ( 7.489 0.959 -5.566) 9.380 26.771 ( 6.626 4.950 -6.496) 10.516 27.488 ( -6.266 15.523 1.505) 16.808 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 16.543 -2.339 -23.035) 28.456 2.238 ( 12.263 -15.539 8.557) 21.565 2.483 ( 10.996 -1.332 -3.361) 11.575 2.922 ( 18.873 6.721 3.846) 20.400 3.111 ( 3.305 -2.038 7.069) 8.065 3.166 ( 9.995 0.553 15.524) 18.472 3.364 ( 3.380 -6.703 -7.396) 10.538 3.512 ( -11.214 7.507 -14.943) 20.135 4.003 ( 10.168 -10.314 -0.312) 14.486 4.337 ( 0.643 -0.452 5.751) 5.804 4.597 ( 13.626 -2.230 -9.582) 16.806 4.779 ( -3.759 6.138 2.086) 7.494 4.905 ( 12.101 7.861 -3.682) 14.893 4.975 ( 18.072 -5.648 5.094) 19.607 5.195 ( -1.921 -2.204 -0.169) 2.928 5.223 ( 3.830 3.886 -1.546) 5.671 5.654 ( 7.222 8.919 -1.709) 11.602 5.809 ( -2.381 -7.602 4.709) 9.254 5.960 ( 20.942 -5.153 5.233) 22.192 6.259 ( -2.713 -3.989 2.903) 5.631 6.346 ( 11.395 -6.771 10.989) 17.218 6.452 ( -11.748 0.297 -1.916) 11.907 6.809 ( -3.186 6.408 2.306) 7.519 6.891 ( -4.027 8.491 -5.990) 11.145 7.013 ( -3.889 10.089 -4.393) 11.671 7.119 ( -6.795 8.571 -1.387) 11.026 7.199 ( 5.088 -1.826 -5.579) 7.768 7.307 ( -8.684 1.934 2.576) 9.262 7.362 ( 1.228 8.340 -6.245) 10.491 7.675 ( 3.754 13.405 6.626) 15.417 7.731 ( 1.752 -4.890 -10.600) 11.804 8.169 ( -5.261 1.990 7.074) 9.038 8.277 ( -4.096 -4.231 3.844) 7.032 8.367 ( 7.514 -4.814 -8.552) 12.360 8.528 ( -4.144 -1.046 3.740) 5.679 8.694 ( -3.171 4.428 -0.052) 5.447 8.744 ( -9.531 0.749 5.420) 10.990 8.779 ( -0.560 2.358 -2.983) 3.843 9.336 ( -6.253 6.228 7.206) 11.393 9.473 ( 2.586 -3.998 -2.771) 5.509 9.566 ( -9.903 -2.374 -4.418) 11.101 9.898 ( -8.446 -2.909 3.699) 9.668 10.189 ( -11.708 4.522 -6.978) 14.360 10.314 ( 2.225 -3.277 3.203) 5.094 11.060 ( -1.263 -2.662 6.921) 7.522 11.186 ( -9.510 3.466 -7.156) 12.396 11.508 ( -8.617 7.054 -3.576) 11.696 11.871 ( -9.328 3.106 5.410) 11.222 12.707 ( -0.157 -1.914 -1.967) 2.749 12.852 ( -19.565 -11.744 -1.864) 22.895 12.944 ( -0.612 0.258 -1.530) 1.668 13.251 ( -4.174 -7.945 6.813) 11.268 13.339 ( 1.265 1.192 -2.569) 3.102 13.645 ( -0.600 1.638 9.074) 9.241 13.711 ( 4.344 3.944 -7.203) 9.290 14.032 ( 2.272 2.997 -0.404) 3.782 14.055 ( 0.529 -6.156 1.339) 6.322 14.475 ( -5.059 -6.764 1.499) 8.578 16.100 ( 8.292 4.383 1.050) 9.438 16.199 ( 5.185 3.452 -0.721) 6.270 16.911 ( 0.182 0.959 -5.306) 5.395 17.114 ( 1.403 -0.639 2.962) 3.340 17.698 ( 1.582 8.962 0.251) 9.104 17.812 ( -0.835 4.457 -1.282) 4.713 19.772 ( -2.201 -23.578 0.861) 23.696 19.898 ( -3.673 -25.106 -0.501) 25.378 21.543 ( 1.123 -2.379 0.053) 2.631 21.696 ( 0.079 -2.551 0.256) 2.565 22.126 ( -3.431 -2.135 0.254) 4.049 22.527 ( -4.657 3.736 -0.240) 5.975 23.308 ( -8.634 -0.387 4.609) 9.795 23.654 ( 9.724 1.687 -11.832) 15.408 24.283 ( -3.049 -1.021 12.875) 13.270 25.273 ( 5.082 4.412 -12.154) 13.893 25.921 ( 6.055 4.794 12.569) 14.752 26.468 ( 7.604 2.384 -4.824) 9.315 26.687 ( 5.116 11.127 -4.077) 12.907 27.192 ( -3.955 12.884 2.148) 13.648 ======================= Grid point 26 (19/117) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 12.362 5.422 -14.064) 19.494 2.540 ( 2.814 2.589 -0.333) 3.838 2.673 ( 10.434 -13.231 3.705) 17.253 2.890 ( 12.585 14.564 6.234) 20.233 3.146 ( -4.973 1.162 -2.090) 5.518 3.265 ( -2.360 -4.993 -9.598) 11.074 3.379 ( 4.404 -1.945 -1.657) 5.091 3.576 ( 7.199 -12.383 4.963) 15.159 4.190 ( 5.252 3.219 7.571) 9.760 4.303 ( -4.436 -4.453 -5.672) 8.466 4.631 ( 2.283 7.011 6.994) 10.163 4.701 ( 6.165 4.793 -4.982) 9.263 4.897 ( 12.986 6.845 0.191) 14.681 5.104 ( 3.223 11.144 -10.241) 15.474 5.190 ( 1.857 -4.574 1.833) 5.266 5.338 ( 8.193 -8.041 1.138) 11.536 5.609 ( -1.563 -5.027 -2.401) 5.786 5.937 ( 1.332 -8.002 2.832) 8.592 6.061 ( 3.369 4.709 18.290) 19.184 6.270 ( -12.998 5.794 -8.534) 16.594 6.385 ( -0.486 2.774 -0.469) 2.855 6.528 ( -5.193 2.599 3.381) 6.720 6.608 ( -8.477 2.065 13.978) 16.477 6.772 ( -8.650 4.490 -11.147) 14.807 6.806 ( 3.339 4.423 -3.217) 6.409 7.012 ( 11.156 2.657 -6.560) 13.212 7.127 ( 3.876 5.786 -4.229) 8.148 7.211 ( -2.555 13.216 -0.903) 13.491 7.339 ( 8.434 0.461 1.303) 8.547 7.503 ( 7.075 9.014 8.319) 14.160 7.708 ( -2.725 -3.050 -8.678) 9.593 8.102 ( -2.587 3.995 7.493) 8.877 8.295 ( -5.580 -1.703 -0.018) 5.834 8.432 ( -8.148 -0.387 -4.484) 9.309 8.540 ( -3.231 -4.423 0.471) 5.497 8.631 ( -8.321 2.868 1.135) 8.875 8.664 ( 3.565 -2.172 0.651) 4.225 8.897 ( 11.575 -7.564 0.418) 13.833 9.219 ( -8.309 -0.472 5.028) 9.723 9.431 ( -2.748 8.861 -1.461) 9.391 9.562 ( -0.468 -5.561 -2.002) 5.928 9.906 ( -7.660 -6.833 -1.152) 10.330 10.054 ( -5.621 -1.499 -2.427) 6.303 10.360 ( 3.837 1.455 -0.297) 4.114 10.996 ( -5.527 4.281 -0.863) 7.044 11.155 ( -0.703 -5.421 3.424) 6.451 11.394 ( -1.614 0.118 -6.579) 6.775 11.832 ( -1.902 -3.836 10.701) 11.526 12.679 ( -2.195 2.167 -6.083) 6.820 12.804 ( -10.426 -3.542 -0.430) 11.019 12.975 ( -7.457 -6.805 -1.910) 10.274 13.320 ( -1.090 -0.718 -0.145) 1.314 13.350 ( -1.058 -3.925 3.823) 5.580 13.630 ( -1.672 0.091 9.380) 9.529 13.670 ( 4.240 4.928 -6.940) 9.509 13.997 ( 2.504 2.019 1.568) 3.579 14.196 ( 0.627 -7.644 -1.634) 7.841 14.520 ( -5.883 -5.285 0.007) 7.909 16.102 ( 6.369 5.200 1.087) 8.294 16.174 ( 3.341 4.238 -1.347) 5.563 16.898 ( 1.377 0.502 -3.923) 4.187 17.138 ( -1.018 -1.175 2.961) 3.344 17.612 ( 1.935 3.746 0.734) 4.280 17.735 ( -1.100 3.361 -1.208) 3.737 20.094 ( -3.889 -18.364 -1.789) 18.857 20.261 ( -0.777 -21.098 1.930) 21.200 21.602 ( 1.504 -2.835 0.211) 3.216 21.733 ( -1.049 -2.183 -0.131) 2.425 22.167 ( -0.763 -5.501 0.368) 5.565 22.412 ( -4.051 4.036 -0.215) 5.722 23.259 ( -5.180 -0.885 3.560) 6.348 23.705 ( 10.395 1.765 -11.368) 15.505 24.287 ( -4.637 -1.166 12.938) 13.793 25.216 ( 4.741 6.137 -9.682) 12.405 25.884 ( 0.767 5.987 7.886) 9.930 26.473 ( 3.999 5.106 -6.083) 8.892 26.510 ( 6.376 13.951 1.483) 15.410 26.991 ( -3.977 7.222 1.057) 8.312 ======================= Grid point 27 (20/117) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 13.082 9.242 -8.302) 18.041 2.478 ( -2.496 4.214 0.666) 4.943 2.748 ( 4.591 11.999 2.393) 13.068 2.802 ( 10.191 6.481 0.220) 12.079 3.061 ( -13.311 -0.515 -11.060) 17.313 3.226 ( -4.576 3.981 1.234) 6.189 3.463 ( 3.644 -0.642 0.834) 3.793 3.950 ( 10.288 -7.461 3.616) 13.214 4.104 ( 1.793 0.137 7.438) 7.653 4.397 ( -0.866 -7.351 -5.574) 9.266 4.564 ( 1.708 6.270 1.940) 6.782 4.635 ( 6.234 6.183 -0.262) 8.784 4.838 ( 5.960 12.388 -0.328) 13.751 4.989 ( -0.901 1.974 0.340) 2.197 5.188 ( -2.316 -0.614 -10.432) 10.704 5.524 ( 7.869 -3.427 -0.575) 8.602 5.756 ( -12.260 8.411 7.459) 16.634 5.849 ( -9.383 0.958 -2.904) 9.869 6.087 ( 3.465 1.748 19.213) 19.601 6.127 ( 11.855 -8.181 -3.202) 14.756 6.264 ( -5.296 12.762 -11.286) 17.841 6.337 ( -9.044 17.388 0.384) 19.604 6.438 ( -9.028 -3.951 5.138) 11.114 6.710 ( -6.799 -3.176 1.484) 7.650 6.800 ( -0.320 -2.170 -6.733) 7.082 6.878 ( -4.997 4.166 4.373) 7.839 6.976 ( 3.059 1.088 -3.765) 4.972 7.236 ( -5.132 5.127 -1.639) 7.437 7.459 ( 18.341 -3.034 0.773) 18.607 7.501 ( 11.522 1.697 4.560) 12.508 7.901 ( 7.677 -4.218 -3.957) 9.612 7.988 ( 1.699 1.388 3.172) 3.857 8.245 ( -8.001 -1.475 -1.428) 8.261 8.401 ( -4.791 -4.030 0.135) 6.262 8.484 ( -8.141 2.265 -3.779) 9.257 8.604 ( -0.442 -3.921 1.829) 4.349 8.717 ( -0.151 -2.263 -0.917) 2.447 9.009 ( -3.727 4.973 0.142) 6.216 9.157 ( 2.161 1.828 0.588) 2.891 9.315 ( -4.945 -0.370 3.745) 6.214 9.646 ( -0.269 -3.716 3.471) 5.092 9.993 ( 2.527 -9.592 -6.279) 11.740 10.106 ( -0.967 -7.383 -1.746) 7.648 10.374 ( 5.431 2.061 0.060) 5.809 10.902 ( -4.489 0.882 -0.053) 4.575 11.244 ( -1.072 -5.000 1.429) 5.310 11.463 ( 7.713 -6.933 -6.791) 12.397 11.973 ( 4.570 -7.311 13.605) 16.107 12.587 ( -7.491 0.780 -6.642) 10.042 12.776 ( -4.011 -1.833 1.495) 4.657 12.985 ( -7.038 -4.018 -3.282) 8.743 13.328 ( -1.214 -2.025 0.073) 2.362 13.401 ( -0.811 -3.118 2.063) 3.825 13.592 ( 2.884 6.922 -0.186) 7.501 13.654 ( -1.587 -2.211 2.015) 3.386 14.029 ( 5.103 -0.569 1.970) 5.500 14.289 ( -2.197 -4.022 -1.444) 4.805 14.542 ( -4.577 -4.510 -1.464) 6.590 16.050 ( 3.050 6.778 -0.209) 7.436 16.125 ( 1.304 4.672 0.001) 4.850 16.909 ( 2.351 -0.283 -3.178) 3.963 17.147 ( -2.084 -1.482 2.640) 3.676 17.597 ( 2.052 1.597 0.371) 2.626 17.676 ( -1.433 1.597 -0.245) 2.159 20.298 ( -2.817 -10.800 -2.360) 11.408 20.586 ( 1.844 -16.453 2.520) 16.747 21.656 ( 1.621 -1.064 0.188) 1.948 21.749 ( -1.867 -1.820 -0.279) 2.622 22.290 ( 1.574 -6.173 0.111) 6.372 22.328 ( -1.513 -0.019 -0.202) 1.526 23.236 ( -3.630 -0.893 2.974) 4.777 23.772 ( 11.184 0.792 -10.872) 15.618 24.272 ( -6.562 -1.131 12.172) 13.874 25.128 ( 2.455 6.960 -6.739) 9.994 25.773 ( -3.462 6.606 3.737) 8.342 26.284 ( 1.681 13.580 2.365) 13.886 26.454 ( 5.436 6.335 -4.335) 9.406 26.856 ( -4.378 4.319 0.784) 6.199 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 10.518 17.682 -5.408) 21.273 2.366 ( -2.057 6.699 1.740) 7.220 2.562 ( 3.869 16.919 2.938) 17.603 2.809 ( -6.540 10.886 -5.711) 13.925 2.841 ( 4.358 -0.223 -4.738) 6.442 3.130 ( -3.562 2.302 5.858) 7.232 3.453 ( 2.008 4.048 -0.714) 4.575 3.678 ( -9.947 21.487 0.219) 23.678 4.314 ( 2.307 8.385 0.267) 8.700 4.405 ( -0.200 9.482 -2.178) 9.731 4.578 ( 7.556 -10.626 -0.429) 13.046 4.644 ( 0.371 -2.206 0.141) 2.241 4.735 ( -7.566 -0.778 3.735) 8.474 4.926 ( 6.065 12.741 4.452) 14.797 5.208 ( 10.593 3.112 -7.470) 13.330 5.294 ( -18.382 8.622 -8.070) 21.848 5.595 ( 4.969 7.854 3.688) 9.999 5.733 ( -8.454 12.870 7.351) 17.063 5.906 ( -5.389 -3.800 -9.129) 11.262 6.025 ( 2.013 10.010 11.930) 15.703 6.202 ( -1.411 -1.493 -4.574) 5.014 6.370 ( 5.340 -0.609 -0.343) 5.386 6.525 ( -1.441 -6.465 4.237) 7.863 6.624 ( -6.834 -0.180 -2.027) 7.131 6.931 ( 2.581 -13.961 -4.001) 14.751 6.970 ( -0.032 -9.195 -0.950) 9.244 7.035 ( 1.209 -7.101 12.747) 14.641 7.172 ( -4.171 -6.601 -8.308) 11.401 7.512 ( 5.044 -0.019 1.704) 5.324 7.710 ( 6.551 0.223 3.351) 7.361 7.907 ( 9.165 -1.708 -1.097) 9.387 8.091 ( 1.961 1.964 0.813) 2.892 8.176 ( -6.218 -0.465 -0.088) 6.236 8.357 ( -5.823 3.431 -0.658) 6.791 8.465 ( -0.041 -2.960 -7.043) 7.639 8.631 ( 0.846 -0.957 1.641) 2.079 8.725 ( -2.696 -0.397 -0.815) 2.844 8.941 ( 0.413 -2.756 -0.393) 2.814 9.125 ( 0.878 3.532 1.948) 4.128 9.304 ( -7.491 -5.059 0.752) 9.071 9.717 ( 1.752 -4.210 2.628) 5.263 10.151 ( 0.005 -3.493 -2.036) 4.043 10.233 ( 2.450 -6.378 -0.177) 6.835 10.423 ( 5.717 -2.761 -0.647) 6.382 10.877 ( -2.097 -2.325 -0.475) 3.166 11.326 ( -0.324 -6.165 -0.407) 6.187 11.731 ( 10.170 -14.102 -4.479) 17.954 12.174 ( 6.518 -5.710 11.590) 14.472 12.490 ( -8.426 -0.572 -4.581) 9.608 12.783 ( -2.530 -2.461 1.750) 3.939 12.968 ( -3.856 -2.046 -3.745) 5.752 13.360 ( -0.776 -2.657 0.069) 2.768 13.455 ( 0.222 -2.512 0.376) 2.550 13.497 ( 0.576 5.274 0.606) 5.340 13.689 ( -0.607 -3.495 0.332) 3.563 14.111 ( 7.289 -0.228 2.790) 7.808 14.269 ( -5.918 0.545 -1.741) 6.193 14.577 ( -1.714 -3.464 -1.484) 4.140 15.952 ( 1.019 6.956 -0.773) 7.072 16.042 ( -0.729 5.352 0.773) 5.456 16.934 ( 1.780 -0.403 -2.105) 2.786 17.161 ( -1.194 -1.648 1.751) 2.685 17.568 ( 0.602 3.342 -0.412) 3.421 17.675 ( -0.407 -2.297 0.686) 2.432 20.388 ( -0.979 -2.650 -1.499) 3.198 20.848 ( 2.818 -11.465 1.739) 11.934 21.661 ( 0.718 1.662 -0.019) 1.811 21.757 ( -1.120 -0.828 -0.105) 1.397 22.271 ( 0.059 1.574 -0.248) 1.595 22.506 ( 2.965 -12.058 -0.299) 12.420 23.222 ( -2.583 -0.693 2.447) 3.624 23.874 ( 11.126 -1.646 -9.148) 14.498 24.235 ( -7.863 -0.942 9.671) 12.500 25.013 ( -0.137 6.946 -3.508) 7.783 25.619 ( -5.150 6.693 0.819) 8.485 26.105 ( 1.955 10.440 4.191) 11.418 26.366 ( 1.313 7.268 -4.980) 8.908 26.760 ( -3.199 2.655 0.942) 4.263 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.000 27.426 -0.000) 27.426 2.200 ( 0.000 14.398 -0.000) 14.398 2.323 ( 0.000 13.750 -0.000) 13.750 2.493 ( 0.000 20.510 -0.000) 20.510 2.860 ( 0.000 0.362 -0.000) 0.362 3.147 ( 0.000 26.202 -0.000) 26.202 3.179 ( -0.000 -2.310 0.000) 2.310 3.463 ( -0.000 -3.408 0.000) 3.408 3.986 ( 0.000 33.312 -0.000) 33.312 4.067 ( 0.000 25.192 -0.000) 25.192 4.534 ( 0.000 7.405 -0.000) 7.405 4.574 ( 0.000 17.769 -0.000) 17.769 4.788 ( -0.000 -1.738 0.000) 1.738 4.916 ( -0.000 -14.134 0.000) 14.134 5.020 ( 0.000 0.230 -0.000) 0.230 5.351 ( -0.000 -2.453 0.000) 2.453 5.505 ( 0.000 14.175 -0.000) 14.175 5.736 ( -0.000 -13.928 0.000) 13.928 5.850 ( -0.000 -1.902 0.000) 1.902 5.976 ( 0.000 1.531 -0.000) 1.531 6.286 ( -0.000 -1.600 0.000) 1.600 6.304 ( 0.000 1.663 -0.000) 1.663 6.506 ( 0.000 2.381 -0.000) 2.381 6.634 ( -0.000 -0.071 0.000) 0.071 7.056 ( -0.000 -6.953 0.000) 6.953 7.218 ( -0.000 -9.739 0.000) 9.739 7.266 ( -0.000 -12.790 0.000) 12.790 7.322 ( -0.000 -15.933 0.000) 15.933 7.643 ( -0.000 -11.110 0.000) 11.110 7.724 ( -0.000 -2.018 0.000) 2.018 7.943 ( 0.000 10.109 -0.000) 10.109 8.031 ( -0.000 -0.423 0.000) 0.423 8.220 ( -0.000 -3.037 0.000) 3.037 8.236 ( 0.000 1.056 -0.000) 1.056 8.427 ( 0.000 4.714 -0.000) 4.714 8.728 ( -0.000 -6.768 0.000) 6.768 8.730 ( -0.000 -4.061 0.000) 4.061 9.016 ( -0.000 -4.372 0.000) 4.372 9.098 ( 0.000 0.695 -0.000) 0.695 9.348 ( -0.000 -5.394 0.000) 5.394 9.819 ( -0.000 -5.277 0.000) 5.277 10.121 ( 0.000 4.653 -0.000) 4.653 10.285 ( 0.000 0.938 -0.000) 0.938 10.584 ( -0.000 -10.579 0.000) 10.579 10.937 ( -0.000 -6.113 0.000) 6.113 11.441 ( -0.000 -7.620 0.000) 7.620 12.071 ( -0.000 -18.485 0.000) 18.485 12.282 ( -0.000 -0.633 0.000) 0.633 12.448 ( -0.000 -1.519 0.000) 1.519 12.807 ( -0.000 -1.714 0.000) 1.714 12.979 ( -0.000 -2.402 0.000) 2.402 13.389 ( 0.000 5.220 -0.000) 5.220 13.390 ( -0.000 -1.130 0.000) 1.130 13.539 ( -0.000 -4.945 0.000) 4.945 13.770 ( -0.000 -6.482 0.000) 6.482 14.129 ( 0.000 6.111 -0.000) 6.111 14.211 ( -0.000 -0.872 0.000) 0.872 14.604 ( -0.000 -0.850 0.000) 0.850 15.848 ( 0.000 5.862 -0.000) 5.862 15.952 ( 0.000 4.498 -0.000) 4.498 16.943 ( 0.000 0.396 -0.000) 0.396 17.175 ( -0.000 -0.103 0.000) 0.103 17.523 ( 0.000 1.805 -0.000) 1.805 17.726 ( -0.000 -3.780 0.000) 3.780 20.350 ( 0.000 6.820 -0.000) 6.820 21.020 ( -0.000 -6.629 0.000) 6.629 21.626 ( 0.000 2.824 -0.000) 2.824 21.746 ( 0.000 1.467 -0.000) 1.467 22.257 ( 0.000 0.396 -0.000) 0.396 22.741 ( -0.000 -13.103 0.000) 13.103 23.217 ( -0.000 -0.324 0.000) 0.324 23.998 ( -0.000 -5.002 0.000) 5.002 24.199 ( -0.000 -0.433 0.000) 0.433 24.895 ( 0.000 5.803 -0.000) 5.803 25.476 ( 0.000 5.882 -0.000) 5.882 25.992 ( 0.000 5.596 -0.000) 5.596 26.240 ( 0.000 6.694 -0.000) 6.694 26.706 ( 0.000 1.943 -0.000) 1.943 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.173 0.000 -26.685) 27.182 1.926 ( 18.723 0.000 -0.937) 18.747 2.242 ( 2.055 0.000 4.134) 4.617 2.810 ( 9.682 0.000 -0.317) 9.688 3.222 ( 10.056 0.000 18.190) 20.784 3.293 ( 7.941 0.000 -4.666) 9.211 3.449 ( 11.923 0.000 -5.314) 13.053 3.650 ( -11.435 -0.000 -9.666) 14.973 3.862 ( 14.337 0.000 14.734) 20.558 4.147 ( 11.402 0.000 3.700) 11.988 4.594 ( 19.615 0.000 -17.568) 26.332 4.796 ( 17.925 0.000 -7.665) 19.495 5.008 ( 6.139 0.000 5.416) 8.186 5.029 ( 7.024 0.000 2.356) 7.409 5.191 ( -0.146 -0.000 -2.863) 2.866 5.228 ( 3.120 0.000 11.548) 11.962 5.643 ( -4.059 -0.000 0.605) 4.104 5.667 ( 24.159 0.000 8.379) 25.571 6.067 ( -7.435 -0.000 -12.071) 14.177 6.203 ( 12.467 0.000 14.221) 18.912 6.329 ( -7.969 -0.000 6.854) 10.511 6.561 ( -3.139 -0.000 2.033) 3.740 6.887 ( 11.838 0.000 -6.854) 13.679 6.912 ( -4.069 -0.000 7.501) 8.534 6.964 ( 7.727 0.000 -2.770) 8.209 7.231 ( -12.762 -0.000 -16.273) 20.680 7.275 ( -0.761 -0.000 0.675) 1.017 7.514 ( 4.690 0.000 -23.864) 24.320 7.557 ( -5.003 -0.000 3.822) 6.296 7.589 ( 5.548 0.000 -4.582) 7.195 7.797 ( 9.618 0.000 4.325) 10.546 8.109 ( -21.373 -0.000 24.350) 32.400 8.295 ( 2.384 0.000 4.469) 5.065 8.364 ( 3.223 0.000 -1.164) 3.426 8.489 ( -14.185 -0.000 -3.522) 14.616 8.767 ( 1.118 0.000 -11.856) 11.908 8.853 ( -0.120 -0.000 1.193) 1.199 8.923 ( -15.113 -0.000 1.839) 15.225 9.247 ( -5.442 -0.000 0.623) 5.478 9.443 ( -11.659 -0.000 -4.396) 12.460 9.540 ( 3.679 0.000 8.134) 8.927 10.025 ( -6.450 -0.000 6.135) 8.901 10.070 ( -13.469 -0.000 15.236) 20.336 10.255 ( -12.669 -0.000 -21.442) 24.905 11.019 ( 0.681 0.000 0.410) 0.795 11.187 ( -6.069 -0.000 -5.572) 8.239 11.900 ( -10.020 -0.000 -0.433) 10.029 11.991 ( -12.830 -0.000 0.658) 12.847 12.258 ( -16.487 -0.000 -0.700) 16.502 12.789 ( -2.873 -0.000 -0.402) 2.901 12.921 ( -9.394 -0.000 17.922) 20.235 13.089 ( -3.147 -0.000 -3.984) 5.078 13.368 ( 3.147 0.000 -2.381) 3.946 13.676 ( 4.663 0.000 4.892) 6.758 13.789 ( -1.778 -0.000 -6.965) 7.189 13.911 ( 7.117 0.000 -3.115) 7.769 14.210 ( -0.751 -0.000 4.174) 4.241 14.263 ( -4.112 -0.000 2.188) 4.658 16.197 ( 7.043 0.000 0.908) 7.101 16.258 ( 5.750 0.000 1.200) 5.874 16.918 ( -1.447 -0.000 -7.974) 8.104 17.147 ( 4.192 0.000 2.074) 4.677 17.952 ( -1.087 -0.000 -0.627) 1.255 17.980 ( -0.599 -0.000 0.155) 0.619 19.251 ( 0.404 0.000 -0.822) 0.916 19.259 ( 3.394 0.000 2.137) 4.011 21.502 ( 0.918 0.000 -0.178) 0.935 21.648 ( 0.587 0.000 0.554) 0.808 22.095 ( -5.208 -0.000 -0.159) 5.211 22.595 ( -4.465 -0.000 -0.376) 4.480 23.303 ( -9.747 -0.000 4.595) 10.776 23.683 ( 9.287 0.000 -11.622) 14.876 24.266 ( -2.591 -0.000 12.897) 13.155 25.353 ( 6.785 0.000 -14.223) 15.759 26.022 ( 6.554 0.000 18.707) 19.822 26.510 ( 9.339 0.000 -6.467) 11.360 26.856 ( 4.699 0.000 -5.709) 7.394 27.508 ( -12.663 -0.000 0.399) 12.669 ======================= Grid point 35 (24/117) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 5.926 -4.522 -20.863) 22.155 2.186 ( 9.525 -6.799 1.879) 11.853 2.416 ( 2.312 -14.617 -3.329) 15.168 2.867 ( -1.159 -5.085 -2.298) 5.699 3.310 ( 8.075 6.532 12.095) 15.942 3.348 ( 1.372 0.696 -9.884) 10.003 3.442 ( 10.010 9.654 2.633) 14.153 3.494 ( -6.016 2.655 -0.000) 6.575 4.033 ( 17.005 -1.732 7.966) 18.858 4.353 ( 9.242 -3.521 1.945) 10.080 4.782 ( 12.496 2.578 -1.035) 12.801 4.796 ( 1.576 2.202 -7.462) 7.938 5.075 ( 9.057 -1.174 -0.245) 9.136 5.122 ( 3.269 -0.326 6.343) 7.143 5.203 ( 13.303 4.405 -1.828) 14.132 5.306 ( 7.552 0.332 -3.185) 8.203 5.641 ( -5.650 -5.273 4.142) 8.769 5.901 ( 7.889 9.141 -0.913) 12.109 5.962 ( -6.993 -5.939 -5.096) 10.495 6.176 ( -6.838 -1.882 5.487) 8.967 6.409 ( 9.675 -3.195 11.376) 15.271 6.478 ( 2.504 7.434 5.744) 9.723 6.854 ( -1.086 0.896 -0.022) 1.408 6.935 ( 1.380 4.268 -3.647) 5.781 7.057 ( 3.194 0.347 -5.633) 6.484 7.228 ( 7.419 2.502 -4.243) 8.905 7.252 ( -3.196 0.245 1.611) 3.587 7.309 ( 1.319 10.886 -0.730) 10.990 7.554 ( 4.744 9.171 -7.654) 12.853 7.645 ( 1.556 -4.455 -13.979) 14.754 7.909 ( 8.326 2.940 6.747) 11.113 8.001 ( -14.503 -7.133 13.471) 21.040 8.262 ( -0.650 4.142 -0.960) 4.301 8.355 ( 2.132 -0.621 -7.205) 7.539 8.466 ( -0.413 -4.331 4.400) 6.187 8.694 ( -13.847 5.078 5.650) 15.794 8.749 ( 1.478 2.817 -6.019) 6.808 8.791 ( -4.113 3.137 -2.078) 5.574 9.284 ( -5.536 -7.304 2.415) 9.477 9.354 ( -10.487 -2.616 -7.146) 12.957 9.529 ( -1.096 3.429 6.676) 7.585 9.780 ( -17.136 2.329 7.308) 18.774 10.024 ( -16.503 -4.186 -3.150) 17.314 10.263 ( 3.694 -5.552 -2.349) 7.071 11.041 ( 2.490 -0.466 3.545) 4.357 11.147 ( -2.035 1.032 -6.988) 7.351 11.587 ( -10.287 14.348 -1.095) 17.688 11.836 ( -9.698 2.594 1.397) 10.136 12.311 ( -19.518 -19.663 -0.361) 27.708 12.747 ( -2.090 1.169 -1.770) 2.978 12.932 ( -0.982 -1.869 8.835) 9.083 13.083 ( -4.576 -5.353 3.595) 7.907 13.381 ( 2.373 1.457 -2.001) 3.429 13.689 ( -1.268 2.959 2.424) 4.030 13.764 ( 1.445 -0.642 -5.304) 5.534 13.995 ( 5.023 -2.769 -2.501) 6.258 14.130 ( 0.284 5.235 2.505) 5.810 14.319 ( -3.984 -6.098 1.947) 7.540 16.245 ( 6.992 2.821 0.861) 7.588 16.296 ( 4.349 1.992 0.235) 4.790 16.898 ( -0.495 -0.606 -6.254) 6.303 17.163 ( 2.498 2.313 2.450) 4.194 17.876 ( 0.340 9.548 -0.076) 9.554 17.885 ( -1.138 5.463 -0.432) 5.597 19.401 ( -0.443 -17.106 -0.385) 17.117 19.489 ( 0.400 -20.084 1.168) 20.122 21.522 ( 0.996 -1.394 -0.081) 1.715 21.666 ( 0.377 -1.302 0.371) 1.406 22.055 ( -4.228 -1.465 -0.174) 4.478 22.521 ( -5.864 1.958 -0.085) 6.183 23.238 ( -5.080 -0.345 3.073) 5.947 23.750 ( 9.060 0.736 -10.686) 14.029 24.263 ( -3.273 -0.280 12.634) 13.054 25.384 ( 8.307 3.021 -12.504) 15.313 26.068 ( 2.291 3.677 15.478) 16.073 26.585 ( 10.066 1.950 -5.912) 11.835 26.850 ( 3.396 4.592 -4.035) 6.993 27.301 ( -11.440 8.210 1.334) 14.144 ======================= Grid point 36 (25/117) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 2.217 -4.637 -14.739) 15.609 2.453 ( 4.470 -13.198 2.192) 14.105 2.633 ( 7.517 -8.439 -2.046) 11.485 3.027 ( -5.938 -16.970 -1.663) 18.056 3.117 ( -10.085 6.123 -5.231) 12.906 3.270 ( 6.207 14.716 1.295) 16.024 3.379 ( 2.771 3.144 -3.961) 5.767 3.598 ( 13.675 -2.150 13.719) 19.489 4.195 ( 0.676 -1.221 -4.720) 4.922 4.403 ( 10.836 5.819 5.552) 13.495 4.763 ( 5.456 2.267 5.750) 8.244 4.861 ( 11.887 5.480 -3.581) 13.570 5.136 ( 4.481 5.176 1.420) 6.992 5.157 ( 1.055 -1.288 6.803) 7.003 5.317 ( 8.697 4.763 -16.625) 19.358 5.337 ( 11.945 -2.812 2.555) 12.535 5.543 ( -13.598 7.785 -1.482) 15.739 5.819 ( 1.363 -4.796 4.593) 6.779 6.015 ( -8.496 -10.196 -6.497) 14.777 6.158 ( -4.101 1.533 4.148) 6.031 6.433 ( -6.840 -2.938 4.795) 8.855 6.528 ( 6.103 3.217 4.748) 8.375 6.687 ( -8.838 8.793 11.024) 16.641 6.816 ( -8.557 17.054 -4.149) 19.527 6.962 ( 0.113 10.173 -7.518) 12.650 7.205 ( 24.533 -2.175 0.457) 24.634 7.280 ( 3.010 8.054 -7.752) 11.577 7.346 ( 6.322 4.002 -4.760) 8.868 7.424 ( 3.429 4.383 0.416) 5.580 7.628 ( 2.316 -3.003 -6.465) 7.496 7.845 ( 8.495 14.460 9.493) 19.271 8.015 ( -13.635 -8.193 11.326) 19.527 8.231 ( 1.855 3.007 -6.524) 7.419 8.381 ( -5.786 -1.042 -3.850) 7.028 8.438 ( -8.817 4.640 1.001) 10.014 8.586 ( -5.484 -1.017 4.668) 7.273 8.680 ( 1.913 0.390 -1.280) 2.335 8.883 ( 11.602 -7.965 -5.173) 14.994 9.147 ( -11.294 2.014 0.860) 11.505 9.417 ( -1.654 -6.851 -0.494) 7.065 9.546 ( -0.079 -3.273 -0.209) 3.280 9.655 ( -13.710 -4.357 4.264) 15.005 9.932 ( -9.985 -2.963 -2.102) 10.625 10.377 ( 2.759 -3.489 0.064) 4.448 11.007 ( -5.317 5.329 -5.407) 9.268 11.124 ( 4.127 -0.929 6.991) 8.171 11.366 ( -4.297 2.587 -5.622) 7.534 11.788 ( 0.295 -3.118 5.518) 6.345 12.400 ( -21.234 -15.348 -1.002) 26.219 12.711 ( 0.220 1.133 -3.040) 3.251 12.940 ( 0.731 0.908 -1.086) 1.594 13.192 ( -3.488 -9.171 9.663) 13.771 13.360 ( 0.810 2.413 -1.653) 3.035 13.624 ( -2.725 1.134 1.451) 3.289 13.774 ( 3.122 2.150 -3.831) 5.390 14.060 ( 0.617 2.469 2.395) 3.495 14.105 ( 3.369 -3.980 -2.438) 5.756 14.370 ( -4.956 -5.369 0.719) 7.342 16.249 ( 5.036 4.585 0.819) 6.859 16.281 ( 3.286 4.136 -0.816) 5.345 16.902 ( 0.848 -0.678 -4.143) 4.283 17.144 ( 0.202 1.947 2.790) 3.408 17.727 ( 1.086 7.905 0.358) 7.987 17.788 ( -1.004 4.612 -0.768) 4.782 19.721 ( -2.037 -21.212 -1.171) 21.342 19.871 ( -0.338 -24.168 1.460) 24.214 21.569 ( 1.238 -2.803 0.060) 3.064 21.692 ( -0.504 -1.546 0.067) 1.627 22.068 ( -2.085 -4.301 0.036) 4.780 22.426 ( -4.302 2.758 -0.032) 5.110 23.212 ( -2.585 -0.509 1.993) 3.303 23.805 ( 8.301 0.931 -9.684) 12.789 24.252 ( -4.162 -0.155 11.479) 12.212 25.366 ( 6.688 6.175 -9.107) 12.876 26.013 ( -0.446 6.529 9.745) 11.739 26.613 ( 8.129 5.445 -5.979) 11.466 26.759 ( 3.190 9.385 -0.137) 9.914 27.059 ( -8.649 7.704 1.457) 11.673 ======================= Grid point 37 (26/117) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 1.242 -1.930 -5.658) 6.106 2.517 ( -2.113 1.760 -1.671) 3.218 2.892 ( -7.102 3.951 -5.731) 9.945 2.949 ( 12.225 -6.030 4.013) 14.210 3.090 ( 4.411 11.966 2.270) 12.953 3.270 ( -3.379 7.368 -3.397) 8.789 3.324 ( -2.820 -17.320 -1.191) 17.588 3.854 ( 11.057 -10.901 9.154) 18.025 4.165 ( -6.439 -6.508 -7.681) 11.951 4.385 ( 9.204 15.838 8.331) 20.124 4.736 ( 3.582 8.674 4.386) 10.359 4.823 ( 6.500 8.062 -6.869) 12.427 5.011 ( -9.915 9.690 1.711) 13.969 5.141 ( -0.177 -1.412 -3.586) 3.858 5.253 ( 12.618 16.911 -3.676) 21.417 5.403 ( 2.129 -12.176 -4.087) 13.018 5.626 ( 4.096 -10.115 7.183) 13.065 5.944 ( -14.005 13.832 -1.984) 19.784 5.983 ( 0.999 -10.650 2.773) 11.051 6.121 ( -3.022 -7.305 -3.367) 8.593 6.322 ( -6.402 3.638 14.677) 16.421 6.449 ( 0.901 6.522 -9.087) 11.222 6.509 ( -3.174 4.300 6.163) 8.158 6.607 ( -1.454 11.551 2.541) 11.916 6.789 ( -1.329 5.561 -7.731) 9.616 7.061 ( 4.363 8.282 -6.940) 11.653 7.165 ( -2.090 13.591 1.000) 13.788 7.246 ( -7.813 11.135 -1.080) 13.645 7.595 ( 21.097 -5.979 1.022) 21.952 7.739 ( 11.161 12.127 7.422) 18.076 7.900 ( 12.816 -10.379 -3.657) 16.892 7.992 ( -9.415 1.757 4.330) 10.511 8.110 ( -7.814 -1.013 -4.812) 9.233 8.287 ( -6.741 -1.769 1.423) 7.114 8.359 ( -8.714 -1.384 -0.298) 8.828 8.570 ( -0.936 -2.762 -0.422) 2.946 8.698 ( 2.096 0.356 -0.172) 2.133 8.969 ( -5.968 -1.707 -0.455) 6.224 9.214 ( 7.333 -2.877 1.827) 8.087 9.404 ( -0.772 9.357 0.060) 9.389 9.551 ( -2.864 -5.062 2.555) 6.353 9.784 ( -0.026 -16.803 -6.330) 17.956 9.937 ( -5.135 -7.258 1.468) 9.011 10.436 ( 2.824 -0.361 0.037) 2.847 10.881 ( -3.646 2.437 -1.396) 4.602 11.181 ( 0.299 -1.330 3.441) 3.701 11.379 ( 1.248 -6.988 -4.325) 8.312 11.948 ( 9.156 -7.081 7.206) 13.635 12.384 ( -17.329 -8.211 -4.037) 19.596 12.706 ( -0.577 -0.897 -0.872) 1.377 12.934 ( 0.370 0.109 -0.913) 0.991 13.301 ( -0.609 -3.154 4.314) 5.378 13.329 ( -1.442 -1.525 -1.488) 2.573 13.614 ( -1.032 -1.326 2.274) 2.827 13.730 ( 2.107 5.853 -1.965) 6.524 14.055 ( 1.963 -0.957 1.008) 2.405 14.200 ( 0.195 -4.227 -1.385) 4.453 14.412 ( -3.493 -5.430 -0.206) 6.459 16.189 ( 1.681 6.530 -0.051) 6.743 16.231 ( 2.153 5.382 -0.142) 5.799 16.919 ( 1.408 -0.530 -2.264) 2.718 17.121 ( -1.204 0.414 1.925) 2.308 17.650 ( 1.329 2.989 0.473) 3.305 17.708 ( -1.037 3.742 -0.544) 3.921 20.029 ( -1.531 -17.711 -1.028) 17.806 20.267 ( 0.165 -22.593 1.107) 22.621 21.638 ( 1.609 -3.444 0.180) 3.806 21.703 ( -1.523 -0.942 -0.179) 1.800 22.159 ( -0.136 -7.904 0.112) 7.906 22.350 ( -1.672 2.640 -0.073) 3.125 23.204 ( -1.374 -0.456 1.137) 1.841 23.856 ( 6.390 0.191 -7.174) 9.609 24.226 ( -4.257 0.267 8.262) 9.299 25.282 ( 3.249 8.310 -4.645) 10.059 25.888 ( -1.424 8.445 3.939) 9.427 26.501 ( 1.015 11.804 -2.212) 12.052 26.653 ( 5.817 9.212 0.101) 10.895 26.886 ( -5.222 4.750 0.541) 7.079 ======================= Grid point 38 (27/117) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 2.522 -0.000) 2.522 2.448 ( 0.000 4.256 -0.000) 4.256 2.825 ( -0.000 -0.459 0.000) 0.459 2.852 ( 0.000 14.914 -0.000) 14.914 3.008 ( 0.000 14.295 -0.000) 14.295 3.122 ( 0.000 0.190 -0.000) 0.190 3.501 ( -0.000 -2.328 0.000) 2.328 4.069 ( 0.000 24.990 -0.000) 24.990 4.192 ( -0.000 -17.630 0.000) 17.630 4.324 ( -0.000 -17.198 0.000) 17.198 4.575 ( 0.000 11.378 -0.000) 11.378 4.699 ( 0.000 8.141 -0.000) 8.141 4.875 ( 0.000 5.847 -0.000) 5.847 5.069 ( 0.000 8.382 -0.000) 8.382 5.202 ( -0.000 -4.576 0.000) 4.576 5.464 ( 0.000 25.057 -0.000) 25.057 5.653 ( -0.000 -12.519 0.000) 12.519 5.760 ( -0.000 -3.993 0.000) 3.993 6.090 ( 0.000 25.663 -0.000) 25.663 6.168 ( -0.000 -3.441 0.000) 3.441 6.219 ( 0.000 9.353 -0.000) 9.353 6.372 ( -0.000 -10.447 0.000) 10.447 6.453 ( -0.000 -4.858 0.000) 4.858 6.498 ( 0.000 0.271 -0.000) 0.271 6.782 ( -0.000 -6.529 0.000) 6.529 6.864 ( 0.000 12.825 -0.000) 12.825 7.070 ( 0.000 1.342 -0.000) 1.342 7.071 ( -0.000 -0.059 0.000) 0.059 7.624 ( 0.000 8.796 -0.000) 8.796 7.787 ( 0.000 2.672 -0.000) 2.672 7.961 ( -0.000 -3.324 0.000) 3.324 7.983 ( -0.000 -6.674 0.000) 6.674 8.179 ( 0.000 1.863 -0.000) 1.863 8.290 ( -0.000 -5.645 0.000) 5.645 8.361 ( -0.000 -6.238 0.000) 6.238 8.635 ( -0.000 -2.912 0.000) 2.912 8.707 ( -0.000 -0.032 0.000) 0.032 8.933 ( 0.000 1.714 -0.000) 1.714 9.219 ( 0.000 5.085 -0.000) 5.085 9.256 ( 0.000 4.573 -0.000) 4.573 9.635 ( -0.000 -6.006 0.000) 6.006 10.044 ( -0.000 -8.396 0.000) 8.396 10.072 ( -0.000 -14.238 0.000) 14.238 10.444 ( 0.000 1.109 -0.000) 1.109 10.845 ( -0.000 -0.150 0.000) 0.150 11.229 ( -0.000 -4.602 0.000) 4.602 11.551 ( -0.000 -11.854 0.000) 11.854 12.147 ( -0.000 -6.424 0.000) 6.424 12.371 ( -0.000 -4.355 0.000) 4.355 12.724 ( -0.000 -2.173 0.000) 2.173 12.936 ( -0.000 -0.277 0.000) 0.277 13.314 ( -0.000 -1.644 0.000) 1.644 13.392 ( -0.000 -4.200 0.000) 4.200 13.623 ( 0.000 7.619 -0.000) 7.619 13.640 ( -0.000 -2.092 0.000) 2.092 14.121 ( -0.000 -3.813 0.000) 3.813 14.231 ( -0.000 -0.487 0.000) 0.487 14.488 ( -0.000 -5.547 0.000) 5.547 16.079 ( 0.000 7.387 -0.000) 7.387 16.142 ( 0.000 6.304 -0.000) 6.304 16.934 ( -0.000 -0.507 0.000) 0.507 17.125 ( -0.000 -1.530 0.000) 1.530 17.635 ( 0.000 3.940 -0.000) 3.940 17.645 ( -0.000 -0.689 0.000) 0.689 20.263 ( -0.000 -11.119 0.000) 11.119 20.612 ( -0.000 -18.083 0.000) 18.083 21.688 ( 0.000 0.793 -0.000) 0.793 21.713 ( -0.000 -3.364 0.000) 3.364 22.302 ( 0.000 2.193 -0.000) 2.193 22.320 ( -0.000 -11.036 0.000) 11.036 23.204 ( -0.000 -0.423 0.000) 0.423 23.896 ( -0.000 -1.342 0.000) 1.342 24.199 ( 0.000 0.481 -0.000) 0.481 25.148 ( 0.000 8.757 -0.000) 8.757 25.734 ( 0.000 9.011 -0.000) 9.011 26.300 ( 0.000 11.850 -0.000) 11.850 26.524 ( 0.000 9.796 -0.000) 9.796 26.794 ( 0.000 3.436 -0.000) 3.436 ======================= Grid point 45 (28/117) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -2.504 -0.000 -16.952) 17.136 2.220 ( 9.754 0.000 -0.241) 9.757 2.288 ( 0.535 0.000 1.321) 1.425 2.788 ( -4.452 -0.000 -8.164) 9.299 3.272 ( -10.700 -0.000 -9.286) 14.168 3.478 ( 0.290 0.000 2.764) 2.779 3.505 ( 7.592 0.000 8.085) 11.091 3.599 ( 8.529 0.000 8.449) 12.006 4.203 ( 7.042 0.000 -1.618) 7.225 4.500 ( 23.454 0.000 2.659) 23.604 4.741 ( -0.727 -0.000 6.219) 6.262 5.024 ( 16.773 0.000 -1.424) 16.834 5.091 ( 1.903 0.000 2.245) 2.943 5.167 ( 4.810 0.000 -0.244) 4.816 5.352 ( 3.907 0.000 -0.214) 3.913 5.426 ( 12.489 0.000 -12.065) 17.365 5.556 ( -2.744 -0.000 5.053) 5.750 5.753 ( -13.795 -0.000 -5.043) 14.688 6.017 ( -15.443 -0.000 9.125) 17.938 6.106 ( 7.399 0.000 -1.133) 7.485 6.477 ( -13.882 -0.000 4.852) 14.705 6.497 ( 9.588 0.000 10.856) 14.484 6.845 ( -9.310 -0.000 -7.686) 12.073 7.081 ( 29.398 0.000 2.812) 29.532 7.116 ( -2.126 -0.000 -8.498) 8.760 7.271 ( 2.459 0.000 -4.146) 4.821 7.366 ( 18.230 0.000 -0.621) 18.240 7.521 ( -1.036 -0.000 4.195) 4.321 7.535 ( 9.886 0.000 -14.507) 17.555 7.675 ( 3.687 0.000 -5.038) 6.243 7.769 ( -19.145 -0.000 17.058) 25.642 8.024 ( 9.015 0.000 -1.328) 9.112 8.312 ( 4.152 0.000 -8.456) 9.420 8.407 ( 7.486 0.000 6.645) 10.010 8.429 ( 2.375 0.000 0.235) 2.387 8.579 ( -17.646 -0.000 5.169) 18.387 8.773 ( 2.652 0.000 -7.339) 7.804 8.807 ( -4.932 -0.000 0.462) 4.953 9.088 ( -12.152 -0.000 6.057) 13.578 9.216 ( -8.939 -0.000 -9.672) 13.170 9.502 ( -30.784 -0.000 0.683) 30.792 9.618 ( 1.064 0.000 6.212) 6.302 9.866 ( -8.683 -0.000 3.907) 9.521 10.236 ( 3.571 0.000 -3.011) 4.671 11.088 ( 4.684 0.000 1.847) 5.035 11.168 ( 5.515 0.000 -4.904) 7.380 11.696 ( -9.020 -0.000 1.618) 9.164 11.749 ( -9.593 -0.000 -2.277) 9.860 11.849 ( -20.025 -0.000 -1.185) 20.060 12.728 ( -2.370 -0.000 2.118) 3.178 12.940 ( 2.491 0.000 13.266) 13.498 13.009 ( -2.829 -0.000 -2.992) 4.118 13.413 ( 1.820 0.000 -1.417) 2.306 13.673 ( -6.281 -0.000 -6.575) 9.093 13.764 ( 2.466 0.000 2.600) 3.583 14.024 ( 4.855 0.000 -3.372) 5.911 14.201 ( -2.885 -0.000 2.601) 3.884 14.222 ( 0.652 0.000 1.467) 1.606 16.334 ( 5.395 0.000 0.553) 5.423 16.350 ( 2.778 0.000 0.382) 2.804 16.877 ( -0.198 -0.000 -4.339) 4.344 17.211 ( 1.534 0.000 1.135) 1.908 17.924 ( -1.154 -0.000 -0.430) 1.232 17.970 ( -0.380 -0.000 0.226) 0.442 19.247 ( -0.292 -0.000 -0.656) 0.718 19.321 ( 1.892 0.000 1.342) 2.320 21.519 ( 0.717 0.000 -0.080) 0.721 21.662 ( 0.501 0.000 0.308) 0.588 22.000 ( -3.526 -0.000 -0.275) 3.536 22.476 ( -5.547 -0.000 0.087) 5.548 23.204 ( -2.150 -0.000 1.767) 2.783 23.822 ( 7.310 0.000 -8.611) 11.295 24.251 ( -2.960 -0.000 10.384) 10.798 25.478 ( 8.236 0.000 -10.297) 13.186 26.134 ( -0.558 -0.000 13.079) 13.091 26.707 ( 11.924 0.000 -5.290) 13.045 26.908 ( 2.161 0.000 -3.010) 3.706 27.235 ( -13.972 -0.000 1.575) 14.061 ======================= Grid point 46 (29/117) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -0.337 -8.934 -9.007) 12.691 2.329 ( 2.626 -6.363 2.598) 7.357 2.441 ( 1.601 -14.669 -2.395) 14.950 2.773 ( -3.400 -5.572 -3.274) 7.303 3.120 ( -7.013 5.163 -4.347) 9.733 3.456 ( 0.676 3.058 -0.131) 3.135 3.496 ( 1.964 6.608 0.378) 6.904 3.749 ( 12.958 -0.327 15.399) 20.128 4.146 ( -9.464 1.386 -12.557) 15.785 4.689 ( 23.917 5.656 7.135) 25.591 4.886 ( 13.689 -0.174 8.236) 15.976 5.062 ( 7.461 5.549 -0.186) 9.300 5.144 ( 0.677 -0.478 0.293) 0.879 5.189 ( -9.477 3.319 -2.140) 10.267 5.273 ( -4.997 -3.807 1.204) 6.397 5.476 ( -1.739 -4.920 -11.258) 12.409 5.539 ( -0.690 8.162 -0.182) 8.193 5.716 ( 1.711 -3.210 -3.066) 4.757 5.922 ( 0.033 -1.254 6.931) 7.043 6.161 ( 1.356 0.347 -0.387) 1.452 6.307 ( -13.539 1.529 4.021) 14.206 6.639 ( 10.216 -0.758 9.810) 14.184 6.722 ( -4.330 3.479 -2.975) 6.301 6.964 ( -13.011 4.838 -11.124) 17.788 7.137 ( 0.251 16.768 -1.200) 16.813 7.376 ( 15.050 0.128 -4.688) 15.764 7.465 ( 6.131 5.245 1.402) 8.190 7.498 ( 11.299 3.727 1.788) 12.031 7.570 ( -1.672 11.147 -1.935) 11.437 7.647 ( 10.390 -2.852 -1.495) 10.877 7.753 ( -3.681 -8.574 7.892) 12.220 8.079 ( -1.469 0.205 -1.030) 1.805 8.294 ( -4.806 8.536 -0.975) 9.845 8.354 ( 4.775 4.252 1.064) 6.482 8.483 ( -4.665 2.344 1.065) 5.329 8.547 ( 4.815 0.844 5.071) 7.044 8.707 ( 2.168 0.869 -2.943) 3.757 8.852 ( 7.993 -6.596 -6.064) 12.007 9.009 ( -17.596 -1.172 -4.708) 18.253 9.166 ( -14.664 -16.605 2.641) 22.310 9.315 ( -7.447 -4.334 2.634) 9.011 9.640 ( -0.731 0.353 2.382) 2.517 9.802 ( -5.393 -1.112 0.474) 5.527 10.316 ( 1.624 -5.331 -0.526) 5.598 11.101 ( 1.939 8.163 -1.510) 8.525 11.176 ( 4.014 0.539 0.456) 4.075 11.417 ( -5.417 10.777 -0.694) 12.082 11.725 ( 0.449 -6.047 -0.186) 6.066 11.925 ( -15.546 -17.154 0.238) 23.151 12.717 ( -0.616 -0.011 -0.358) 0.712 12.964 ( 0.331 1.137 -0.864) 1.466 13.052 ( 0.231 -6.340 7.992) 10.204 13.407 ( 0.622 2.116 -1.002) 2.423 13.598 ( -3.981 0.241 -3.261) 5.152 13.795 ( 1.153 -0.740 0.138) 1.377 14.076 ( 3.271 -1.779 -2.018) 4.235 14.137 ( -0.738 3.633 1.390) 3.959 14.265 ( -1.489 -3.104 0.926) 3.566 16.348 ( 1.801 2.650 0.282) 3.217 16.363 ( 2.583 2.031 -0.067) 3.286 16.882 ( 0.239 -1.268 -2.124) 2.485 17.198 ( 0.506 2.746 0.903) 2.935 17.863 ( -0.605 5.084 -0.235) 5.125 17.881 ( 0.111 8.689 0.096) 8.691 19.386 ( -0.480 -15.676 -0.455) 15.690 19.505 ( 0.414 -18.158 0.725) 18.177 21.539 ( 0.504 -1.712 -0.017) 1.785 21.672 ( 0.105 -0.689 0.121) 0.708 21.991 ( -1.689 -2.366 -0.112) 2.909 22.420 ( -2.980 1.236 0.063) 3.227 23.193 ( -0.802 -0.145 0.840) 1.171 23.867 ( 4.501 0.294 -5.452) 7.076 24.238 ( -2.220 0.302 6.486) 6.862 25.500 ( 4.843 3.834 -5.735) 8.429 26.110 ( -1.080 3.892 6.870) 7.969 26.787 ( 10.648 4.551 -4.600) 12.460 26.891 ( 2.133 3.636 -0.739) 4.280 27.057 ( -12.395 4.335 2.169) 13.309 ======================= Grid point 47 (30/117) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.000 -5.478 0.000) 5.478 2.472 ( -0.000 -6.029 0.000) 6.029 2.758 ( -0.000 -20.477 0.000) 20.477 2.922 ( -0.000 -7.327 0.000) 7.327 2.983 ( -0.000 -3.327 0.000) 3.327 3.343 ( 0.000 12.772 -0.000) 12.772 3.384 ( 0.000 6.438 -0.000) 6.438 3.863 ( -0.000 -0.549 0.000) 0.549 4.045 ( -0.000 -1.168 0.000) 1.168 4.762 ( 0.000 16.298 -0.000) 16.298 4.879 ( 0.000 4.140 -0.000) 4.140 4.907 ( 0.000 3.811 -0.000) 3.811 5.118 ( -0.000 -0.485 0.000) 0.485 5.191 ( -0.000 -6.955 0.000) 6.955 5.210 ( 0.000 16.396 -0.000) 16.396 5.487 ( -0.000 -3.715 0.000) 3.715 5.541 ( -0.000 -6.022 0.000) 6.022 5.818 ( -0.000 -7.096 0.000) 7.096 5.983 ( 0.000 0.383 -0.000) 0.383 6.036 ( 0.000 5.367 -0.000) 5.367 6.306 ( -0.000 -5.198 0.000) 5.198 6.598 ( 0.000 16.688 -0.000) 16.688 6.625 ( 0.000 5.475 -0.000) 5.475 6.792 ( 0.000 6.032 -0.000) 6.032 6.889 ( 0.000 8.277 -0.000) 8.277 7.239 ( 0.000 11.670 -0.000) 11.670 7.301 ( 0.000 15.046 -0.000) 15.046 7.457 ( 0.000 7.899 -0.000) 7.899 7.659 ( -0.000 -6.784 0.000) 6.784 7.709 ( -0.000 -6.151 0.000) 6.151 7.981 ( -0.000 -5.891 0.000) 5.891 8.037 ( -0.000 -1.484 0.000) 1.484 8.140 ( 0.000 6.059 -0.000) 6.059 8.151 ( 0.000 15.554 -0.000) 15.554 8.420 ( 0.000 8.327 -0.000) 8.327 8.494 ( -0.000 -3.353 0.000) 3.353 8.746 ( 0.000 2.086 -0.000) 2.086 8.871 ( -0.000 -4.561 0.000) 4.561 9.165 ( -0.000 -9.432 0.000) 9.432 9.382 ( -0.000 -10.029 0.000) 10.029 9.422 ( -0.000 -19.080 0.000) 19.080 9.588 ( 0.000 5.395 -0.000) 5.395 9.813 ( -0.000 -3.963 0.000) 3.963 10.409 ( -0.000 -4.241 0.000) 4.241 10.939 ( 0.000 7.604 -0.000) 7.604 11.236 ( 0.000 6.284 -0.000) 6.284 11.264 ( -0.000 -5.534 0.000) 5.534 11.896 ( -0.000 -8.298 0.000) 8.298 12.074 ( -0.000 -13.757 0.000) 13.757 12.707 ( 0.000 0.715 -0.000) 0.715 12.947 ( 0.000 0.942 -0.000) 0.942 13.188 ( -0.000 -8.103 0.000) 8.103 13.358 ( 0.000 3.358 -0.000) 3.358 13.588 ( -0.000 -1.236 0.000) 1.236 13.800 ( 0.000 1.398 -0.000) 1.398 14.072 ( 0.000 2.605 -0.000) 2.605 14.143 ( -0.000 -3.478 0.000) 3.478 14.311 ( -0.000 -4.035 0.000) 4.035 16.294 ( 0.000 4.876 -0.000) 4.876 16.325 ( 0.000 4.106 -0.000) 4.106 16.907 ( -0.000 -1.409 0.000) 1.409 17.149 ( 0.000 3.007 -0.000) 3.007 17.741 ( 0.000 7.203 -0.000) 7.203 17.773 ( 0.000 4.832 -0.000) 4.832 19.696 ( -0.000 -20.374 0.000) 20.374 19.872 ( -0.000 -24.031 0.000) 24.031 21.585 ( -0.000 -3.315 0.000) 3.315 21.684 ( -0.000 -0.699 0.000) 0.699 22.046 ( -0.000 -5.263 0.000) 5.263 22.378 ( 0.000 1.981 -0.000) 1.981 23.193 ( -0.000 -0.217 0.000) 0.217 23.883 ( 0.000 0.147 -0.000) 0.147 24.223 ( 0.000 0.731 -0.000) 0.731 25.427 ( 0.000 7.010 -0.000) 7.010 26.018 ( 0.000 7.010 -0.000) 7.010 26.699 ( 0.000 10.663 -0.000) 10.663 26.836 ( 0.000 7.883 -0.000) 7.883 26.911 ( 0.000 2.878 -0.000) 2.878 ======================= Grid point 58 (31/117) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 0.000 -0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 -0.000) 0.000 3.483 ( 0.000 0.000 -0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 4.053 ( -0.000 -0.000 -0.000) 0.000 5.005 ( -0.000 -0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.202 ( -0.000 -0.000 0.000) 0.000 5.217 ( 0.000 0.000 -0.000) 0.000 5.220 ( -0.000 -0.000 -0.000) 0.000 5.706 ( 0.000 0.000 -0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 -0.000) 0.000 6.721 ( 0.000 0.000 -0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.842 ( -0.000 -0.000 -0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.482 ( 0.000 0.000 -0.000) 0.000 7.488 ( -0.000 -0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.693 ( -0.000 -0.000 -0.000) 0.000 7.815 ( -0.000 -0.000 -0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.445 ( -0.000 -0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.704 ( -0.000 -0.000 -0.000) 0.000 8.744 ( -0.000 -0.000 -0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 -0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.238 ( 0.000 0.000 -0.000) 0.000 9.639 ( 0.000 0.000 -0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 -0.000) 0.000 11.162 ( 0.000 0.000 -0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 -0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 12.708 ( 0.000 0.000 -0.000) 0.000 12.971 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 13.569 ( 0.000 0.000 -0.000) 0.000 13.794 ( 0.000 0.000 -0.000) 0.000 14.073 ( 0.000 0.000 -0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 16.378 ( 0.000 0.000 -0.000) 0.000 16.395 ( 0.000 0.000 0.000) 0.000 16.869 ( 0.000 0.000 0.000) 0.000 17.227 ( 0.000 0.000 -0.000) 0.000 17.911 ( 0.000 0.000 -0.000) 0.000 17.967 ( 0.000 0.000 -0.000) 0.000 19.242 ( 0.000 0.000 0.000) 0.000 19.343 ( 0.000 0.000 -0.000) 0.000 21.527 ( 0.000 0.000 0.000) 0.000 21.668 ( 0.000 0.000 0.000) 0.000 21.961 ( 0.000 0.000 0.000) 0.000 22.414 ( 0.000 0.000 0.000) 0.000 23.190 ( 0.000 0.000 -0.000) 0.000 23.888 ( -0.000 -0.000 0.000) 0.000 24.236 ( 0.000 0.000 -0.000) 0.000 25.554 ( 0.000 0.000 -0.000) 0.000 26.143 ( 0.000 0.000 0.000) 0.000 26.925 ( 0.000 0.000 0.000) 0.000 26.934 ( 0.000 0.000 -0.000) 0.000 26.979 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -5.073 -0.000 38.874) 39.203 0.870 ( 9.964 0.000 41.089) 42.280 1.562 ( -16.965 -0.000 70.692) 72.699 2.009 ( -10.071 -0.000 -9.976) 14.175 2.097 ( 8.088 0.000 -16.850) 18.690 2.424 ( 13.118 0.000 2.910) 13.437 2.802 ( 16.378 0.000 -13.484) 21.214 3.123 ( -5.617 -0.000 -5.691) 7.996 3.574 ( 13.675 0.000 12.624) 18.611 3.702 ( 39.139 0.000 6.648) 39.700 3.877 ( 2.739 0.000 6.453) 7.011 3.959 ( -5.882 -0.000 -9.759) 11.394 4.360 ( 0.828 0.000 -25.580) 25.593 4.867 ( -2.958 -0.000 -15.737) 16.012 5.022 ( 3.799 0.000 -4.074) 5.570 5.116 ( 0.504 0.000 -3.819) 3.852 5.312 ( -2.350 -0.000 17.876) 18.030 5.794 ( -8.698 -0.000 -7.982) 11.805 5.944 ( -1.575 -0.000 0.658) 1.707 6.068 ( -6.116 -0.000 3.036) 6.828 6.439 ( -2.137 -0.000 0.888) 2.315 6.445 ( 9.452 0.000 -7.215) 11.891 6.529 ( -3.317 -0.000 -2.494) 4.150 6.795 ( -0.829 -0.000 1.234) 1.486 7.070 ( -3.637 -0.000 0.502) 3.671 7.092 ( -7.039 -0.000 -19.245) 20.492 7.480 ( 19.204 0.000 -5.334) 19.931 7.491 ( 5.409 0.000 -3.470) 6.427 7.882 ( 3.186 0.000 8.378) 8.963 8.143 ( -1.761 -0.000 -1.458) 2.286 8.152 ( 2.024 0.000 21.394) 21.489 8.345 ( -1.841 -0.000 -0.219) 1.854 8.379 ( -5.121 -0.000 4.359) 6.725 8.503 ( 3.808 0.000 -5.779) 6.920 8.635 ( 2.543 0.000 -0.782) 2.661 8.921 ( -2.303 -0.000 -9.577) 9.850 9.056 ( 0.430 0.000 19.409) 19.413 9.081 ( 5.385 0.000 3.837) 6.613 9.220 ( -1.388 -0.000 0.328) 1.426 9.648 ( -1.249 -0.000 -7.863) 7.962 9.708 ( -7.461 -0.000 4.728) 8.832 9.798 ( -6.503 -0.000 0.089) 6.503 9.962 ( 11.362 0.000 19.539) 22.603 11.247 ( -14.581 -0.000 -31.504) 34.715 11.692 ( -0.429 -0.000 4.411) 4.432 11.997 ( -9.051 -0.000 -8.281) 12.268 12.270 ( -9.760 -0.000 18.156) 20.613 12.283 ( 11.379 0.000 5.668) 12.712 12.617 ( -1.049 -0.000 -3.050) 3.225 12.902 ( 2.526 0.000 4.057) 4.779 13.114 ( 1.780 0.000 -11.446) 11.584 13.168 ( -3.451 -0.000 -4.216) 5.448 13.351 ( 6.014 0.000 0.529) 6.037 13.371 ( -3.737 -0.000 -3.485) 5.110 14.200 ( 2.527 0.000 12.925) 13.170 14.471 ( -0.398 -0.000 -1.772) 1.816 14.537 ( -0.429 -0.000 1.224) 1.298 14.737 ( 5.459 0.000 -4.633) 7.160 15.688 ( 1.077 0.000 1.504) 1.850 15.801 ( 0.412 0.000 -2.466) 2.500 16.887 ( 4.750 0.000 3.248) 5.755 17.015 ( -4.127 -0.000 -1.889) 4.539 17.959 ( 0.286 0.000 0.226) 0.365 17.972 ( -0.085 -0.000 -0.290) 0.302 19.212 ( -0.195 -0.000 1.392) 1.406 19.284 ( -1.352 -0.000 -1.390) 1.939 21.493 ( -0.819 -0.000 2.189) 2.337 21.603 ( 0.825 0.000 -2.101) 2.257 22.602 ( -0.869 -0.000 1.629) 1.846 22.688 ( 10.208 0.000 -1.751) 10.357 24.218 ( 4.500 0.000 -0.008) 4.500 24.230 ( -8.873 -0.000 -0.646) 8.896 24.614 (-124.158 -0.000 4.019) 124.223 24.803 ( 17.662 0.000 -3.530) 18.011 26.074 ( -20.589 -0.000 0.914) 20.609 26.113 ( 102.464 0.000 -0.685) 102.467 26.196 ( 2.387 0.000 1.250) 2.695 26.260 ( -1.801 -0.000 -1.209) 2.169 ======================= Grid point 106 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 2.893 10.415 25.669) 27.852 1.367 ( 23.297 -16.320 25.794) 38.398 1.791 ( 4.210 11.531 -3.900) 12.880 2.027 ( 13.772 5.203 -4.043) 15.267 2.084 ( 10.745 -32.527 38.948) 51.869 2.632 ( 9.146 -7.547 -4.413) 12.652 2.905 ( 11.981 0.661 -9.330) 15.200 3.178 ( 0.529 -6.892 -2.985) 7.529 3.592 ( 6.146 6.777 -0.946) 9.198 3.779 ( 6.822 8.011 3.575) 11.113 3.901 ( -1.794 -10.387 10.939) 15.191 4.200 ( 24.398 4.606 -6.449) 25.653 4.490 ( 7.883 -14.502 -18.670) 24.920 4.786 ( 3.188 4.861 -21.679) 22.445 5.030 ( 3.563 1.456 -0.600) 3.895 5.117 ( -0.094 -0.632 -5.058) 5.098 5.562 ( 4.533 -17.430 8.617) 19.965 5.752 ( -5.560 -5.179 -1.880) 7.828 5.878 ( -1.979 5.555 6.462) 8.748 6.076 ( -5.156 -3.925 2.672) 7.009 6.313 ( -0.006 4.742 1.991) 5.143 6.518 ( -1.926 -0.636 -1.423) 2.478 6.555 ( 6.600 -2.872 -9.394) 11.835 6.783 ( -2.611 1.229 -0.429) 2.917 6.998 ( -1.097 2.260 -14.063) 14.285 7.033 ( -0.029 3.327 0.685) 3.397 7.377 ( -0.294 3.057 1.730) 3.525 7.729 ( 4.663 3.503 -3.155) 6.631 7.935 ( -4.404 2.199 2.519) 5.529 8.041 ( -5.983 1.440 1.232) 6.276 8.155 ( -4.378 5.531 7.009) 9.944 8.293 ( -13.157 -4.642 -3.071) 14.286 8.358 ( 1.717 2.810 6.541) 7.322 8.483 ( 3.685 6.154 -5.817) 9.235 8.653 ( 3.967 -0.405 -3.107) 5.055 8.856 ( -2.810 2.739 -6.618) 7.694 9.027 ( -0.878 6.060 14.226) 15.488 9.136 ( 5.369 5.456 0.296) 7.660 9.259 ( 5.030 -1.213 -0.923) 5.255 9.523 ( 2.198 1.836 -2.733) 3.959 9.800 ( -6.747 -7.284 -3.615) 10.566 9.808 ( 4.536 -5.708 -5.258) 8.989 10.068 ( 4.415 1.853 23.188) 23.678 11.030 ( -14.156 1.240 -20.031) 24.560 11.551 ( -4.288 11.026 7.779) 14.159 11.795 ( -9.828 9.129 -8.818) 16.053 12.133 ( -13.946 2.665 16.938) 22.102 12.451 ( 10.103 -2.320 7.871) 13.016 12.618 ( -5.707 -2.698 -2.267) 6.708 13.002 ( 2.358 -5.659 6.905) 9.234 13.123 ( 0.904 4.442 -6.992) 8.333 13.202 ( 0.241 -3.304 -13.103) 13.515 13.227 ( 0.169 -0.429 0.888) 1.001 13.416 ( 3.426 0.997 -2.987) 4.654 14.165 ( -1.928 8.943 10.835) 14.180 14.294 ( -16.256 12.553 4.847) 21.103 14.407 ( -6.368 3.223 3.474) 7.938 14.543 ( -5.951 -1.735 2.320) 6.618 15.754 ( 8.642 2.115 0.431) 8.907 15.838 ( 6.165 -0.037 -2.219) 6.552 16.946 ( 1.963 -0.816 3.852) 4.400 16.993 ( -2.280 -2.769 -2.848) 4.580 17.815 ( 0.424 12.915 -0.034) 12.922 17.868 ( 0.531 6.645 -2.777) 7.221 19.434 ( 0.662 -26.395 7.420) 27.426 19.883 ( -15.757 -48.089 -25.670) 56.743 21.501 ( -0.425 -1.323 1.945) 2.390 21.619 ( 0.952 -1.362 -1.941) 2.556 22.529 ( -2.250 5.982 6.740) 9.289 22.782 ( -1.257 -3.643 -7.247) 8.208 23.488 ( -50.890 3.875 26.222) 57.379 24.170 ( -12.252 -0.578 2.191) 12.460 24.341 ( 4.370 2.079 7.451) 8.884 25.049 ( 32.916 6.209 5.622) 33.965 25.670 ( -26.250 7.066 -10.624) 29.187 26.090 ( 28.083 20.338 1.492) 34.706 26.309 ( -0.249 -3.288 -1.589) 3.660 26.765 ( 42.354 12.256 -6.873) 44.624 ======================= Grid point 107 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 6.541 -14.750 -10.774) 19.402 1.685 ( 23.102 -1.401 -3.501) 23.408 1.985 ( 16.509 11.368 1.643) 20.112 2.065 ( 10.786 -23.578 24.128) 35.418 2.754 ( 14.513 -11.021 4.126) 18.685 2.960 ( 4.915 -21.553 6.221) 22.964 3.035 ( 9.029 -6.006 -1.380) 10.932 3.389 ( 5.651 -10.001 -13.120) 17.438 3.582 ( 3.445 1.106 -1.836) 4.057 3.785 ( 15.489 -9.302 8.808) 20.100 4.154 ( 5.143 -12.540 8.211) 15.847 4.367 ( 15.441 -2.827 -1.148) 15.739 4.687 ( 0.049 2.858 -10.467) 10.850 4.732 ( 5.670 -4.449 -12.763) 14.657 5.038 ( 2.851 2.257 -2.376) 4.343 5.140 ( 4.531 -0.618 -5.839) 7.417 5.718 ( -7.507 4.256 7.580) 11.485 5.825 ( -6.282 -1.671 -4.021) 7.644 5.899 ( 3.649 -9.563 8.739) 13.459 6.008 ( 0.445 -4.735 10.615) 11.632 6.402 ( 0.612 -0.189 -5.829) 5.864 6.486 ( 6.631 0.125 6.813) 9.508 6.614 ( 4.648 0.161 -9.457) 10.539 6.734 ( 2.644 2.229 -2.392) 4.205 6.881 ( -3.255 6.838 -13.411) 15.401 7.038 ( 4.491 -3.447 -6.539) 8.649 7.333 ( -8.681 -0.369 2.670) 9.090 7.556 ( -4.377 14.658 0.677) 15.312 7.747 ( -8.633 5.461 1.305) 10.298 7.959 ( -10.535 6.001 8.249) 14.665 8.065 ( -3.766 -0.378 1.662) 4.133 8.143 ( -4.787 8.198 -2.457) 9.806 8.311 ( -1.183 5.141 4.580) 6.986 8.389 ( 0.736 5.397 0.667) 5.487 8.676 ( 0.448 0.431 -3.467) 3.522 8.745 ( -4.266 4.829 -5.374) 8.390 8.958 ( 2.618 4.017 9.349) 10.507 9.045 ( -1.462 6.202 2.516) 6.850 9.290 ( 1.617 -0.444 2.286) 2.835 9.585 ( 10.147 1.948 -8.835) 13.595 9.809 ( -9.350 -3.827 0.293) 10.107 9.963 ( 4.797 -5.991 -5.532) 9.461 10.096 ( 0.726 0.853 12.069) 12.121 10.782 ( -14.347 8.363 -9.335) 19.051 11.371 ( -1.734 8.168 9.248) 12.460 11.506 ( -8.894 10.077 -9.996) 16.750 11.966 ( -17.519 1.670 4.382) 18.136 12.454 ( -7.944 5.220 7.307) 11.989 12.621 ( 1.824 -0.370 2.217) 2.895 12.976 ( 2.447 9.798 -1.178) 10.167 13.139 ( 1.455 -5.632 4.233) 7.194 13.219 ( 1.954 -4.054 -2.937) 5.374 13.371 ( -0.072 -8.305 -11.292) 14.017 13.429 ( 4.105 0.780 -0.957) 4.287 13.976 ( -6.430 9.215 3.260) 11.699 14.029 ( -6.070 4.293 -0.363) 7.444 14.319 ( -6.010 1.108 9.418) 11.227 14.581 ( -0.505 -4.168 -1.435) 4.437 15.805 ( 5.631 0.411 2.238) 6.073 15.901 ( 6.897 0.223 -2.013) 7.188 16.944 ( -3.989 -1.181 -1.667) 4.482 17.059 ( 2.633 -3.328 1.923) 4.659 17.643 ( 0.934 7.950 1.524) 8.148 17.774 ( 0.370 4.468 -4.962) 6.687 19.910 ( -1.452 -26.400 8.687) 27.830 20.290 ( -17.684 -28.840 -17.778) 38.217 21.534 ( -0.160 -2.534 1.520) 2.959 21.660 ( 1.251 -2.612 -1.695) 3.356 22.412 ( -4.993 4.711 9.301) 11.560 22.739 ( -9.271 -0.026 -3.798) 10.019 23.254 ( -6.192 -0.013 6.304) 8.836 24.026 ( -17.257 0.214 6.560) 18.463 24.346 ( 5.924 5.321 3.523) 8.707 25.122 ( 9.461 11.846 -3.849) 15.641 25.507 ( 4.406 -4.329 -2.728) 6.753 26.056 ( 22.954 15.615 1.599) 27.807 26.339 ( -1.045 -1.590 -2.795) 3.381 26.870 ( 20.025 9.599 -0.761) 22.220 ======================= Grid point 108 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 6.789 -6.652 -16.943) 19.427 2.022 ( 15.119 3.446 6.075) 16.654 2.110 ( 20.699 -18.953 -2.329) 28.162 2.595 ( 6.293 -22.673 15.879) 28.387 2.983 ( 8.043 -2.139 6.627) 10.639 3.085 ( 4.762 -0.538 1.342) 4.977 3.283 ( -3.801 -7.423 -10.836) 13.674 3.453 ( -0.041 -6.475 -10.765) 12.562 3.755 ( 11.621 -12.761 -5.438) 18.096 4.260 ( 16.672 -13.433 -3.349) 21.671 4.456 ( 7.340 -0.545 -4.252) 8.500 4.559 ( -0.274 -5.657 -1.777) 5.936 4.745 ( 7.465 -15.029 6.973) 18.172 4.839 ( 10.328 -3.565 4.163) 11.692 4.966 ( 5.154 4.794 4.840) 8.542 5.185 ( 3.687 -0.853 -0.043) 3.784 5.538 ( -5.726 9.948 2.453) 11.737 5.707 ( -6.931 -1.735 3.446) 7.933 6.068 ( 2.983 -4.237 -8.198) 9.698 6.242 ( 10.248 -2.789 15.346) 18.663 6.395 ( -2.386 -7.276 4.279) 8.772 6.431 ( 2.477 9.966 -1.950) 10.453 6.608 ( -2.123 6.436 -8.636) 10.978 6.758 ( 4.867 0.804 -4.659) 6.785 6.807 ( 6.455 -0.416 -3.148) 7.194 7.139 ( -6.385 5.430 1.619) 8.537 7.172 ( -1.751 0.027 -3.758) 4.146 7.340 ( -9.018 1.233 -8.336) 12.342 7.603 ( -4.062 3.765 4.049) 6.861 7.747 ( -11.494 8.360 9.161) 16.910 7.812 ( -10.144 8.762 -3.809) 13.935 8.067 ( 4.007 8.659 -0.562) 9.557 8.287 ( 4.066 -2.168 1.435) 4.826 8.337 ( 0.616 2.180 5.946) 6.363 8.569 ( -4.627 4.702 -4.432) 7.947 8.697 ( -0.458 0.224 -4.770) 4.797 8.889 ( -3.191 7.054 3.660) 8.564 9.001 ( 0.168 0.149 6.061) 6.065 9.339 ( 5.039 -0.558 5.915) 7.790 9.588 ( 4.165 4.201 -9.329) 11.046 9.708 ( -11.401 3.106 5.729) 13.132 10.029 ( -0.226 -0.484 0.265) 0.597 10.150 ( 1.381 -3.582 -5.300) 6.544 10.454 ( -13.726 9.913 -5.384) 17.767 11.207 ( -2.682 10.011 3.748) 11.021 11.333 ( -3.480 1.759 -4.230) 5.753 11.714 ( -18.963 5.172 -5.280) 20.352 12.267 ( -7.661 7.137 10.912) 15.123 12.646 ( 1.027 -1.013 3.776) 4.042 12.867 ( 1.092 5.496 -0.546) 5.629 13.236 ( 1.571 -3.368 -0.017) 3.717 13.308 ( 4.067 -2.325 -1.726) 4.993 13.419 ( -3.047 -2.755 -7.546) 8.592 13.473 ( 1.134 -1.424 3.419) 3.874 13.816 ( -1.989 5.057 2.239) 5.878 13.965 ( -0.887 0.394 -2.639) 2.812 14.284 ( -3.891 -1.395 6.962) 8.097 14.629 ( -0.186 -2.311 -4.291) 4.878 15.861 ( 4.306 -0.187 1.186) 4.470 15.970 ( 5.336 -1.481 -0.197) 5.542 16.909 ( -4.486 -0.434 -2.909) 5.364 17.140 ( 2.528 -2.421 2.369) 4.227 17.570 ( 0.552 2.722 2.079) 3.469 17.710 ( 0.682 2.807 -3.661) 4.663 20.272 ( -3.222 -17.747 6.072) 19.032 20.480 ( -11.528 -16.294 -8.870) 21.842 21.583 ( -0.089 -2.988 1.073) 3.176 21.722 ( 1.401 -3.230 -1.118) 3.694 22.317 ( -4.363 2.435 6.568) 8.253 22.607 ( -7.639 4.156 -3.386) 9.333 23.252 ( 2.237 -0.035 -0.780) 2.369 23.855 ( -16.984 0.077 9.277) 19.353 24.311 ( 7.133 6.342 -3.586) 10.197 25.045 ( 1.572 1.651 -5.286) 5.757 25.673 ( 11.711 -2.417 3.874) 12.570 26.041 ( 17.352 11.665 2.399) 21.046 26.336 ( -1.928 -0.950 -4.512) 4.998 26.892 ( 10.095 5.886 0.332) 11.690 ======================= Grid point 109 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 3.227 -2.329 -15.533) 16.034 2.177 ( 12.638 -1.942 7.142) 14.646 2.519 ( 6.814 -8.464 -5.599) 12.224 2.820 ( -1.347 1.817 4.272) 4.834 3.141 ( 1.693 0.431 -4.253) 4.597 3.220 ( 8.495 -17.763 15.582) 25.110 3.343 ( -2.082 -10.259 -13.370) 16.980 3.603 ( 2.011 -12.229 -8.923) 15.271 4.005 ( 9.517 -3.738 -0.571) 10.241 4.386 ( -2.587 2.157 -8.830) 9.451 4.485 ( -9.846 11.338 -0.592) 15.028 4.688 ( 18.468 -10.391 1.366) 21.235 4.730 ( 2.508 6.406 0.168) 6.882 4.822 ( -7.235 -3.428 0.731) 8.039 5.228 ( 0.981 1.811 0.697) 2.174 5.373 ( 2.648 -15.467 12.922) 20.327 5.627 ( 16.633 -0.122 5.747) 17.599 5.641 ( 1.493 -6.287 -4.192) 7.702 6.101 ( 3.160 -0.139 -7.590) 8.223 6.278 ( 3.780 10.833 9.034) 14.603 6.317 ( 2.986 6.266 -6.172) 9.289 6.515 ( 4.103 -7.365 2.693) 8.850 6.587 ( -0.382 -8.097 5.354) 9.714 6.766 ( -2.756 2.941 -0.142) 4.033 6.787 ( 1.424 9.726 -1.452) 9.937 7.032 ( -0.374 -4.266 0.109) 4.284 7.063 ( -9.869 4.991 -0.477) 11.070 7.221 ( -2.429 0.146 1.675) 2.954 7.364 ( -13.374 10.354 6.262) 18.035 7.542 ( -5.794 8.995 5.988) 12.262 7.779 ( -2.703 -1.808 -2.978) 4.410 8.086 ( 11.579 -4.451 -3.638) 12.928 8.344 ( 2.109 -1.244 0.143) 2.453 8.395 ( 4.104 -2.443 2.443) 5.365 8.492 ( 1.352 2.029 -2.010) 3.160 8.620 ( -5.823 4.857 -4.701) 8.922 8.726 ( -3.661 4.285 -1.249) 5.773 8.974 ( -2.660 2.578 4.411) 5.760 9.381 ( 0.282 6.560 -4.438) 7.925 9.505 ( -2.800 5.342 4.234) 7.369 9.587 ( -0.308 -2.634 -0.994) 2.833 9.992 ( -4.053 1.026 -7.039) 8.187 10.179 ( -0.124 0.047 -1.190) 1.197 10.232 ( -6.597 2.119 -3.339) 7.691 11.073 ( -1.131 4.261 2.896) 5.274 11.279 ( -2.281 0.899 -1.849) 3.071 11.440 ( -12.393 5.490 -6.862) 15.193 12.135 ( -1.262 5.203 10.015) 11.356 12.700 ( -1.076 -3.866 5.548) 6.848 12.814 ( 0.930 1.810 2.288) 3.062 13.261 ( -0.695 0.676 -3.755) 3.879 13.351 ( 0.344 -0.584 -3.170) 3.242 13.425 ( 0.816 -1.316 -3.133) 3.495 13.508 ( -0.795 -2.048 5.795) 6.198 13.747 ( 0.772 4.249 3.858) 5.791 13.955 ( -0.456 -0.124 -1.083) 1.182 14.310 ( -0.703 -2.995 1.481) 3.415 14.633 ( -0.890 -0.118 -6.751) 6.810 15.894 ( 2.469 0.473 -0.555) 2.574 16.053 ( 2.945 -2.584 1.988) 4.394 16.863 ( -3.302 0.138 -3.272) 4.651 17.195 ( 1.759 -0.981 2.097) 2.907 17.551 ( 0.092 0.789 0.576) 0.981 17.685 ( 0.868 0.625 -0.562) 1.208 20.443 ( -5.066 -7.439 -1.629) 9.146 20.601 ( -2.723 -8.429 0.878) 8.901 21.629 ( 0.012 -2.095 0.571) 2.172 21.782 ( 0.797 -2.343 0.006) 2.475 22.274 ( -1.714 -0.150 2.488) 3.025 22.450 ( -5.131 5.357 -2.641) 7.874 23.279 ( 3.983 0.307 -2.426) 4.674 23.730 ( -13.697 -1.913 10.341) 17.268 24.278 ( 7.941 5.664 -7.193) 12.119 25.057 ( -0.340 -2.210 -1.585) 2.741 25.814 ( 5.952 -2.585 3.773) 7.507 26.025 ( 11.483 8.858 3.482) 14.914 26.321 ( -2.603 -1.288 -5.683) 6.382 26.892 ( 4.385 2.899 0.394) 5.271 ======================= Grid point 110 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -2.559 -5.431 -14.790) 15.962 2.314 ( 8.205 2.615 9.800) 13.046 2.532 ( 0.682 2.929 -6.521) 7.181 2.756 ( -9.106 2.311 1.552) 9.522 3.103 ( -7.505 -1.928 -13.782) 15.811 3.342 ( 0.204 3.856 -2.586) 4.647 3.515 ( -2.714 -3.401 7.693) 8.838 4.001 ( 13.069 -24.321 -4.907) 28.043 4.078 ( 1.368 13.275 0.052) 13.345 4.125 ( -0.189 7.303 -1.674) 7.495 4.307 ( -6.267 1.136 -4.798) 7.974 4.703 ( 2.286 2.236 4.002) 5.122 4.774 ( -2.418 -6.204 1.518) 6.829 5.038 ( 3.214 -6.739 10.032) 12.506 5.206 ( -2.433 -1.393 -6.930) 7.476 5.344 ( -2.194 6.020 -1.390) 6.556 5.674 ( 5.222 13.852 -5.409) 15.761 5.955 ( 0.328 -6.027 1.008) 6.119 6.018 ( -2.654 11.989 5.158) 13.319 6.097 ( 0.045 -7.200 -0.729) 7.237 6.331 ( -0.123 -7.590 -1.593) 7.756 6.602 ( -14.015 2.350 0.848) 14.236 6.635 ( 0.470 6.982 -0.950) 7.062 6.681 ( 3.541 -5.440 0.920) 6.556 6.848 ( 11.107 4.266 0.200) 11.900 6.982 ( -0.050 0.288 6.417) 6.424 7.034 ( 3.513 -8.187 2.588) 9.277 7.216 ( -1.298 -0.377 5.071) 5.248 7.344 ( -0.111 -8.763 14.753) 17.160 7.388 ( -1.150 3.861 1.397) 4.263 7.797 ( 0.874 -5.168 -1.442) 5.436 8.040 ( -8.730 10.624 5.438) 14.787 8.346 ( -1.667 3.206 0.316) 3.627 8.430 ( 0.719 0.920 -5.640) 5.759 8.478 ( 1.239 -0.582 -4.408) 4.616 8.679 ( 3.682 -3.668 -1.640) 5.450 8.693 ( 2.878 -4.636 -4.785) 7.257 8.933 ( 1.350 1.341 2.570) 3.198 9.105 ( -6.279 8.905 -13.670) 17.481 9.529 ( 6.407 -0.818 5.248) 8.322 9.668 ( 0.291 -3.715 -0.196) 3.731 9.952 ( -0.666 -3.222 -7.432) 8.128 10.150 ( 0.883 2.130 -1.023) 2.522 10.197 ( -2.635 -1.180 -0.971) 3.046 11.034 ( -0.920 0.686 3.526) 3.708 11.264 ( 0.113 -1.321 -0.874) 1.588 11.279 ( -1.682 2.893 -6.449) 7.266 12.112 ( 5.274 1.973 7.429) 9.322 12.733 ( -1.586 -0.883 3.328) 3.791 12.861 ( -0.670 -5.206 9.363) 10.734 13.212 ( -3.551 0.672 -6.491) 7.429 13.337 ( -0.506 1.208 -2.613) 2.923 13.455 ( 3.038 -0.157 -2.213) 3.762 13.548 ( -1.382 -2.501 5.261) 5.987 13.688 ( 1.342 4.728 3.520) 6.045 13.957 ( 0.686 -0.049 1.282) 1.455 14.349 ( 0.692 -0.869 -0.920) 1.443 14.598 ( -1.029 1.045 -8.139) 8.270 15.893 ( -0.172 0.879 -0.740) 1.162 16.105 ( -0.057 -1.016 2.377) 2.586 16.833 ( -1.207 -0.185 -3.259) 3.480 17.220 ( 0.960 0.029 1.875) 2.106 17.537 ( -0.196 0.825 -0.398) 0.936 17.700 ( 0.472 -1.251 0.953) 1.642 20.443 ( -2.842 1.191 -3.058) 4.341 20.693 ( 3.189 -1.371 2.714) 4.406 21.645 ( -0.154 0.254 0.289) 0.414 21.807 ( -0.238 -0.149 0.837) 0.882 22.276 ( -0.391 0.943 -1.370) 1.708 22.360 ( 0.245 -0.443 -0.193) 0.542 23.314 ( 5.291 0.433 -3.508) 6.363 23.672 ( -10.976 -3.645 11.468) 16.287 24.255 ( 7.898 5.282 -8.015) 12.431 25.088 ( -2.752 -3.322 -0.451) 4.338 25.898 ( -1.355 -4.130 3.160) 5.374 25.992 ( 5.450 6.434 4.376) 9.500 26.303 ( -3.729 -1.778 -6.229) 7.474 26.889 ( 0.292 0.398 0.359) 0.610 ======================= Grid point 111 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -10.378 -9.349 -16.055) 21.281 2.257 ( 1.187 10.925 13.865) 17.692 2.464 ( -7.045 15.298 -6.432) 18.028 2.542 ( -8.508 1.814 -0.748) 8.732 2.976 ( -12.347 1.876 -3.669) 13.017 3.201 ( -0.758 6.283 -5.378) 8.305 3.450 ( -11.054 6.000 4.777) 13.454 3.855 ( 7.073 9.344 -4.111) 12.419 4.065 ( -0.963 6.487 0.187) 6.561 4.164 ( -2.396 5.873 -8.260) 10.414 4.479 ( 2.868 -17.031 -1.218) 17.313 4.686 ( -6.121 0.622 1.739) 6.394 4.851 ( -8.785 1.322 -5.626) 10.515 5.000 ( -6.846 13.786 1.218) 15.440 5.142 ( 1.978 -8.834 9.126) 12.855 5.386 ( 4.011 -4.390 -0.687) 5.986 5.497 ( 0.364 4.809 6.430) 8.038 5.721 ( -6.374 7.287 -3.913) 10.442 5.813 ( -5.105 12.971 4.213) 14.562 6.166 ( -14.886 9.444 -2.932) 17.871 6.468 ( -5.194 -0.035 -1.373) 5.372 6.483 ( 0.838 -14.140 6.735) 15.685 6.634 ( 1.966 -0.608 -2.051) 2.906 6.763 ( 7.402 3.320 -1.055) 8.180 6.883 ( -0.921 -8.724 4.052) 9.663 7.067 ( 5.526 -8.223 -0.295) 9.911 7.228 ( 0.948 -0.592 -4.807) 4.935 7.351 ( 10.177 -8.430 9.363) 16.196 7.383 ( 7.052 -2.337 6.002) 9.551 7.492 ( 2.882 -5.964 8.640) 10.887 7.848 ( -1.527 4.387 -9.039) 10.163 7.944 ( 2.221 -7.092 -0.471) 7.447 8.225 ( -10.209 7.048 -8.176) 14.858 8.332 ( 0.351 -1.378 3.513) 3.790 8.531 ( -0.559 -3.283 -0.372) 3.351 8.670 ( -4.283 3.057 -4.399) 6.859 8.781 ( 1.616 -0.559 4.726) 5.026 8.948 ( 3.594 -6.243 1.249) 7.311 9.072 ( 4.948 0.326 -1.262) 5.117 9.624 ( 6.231 0.539 0.811) 6.306 9.741 ( -2.415 -7.547 -3.161) 8.532 10.084 ( 8.734 -8.090 -5.732) 13.213 10.121 ( 2.260 3.567 0.071) 4.223 10.181 ( -0.612 -0.157 -3.114) 3.177 11.028 ( -1.644 -1.459 2.029) 2.992 11.288 ( 5.801 -2.867 -5.054) 8.210 11.368 ( 9.962 -5.696 -0.728) 11.499 12.196 ( 9.147 -1.001 6.290) 11.147 12.735 ( -1.999 -0.883 3.633) 4.240 12.961 ( -3.337 -6.023 11.507) 13.410 13.153 ( -5.927 -1.222 -8.341) 10.305 13.299 ( 0.885 3.058 -0.870) 3.300 13.474 ( 3.390 1.165 -6.457) 7.385 13.570 ( -0.477 -0.002 3.790) 3.820 13.655 ( 1.782 0.984 3.702) 4.225 13.972 ( 1.614 0.255 2.316) 2.834 14.332 ( 0.465 3.627 0.866) 3.758 14.561 ( 0.226 0.845 -7.795) 7.844 15.862 ( -2.764 0.873 -0.102) 2.900 16.092 ( -3.025 0.943 1.576) 3.539 16.831 ( 0.668 -0.366 -2.927) 3.025 17.222 ( 0.174 0.916 1.768) 1.999 17.527 ( -0.455 -0.330 0.381) 0.679 17.731 ( -0.035 -1.955 -0.411) 1.999 20.342 ( 0.447 9.105 -0.800) 9.151 20.714 ( 8.303 6.402 -0.012) 10.484 21.621 ( -0.251 2.211 0.645) 2.317 21.782 ( -1.052 2.476 -0.032) 2.690 22.253 ( 0.834 0.378 2.376) 2.546 22.445 ( 4.720 -4.722 -2.443) 7.109 23.369 ( 8.019 -0.193 -5.399) 9.670 23.668 ( -8.737 -5.402 13.562) 17.013 24.233 ( 7.477 5.086 -7.344) 11.650 25.098 ( -5.766 -3.101 -1.869) 6.809 25.934 ( 3.870 4.963 9.781) 11.631 25.954 ( -11.674 -7.986 -1.256) 14.200 26.276 ( -6.225 -2.534 -6.838) 9.588 26.884 ( -3.394 -1.367 0.408) 3.682 ======================= Grid point 112 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -18.917 -10.487 -18.985) 28.779 1.923 ( -12.351 28.044 -2.107) 30.715 2.070 ( -4.624 13.732 19.471) 24.271 2.408 ( -11.161 5.678 4.719) 13.382 2.860 ( -6.097 1.373 -7.987) 10.142 3.143 ( 3.565 2.451 -1.806) 4.688 3.160 ( -18.523 5.447 -1.076) 19.337 3.766 ( -1.860 15.310 -2.538) 15.630 3.874 ( -12.280 8.524 9.498) 17.710 4.023 ( -7.220 4.947 -16.758) 18.906 4.251 ( -18.729 13.395 0.833) 23.041 4.545 ( -11.345 14.663 5.630) 19.375 4.794 ( 2.041 -6.647 2.556) 7.408 4.874 ( -0.918 2.735 -10.802) 11.181 5.215 ( -6.163 4.007 -7.091) 10.214 5.386 ( -6.818 4.540 17.947) 19.728 5.553 ( -9.015 -1.506 3.853) 9.919 5.610 ( 11.364 -6.726 5.986) 14.499 5.701 ( 11.523 -1.649 0.194) 11.642 6.084 ( -0.808 1.354 -7.576) 7.738 6.250 ( -5.200 5.771 2.528) 8.169 6.625 ( -6.094 6.077 7.413) 11.359 6.667 ( -4.554 -6.126 -2.986) 8.196 6.778 ( -4.249 -7.599 0.974) 8.761 7.019 ( 7.094 -8.459 -6.202) 12.663 7.192 ( 2.313 2.322 -13.438) 13.832 7.304 ( 9.429 -4.638 -2.744) 10.860 7.554 ( -5.483 1.568 -2.203) 6.113 7.585 ( 11.083 -5.020 2.742) 12.472 7.650 ( 9.100 -11.718 9.141) 17.427 7.815 ( 8.778 -4.409 -4.937) 10.994 8.060 ( -6.407 -6.027 -0.261) 8.800 8.111 ( 1.750 -2.005 3.166) 4.136 8.385 ( 0.184 -1.533 6.317) 6.503 8.576 ( 0.948 -1.072 -4.768) 4.978 8.614 ( -2.556 -6.546 2.339) 7.406 8.802 ( 2.619 0.337 4.718) 5.407 9.077 ( 3.112 1.080 4.521) 5.593 9.146 ( 0.146 -7.494 -0.490) 7.511 9.671 ( 7.624 1.457 1.355) 7.879 9.774 ( -12.350 -6.478 -7.110) 15.653 10.058 ( 1.133 7.714 -5.377) 9.471 10.095 ( 2.600 4.642 3.512) 6.375 10.439 ( 15.327 -13.688 -1.957) 20.642 11.100 ( 2.517 -7.327 0.202) 7.749 11.443 ( 7.108 -8.080 -3.001) 11.172 11.651 ( 18.673 -9.199 -3.116) 21.048 12.334 ( 9.435 -1.983 7.272) 12.076 12.731 ( -4.222 -1.252 4.914) 6.598 13.015 ( -3.775 -2.204 9.527) 10.481 13.097 ( -8.639 -2.761 -9.093) 12.842 13.250 ( 1.949 4.225 0.697) 4.705 13.462 ( 5.411 3.429 -12.683) 14.209 13.560 ( -2.594 0.207 3.051) 4.010 13.715 ( 5.706 -2.514 2.559) 6.740 13.989 ( 1.033 -0.668 1.886) 2.251 14.263 ( 1.740 5.726 5.843) 8.364 14.543 ( 1.813 1.303 -5.072) 5.542 15.814 ( -4.586 0.111 0.714) 4.643 16.028 ( -5.255 1.516 0.241) 5.474 16.841 ( 1.759 0.276 -2.028) 2.699 17.197 ( -0.887 1.992 1.517) 2.656 17.550 ( -0.921 -3.481 1.208) 3.798 17.764 ( 0.012 -2.625 -2.868) 3.888 20.137 ( 2.500 17.754 2.225) 18.067 20.641 ( 14.123 15.901 -5.325) 21.924 21.579 ( -0.222 2.631 1.391) 2.985 21.714 ( -1.063 3.633 -1.317) 4.008 22.295 ( 2.292 -2.086 6.920) 7.582 22.568 ( 5.545 -3.659 -3.378) 7.453 23.482 ( 13.613 -2.219 -8.292) 16.094 23.737 ( -5.274 -8.736 18.461) 21.094 24.213 ( 7.264 4.757 -5.735) 10.406 25.055 ( -9.495 -1.683 -4.471) 10.629 25.883 ( -4.190 1.384 4.839) 6.549 25.996 ( -13.202 -11.175 3.890) 17.728 26.234 ( -10.560 -4.449 -7.606) 13.754 26.858 ( -7.434 -1.773 0.472) 7.657 ======================= Grid point 113 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -16.101 -8.303 -22.018) 28.513 1.365 ( -12.834 20.352 9.876) 26.009 1.774 ( -17.202 13.514 20.242) 29.804 2.236 ( -4.879 3.216 8.085) 9.976 2.694 ( -20.174 -1.894 -19.005) 27.781 2.929 ( -19.553 13.199 -0.745) 23.602 3.050 ( -14.835 20.131 21.945) 33.271 3.268 ( -0.464 6.580 10.181) 12.131 3.585 ( -14.376 11.535 -3.413) 18.745 3.713 ( -12.660 8.420 -6.174) 16.411 4.133 ( 2.771 5.008 -2.683) 6.322 4.252 ( -6.489 6.419 -5.037) 10.425 4.717 ( -2.338 12.215 -12.924) 17.936 4.887 ( -1.801 -3.304 0.303) 3.775 5.009 ( -5.609 4.511 -5.605) 9.123 5.275 ( -6.010 2.920 7.494) 10.040 5.617 ( -2.673 -4.743 4.004) 6.758 5.781 ( 5.899 3.130 0.904) 6.738 5.935 ( 13.203 -6.803 -1.611) 14.939 5.948 ( 4.957 1.685 10.001) 11.289 6.232 ( -9.188 1.039 -3.818) 10.004 6.420 ( -2.231 5.585 -1.203) 6.133 6.682 ( -7.097 -4.222 -2.337) 8.582 6.894 ( -5.380 -8.273 2.972) 10.306 7.110 ( 3.036 0.601 -19.225) 19.473 7.187 ( 0.944 0.403 -12.552) 12.594 7.395 ( 6.859 1.892 2.217) 7.452 7.502 ( -3.883 -4.607 0.008) 6.026 7.792 ( 8.856 -4.504 -1.452) 10.041 7.867 ( 5.525 -5.213 17.407) 18.993 8.049 ( 15.194 -6.688 -3.537) 16.973 8.063 ( -5.300 -4.619 -0.645) 7.060 8.244 ( 5.010 -4.977 7.430) 10.251 8.431 ( -0.735 -3.683 4.619) 5.953 8.623 ( 0.211 -2.099 -1.540) 2.612 8.757 ( 4.865 -7.371 -3.908) 9.658 8.876 ( 4.515 -3.733 5.040) 7.728 9.071 ( -1.296 0.259 2.606) 2.921 9.217 ( -3.938 -3.813 2.351) 5.965 9.690 ( -6.451 -1.293 -13.352) 14.885 9.740 ( -0.739 -1.150 4.177) 4.395 9.898 ( 1.141 9.757 -5.811) 11.413 10.068 ( 2.443 3.955 6.617) 8.087 10.831 ( 13.830 -15.331 0.240) 20.648 11.321 ( 5.946 -12.860 -0.220) 14.170 11.677 ( 5.999 -11.941 -3.037) 13.704 11.954 ( 15.142 -4.218 0.191) 15.720 12.456 ( 5.409 0.204 7.845) 9.531 12.703 ( -4.634 -0.127 5.873) 7.482 12.990 ( 0.557 4.196 4.445) 6.138 13.052 ( -9.034 -5.916 -4.215) 11.592 13.219 ( 1.243 1.585 -0.773) 2.158 13.406 ( 5.204 7.259 -17.987) 20.083 13.515 ( -5.137 0.832 -0.267) 5.211 13.838 ( 7.465 -2.890 6.554) 10.345 14.079 ( 5.357 -7.907 0.387) 9.559 14.228 ( 5.704 4.488 10.930) 13.120 14.535 ( 3.035 1.992 -1.314) 3.861 15.773 ( -5.723 -1.374 1.172) 6.001 15.942 ( -6.710 1.257 -1.051) 6.907 16.848 ( 2.255 1.030 -0.553) 2.540 17.144 ( -2.240 2.587 0.831) 3.522 17.640 ( -1.338 -8.751 1.085) 8.919 17.811 ( 0.359 -3.581 -4.760) 5.967 19.805 ( 2.553 25.824 4.907) 26.410 20.436 ( 20.596 28.892 -14.958) 38.506 21.538 ( -0.525 2.137 2.132) 3.064 21.648 ( -0.224 2.849 -2.093) 3.543 22.384 ( 2.637 -3.389 10.408) 11.259 22.650 ( 5.088 -0.155 -3.026) 5.922 23.701 ( 21.054 -4.591 -9.379) 23.501 23.966 ( 2.784 -17.132 28.988) 33.787 24.207 ( 8.529 4.430 -3.244) 10.144 24.947 ( -11.629 -0.028 -5.350) 12.801 25.810 ( -22.883 -8.114 -4.761) 24.741 26.067 ( -7.411 -8.558 7.244) 13.440 26.187 ( -15.871 -8.204 -7.136) 19.238 26.775 ( -12.291 0.397 0.161) 12.298 ======================= Grid point 114 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -20.587 5.528 18.181) 28.017 1.091 ( -16.701 15.011 25.333) 33.853 1.683 ( -4.918 -25.828 -5.463) 26.854 2.088 ( -31.207 35.268 50.184) 68.819 2.160 ( -7.394 3.531 -3.351) 8.852 2.522 ( -12.432 -0.073 -6.102) 13.849 2.809 ( -1.547 10.580 -8.445) 13.625 3.305 ( -7.775 2.871 -2.507) 8.659 3.355 ( 2.690 1.262 12.278) 12.633 3.508 ( 2.872 4.232 -2.868) 5.864 3.952 ( -6.810 7.842 10.278) 14.612 4.147 ( -3.631 4.832 -15.194) 16.352 4.478 ( 0.027 8.855 -20.005) 21.878 4.883 ( -5.634 -4.127 -7.507) 10.254 4.969 ( 1.192 -0.112 2.380) 2.664 5.183 ( -3.641 3.049 -0.600) 4.787 5.471 ( 0.992 14.117 3.184) 14.506 5.893 ( -2.168 -6.795 1.975) 7.401 5.950 ( -5.810 4.632 -2.120) 7.727 6.064 ( -0.738 -2.730 2.703) 3.912 6.230 ( 8.854 -8.659 6.110) 13.810 6.389 ( 9.573 3.953 -9.480) 14.041 6.651 ( -7.432 -0.650 -5.222) 9.106 6.888 ( -8.003 2.005 2.056) 8.503 7.100 ( -3.737 -2.273 -5.314) 6.882 7.152 ( -3.101 -2.718 -13.722) 14.328 7.355 ( 0.220 4.295 -0.725) 4.362 7.580 ( 8.743 2.551 -4.766) 10.279 7.859 ( 4.452 2.302 3.815) 6.298 8.045 ( 5.161 -3.645 19.184) 20.198 8.133 ( 1.327 -3.882 -4.090) 5.793 8.303 ( 13.553 -4.257 -6.170) 15.488 8.350 ( 1.477 -2.387 4.044) 4.923 8.470 ( -1.950 -1.012 2.666) 3.454 8.612 ( 0.948 1.090 -3.981) 4.235 8.898 ( 3.432 -4.549 -7.448) 9.378 8.980 ( -0.584 -3.927 12.456) 13.073 9.080 ( -3.619 -1.977 3.089) 5.152 9.230 ( -3.481 -1.993 2.196) 4.573 9.634 ( -5.840 -3.533 -7.800) 10.365 9.752 ( -1.016 0.118 1.753) 2.030 9.801 ( 7.475 3.417 -1.218) 8.308 9.993 ( -2.864 7.327 7.854) 11.116 11.209 ( 7.057 -15.241 -11.385) 20.291 11.581 ( -0.017 -12.107 -3.908) 12.722 11.920 ( 1.311 -12.479 -5.259) 13.605 12.120 ( 11.594 -1.272 13.601) 17.917 12.386 ( -8.423 6.255 10.246) 14.665 12.674 ( 0.515 3.235 -1.840) 3.758 12.936 ( 2.238 5.123 4.268) 7.034 13.148 ( -2.865 -11.775 3.960) 12.749 13.196 ( 4.019 3.348 -8.949) 10.366 13.256 ( -0.644 7.830 -12.835) 15.048 13.443 ( -3.807 1.133 -3.430) 5.248 14.052 ( 9.875 -9.486 13.831) 19.463 14.281 ( 13.579 -3.459 15.849) 21.156 14.349 ( 10.500 -8.632 -1.222) 13.647 14.536 ( 4.318 1.973 1.894) 5.111 15.741 ( -8.014 -2.421 0.652) 8.397 15.850 ( -6.165 1.079 -2.096) 6.601 16.855 ( 2.952 1.136 1.164) 3.371 17.075 ( -3.482 1.983 -0.262) 4.015 17.821 ( -0.911 -13.303 -0.015) 13.334 17.876 ( -0.012 -5.397 -3.323) 6.338 19.385 ( 1.292 25.373 5.955) 26.094 19.974 ( 19.508 49.661 -26.713) 59.669 21.507 ( -0.818 1.170 2.365) 2.763 21.611 ( 0.570 1.404 -2.257) 2.719 22.501 ( 3.095 -4.938 9.484) 11.131 22.670 ( 6.028 3.706 -2.194) 7.408 24.010 ( 24.229 -4.521 -5.341) 25.219 24.212 ( 3.645 0.367 -0.699) 3.730 24.599 ( 23.746 -28.933 26.367) 45.784 24.872 ( 6.834 -6.939 13.398) 16.564 25.574 ( -70.843 -18.508 -21.594) 76.338 26.126 ( 0.709 -0.025 5.014) 5.064 26.180 ( -12.463 -10.161 -2.282) 16.241 26.565 ( -15.930 8.121 -0.726) 17.895 ======================= Grid point 116 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 15.901 0.000 21.062) 26.390 1.464 ( 7.262 0.000 37.824) 38.514 1.958 ( 40.514 0.000 21.996) 46.099 2.038 ( 17.352 0.000 -0.259) 17.354 2.138 ( 8.234 0.000 -16.185) 18.160 2.804 ( 23.695 0.000 -7.720) 24.921 3.014 ( 9.703 0.000 1.454) 9.811 3.115 ( 4.777 0.000 0.332) 4.789 3.775 ( 9.354 0.000 0.445) 9.364 3.791 ( -5.873 -0.000 -19.327) 20.199 3.841 ( 0.051 0.000 14.768) 14.768 4.333 ( 3.841 0.000 -21.112) 21.459 4.710 ( 27.851 0.000 -1.952) 27.919 4.833 ( 8.702 0.000 -23.568) 25.124 5.093 ( 5.662 0.000 -8.045) 9.838 5.107 ( 0.088 0.000 -3.326) 3.327 5.395 ( 1.931 0.000 20.780) 20.870 5.696 ( 3.753 0.000 -7.812) 8.667 5.933 ( 0.458 0.000 6.926) 6.942 5.958 ( -6.879 -0.000 -2.979) 7.496 6.358 ( -0.490 -0.000 3.019) 3.058 6.477 ( -2.635 -0.000 -1.213) 2.900 6.539 ( 3.484 0.000 -3.705) 5.086 6.764 ( -3.507 -0.000 -16.075) 16.453 7.062 ( 7.359 0.000 -0.249) 7.363 7.086 ( 4.225 0.000 0.309) 4.237 7.568 ( 2.240 0.000 -5.224) 5.684 7.601 ( -6.809 -0.000 -7.031) 9.787 7.933 ( -0.476 -0.000 7.943) 7.957 7.958 ( -14.929 -0.000 2.504) 15.138 8.004 ( -15.785 -0.000 3.416) 16.151 8.213 ( -5.796 -0.000 -3.173) 6.608 8.433 ( 0.798 0.000 10.613) 10.643 8.547 ( 1.152 0.000 -7.699) 7.785 8.693 ( 5.075 0.000 -1.627) 5.329 8.827 ( -3.894 -0.000 -7.574) 8.517 9.075 ( -6.619 -0.000 16.371) 17.659 9.262 ( 4.376 0.000 -0.137) 4.379 9.320 ( 2.531 0.000 -10.102) 10.414 9.571 ( 4.990 0.000 -5.501) 7.427 9.600 ( -5.185 -0.000 8.161) 9.669 9.781 ( 2.663 0.000 -4.953) 5.624 10.226 ( 5.547 0.000 23.902) 24.537 10.823 ( -11.851 -0.000 -20.549) 23.722 11.545 ( -17.731 -0.000 12.626) 21.767 11.700 ( -16.007 -0.000 -6.226) 17.175 12.151 ( -4.195 -0.000 7.487) 8.582 12.481 ( 4.657 0.000 4.863) 6.733 12.545 ( -7.951 -0.000 3.960) 8.883 12.988 ( 1.253 0.000 8.926) 9.014 13.094 ( 2.522 0.000 -17.191) 17.375 13.134 ( 1.390 0.000 -5.055) 5.242 13.301 ( -1.395 -0.000 -2.555) 2.911 13.476 ( 6.203 0.000 -0.475) 6.221 14.153 ( -28.509 -0.000 16.962) 33.174 14.203 ( -16.236 -0.000 9.534) 18.828 14.348 ( -4.580 -0.000 2.650) 5.291 14.430 ( -4.892 -0.000 -2.284) 5.399 15.910 ( 9.883 0.000 -3.961) 10.647 15.928 ( 9.898 0.000 -1.323) 9.986 16.918 ( -3.728 -0.000 -5.171) 6.375 16.988 ( 3.753 0.000 5.605) 6.746 17.956 ( -0.254 -0.000 0.272) 0.372 17.975 ( 0.413 0.000 -0.675) 0.791 19.204 ( -1.874 -0.000 4.331) 4.719 19.219 ( 0.342 0.000 0.869) 0.934 21.491 ( -0.090 -0.000 1.805) 1.807 21.613 ( 0.884 0.000 -1.813) 2.017 22.604 ( 0.563 0.000 0.142) 0.580 22.610 ( -17.800 -0.000 13.766) 22.502 23.252 ( -7.620 -0.000 6.929) 10.299 24.027 ( -15.349 -0.000 2.900) 15.620 24.418 ( 4.450 0.000 10.522) 11.424 25.420 ( -19.172 -0.000 -13.204) 23.279 25.505 ( 27.341 0.000 16.837) 32.109 26.202 ( 0.046 0.000 -5.747) 5.747 26.440 ( 11.933 0.000 -2.548) 12.202 27.374 ( 28.622 0.000 -30.675) 41.955 ======================= Grid point 117 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 19.724 17.277 0.157) 26.221 1.854 ( 10.227 -20.183 24.614) 33.433 2.013 ( 17.270 11.995 3.161) 21.263 2.328 ( 20.312 -2.556 -6.360) 21.438 2.678 ( 29.437 -19.665 5.394) 35.810 3.022 ( 22.641 9.593 0.859) 24.605 3.140 ( 7.919 2.870 11.072) 13.912 3.211 ( 11.405 -14.326 -13.260) 22.608 3.654 ( -5.719 6.991 -13.631) 16.352 3.807 ( 14.265 -2.236 -3.825) 14.938 3.999 ( 9.062 -10.617 12.197) 18.537 4.461 ( 0.382 -10.123 -10.774) 14.788 4.696 ( 11.156 11.304 2.616) 16.096 4.966 ( 19.985 4.905 -4.491) 21.062 5.105 ( 3.809 1.006 -2.126) 4.477 5.174 ( 9.310 -1.586 -10.781) 14.333 5.587 ( -6.563 -12.751 11.953) 18.669 5.732 ( 2.286 -0.139 -4.571) 5.113 5.830 ( -12.473 3.716 -2.117) 13.186 6.018 ( 11.163 -4.863 11.834) 16.979 6.394 ( 2.009 0.716 -6.422) 6.767 6.499 ( 3.715 -6.558 -4.594) 8.827 6.584 ( 2.176 -2.004 -4.655) 5.516 6.717 ( -0.110 -1.900 -10.295) 10.470 7.034 ( 3.556 9.138 -4.821) 10.927 7.128 ( 6.249 3.704 3.072) 7.888 7.287 ( -8.769 6.877 -0.112) 11.144 7.668 ( -17.159 11.319 0.686) 20.567 7.710 ( -7.565 -3.322 0.040) 8.262 7.929 ( -8.687 -1.408 5.329) 10.288 7.938 ( -11.152 -1.485 2.246) 11.473 8.155 ( 2.994 0.089 -1.529) 3.363 8.405 ( -2.239 3.967 5.526) 7.161 8.479 ( -1.148 5.447 -5.386) 7.746 8.708 ( -1.550 3.423 -5.710) 6.836 8.757 ( -1.640 1.801 -2.579) 3.547 9.000 ( -7.230 0.807 12.121) 14.137 9.160 ( -4.699 9.411 1.131) 10.579 9.312 ( 3.930 -0.735 1.923) 4.437 9.613 ( -1.804 -2.527 -5.709) 6.499 9.649 ( -3.847 -4.341 0.476) 5.820 9.880 ( 5.199 -7.125 -10.350) 13.599 10.228 ( 2.552 7.406 18.574) 20.159 10.704 ( -11.006 1.138 -11.551) 15.995 11.367 ( -14.822 0.425 11.300) 18.643 11.495 ( -15.258 3.122 -6.264) 16.787 11.963 ( -7.730 13.233 3.772) 15.783 12.417 ( -12.316 2.456 4.592) 13.372 12.617 ( 2.448 -5.539 3.370) 6.931 13.019 ( -5.393 -5.400 2.155) 7.930 13.111 ( -1.634 3.222 -10.136) 10.761 13.173 ( 3.384 -4.347 -0.785) 5.564 13.262 ( 2.239 -0.366 -2.172) 3.141 13.516 ( 6.045 2.450 -1.842) 6.778 13.937 ( -13.576 1.767 1.930) 13.826 14.020 ( -12.078 0.801 8.865) 15.003 14.291 ( -5.123 2.316 6.448) 8.555 14.464 ( -2.589 -6.619 -1.639) 7.294 15.940 ( 8.440 4.880 0.366) 9.756 16.007 ( 9.118 2.085 -1.600) 9.489 16.881 ( -3.206 -0.813 -4.901) 5.912 17.054 ( 3.663 -1.742 4.746) 6.243 17.834 ( 1.237 11.731 -0.247) 11.799 17.877 ( 0.929 7.841 -1.697) 8.076 19.455 ( -1.409 -24.928 4.477) 25.366 19.558 ( -7.042 -32.561 -4.591) 33.628 21.505 ( 0.154 -1.279 1.630) 2.077 21.632 ( 0.951 -1.598 -1.685) 2.509 22.431 ( -10.656 3.575 12.492) 16.804 22.632 ( -3.729 -1.805 -0.102) 4.145 23.253 ( 4.189 0.083 -3.788) 5.649 23.863 ( -17.479 0.240 4.789) 18.125 24.465 ( 3.586 2.137 11.176) 11.930 25.151 ( -14.172 2.467 -17.390) 22.569 25.783 ( 27.595 7.453 18.788) 34.206 26.235 ( 2.156 -2.486 -4.388) 5.485 26.490 ( 11.438 6.901 -4.545) 14.110 27.331 ( 14.450 18.175 -14.002) 27.115 ======================= Grid point 118 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 24.825 -2.185 -12.447) 27.857 2.111 ( 17.805 -2.463 0.660) 17.987 2.314 ( 7.718 -16.404 16.863) 24.760 2.485 ( 26.504 9.338 3.486) 28.316 3.058 ( 1.482 -6.460 -15.385) 16.752 3.094 ( 15.364 4.001 7.818) 17.697 3.222 ( 6.077 -3.118 6.627) 9.517 3.438 ( -2.205 6.050 -8.627) 10.766 3.596 ( 16.508 -15.736 -12.744) 26.126 4.144 ( 13.843 -15.520 -1.378) 20.842 4.406 ( 9.449 -13.209 3.080) 16.530 4.516 ( 0.739 1.039 -9.816) 9.898 4.718 ( 13.106 -2.577 10.490) 16.984 5.048 ( 11.657 6.574 5.938) 14.641 5.114 ( 4.866 4.508 7.910) 10.323 5.250 ( 7.739 2.387 -3.470) 8.811 5.602 ( -0.824 2.017 1.150) 2.464 5.637 ( -3.974 1.409 0.532) 4.250 5.912 ( 1.604 -14.667 2.138) 14.909 6.269 ( 4.567 -5.662 -3.234) 7.961 6.327 ( 5.616 0.370 9.563) 11.096 6.553 ( -2.036 2.077 -10.429) 10.827 6.704 ( -3.776 5.775 -7.115) 9.911 6.775 ( 7.473 -4.423 -13.283) 15.870 6.890 ( 9.362 2.300 -2.280) 9.906 7.133 ( -9.478 2.723 2.688) 10.221 7.160 ( 6.537 1.717 -1.524) 6.929 7.282 ( -17.519 9.495 -1.750) 20.004 7.633 ( -7.654 1.360 1.520) 7.921 7.792 ( -4.329 7.325 10.393) 13.432 7.811 ( -13.414 4.827 2.540) 14.481 8.216 ( 2.356 4.650 -3.691) 6.388 8.299 ( 0.320 0.303 2.550) 2.587 8.382 ( -1.124 3.327 1.127) 3.688 8.584 ( -4.138 3.337 -6.401) 8.321 8.698 ( -2.654 2.622 -0.055) 3.731 8.958 ( -7.509 4.330 3.584) 9.380 8.991 ( -3.010 1.041 7.131) 7.810 9.384 ( 4.850 -1.574 2.833) 5.833 9.593 ( -5.447 -0.561 -1.371) 5.645 9.631 ( -7.624 -0.654 -3.066) 8.243 10.010 ( 0.633 -4.715 -3.321) 5.802 10.141 ( -0.597 5.877 4.679) 7.536 10.476 ( -11.024 8.051 -6.310) 15.038 11.259 ( -10.168 2.519 -8.003) 13.182 11.311 ( -7.725 1.264 9.251) 12.118 11.650 ( -12.371 10.280 -2.016) 16.210 12.262 ( -11.771 2.025 11.032) 16.259 12.654 ( -0.480 1.131 -1.883) 2.249 12.962 ( -2.571 6.069 0.663) 6.624 13.120 ( -5.877 -11.353 -4.326) 13.496 13.282 ( -1.869 -1.643 -3.658) 4.424 13.305 ( 3.145 -4.691 1.735) 5.908 13.526 ( 4.951 2.620 -1.239) 5.737 13.834 ( -3.677 0.562 -1.193) 3.907 13.961 ( -1.982 0.091 2.707) 3.356 14.228 ( -5.635 -0.365 8.475) 10.184 14.535 ( -3.104 -5.567 -4.462) 7.781 15.957 ( 7.800 3.336 1.883) 8.690 16.045 ( 7.200 2.657 -1.929) 7.914 16.856 ( -2.511 -0.604 -3.909) 4.686 17.129 ( 2.523 -2.265 3.915) 5.179 17.674 ( 1.514 8.282 1.216) 8.506 17.774 ( 0.834 4.994 -3.052) 5.912 19.863 ( -5.484 -25.428 0.773) 26.024 19.988 ( -6.487 -27.457 -1.629) 28.260 21.541 ( 0.322 -2.330 1.343) 2.708 21.679 ( 0.980 -2.962 -1.344) 3.397 22.313 ( -7.270 2.029 8.803) 11.596 22.584 ( -4.678 2.080 -2.416) 5.661 23.293 ( 6.025 0.538 -6.085) 8.580 23.694 ( -16.546 -0.323 6.740) 17.869 24.463 ( 4.294 4.462 6.066) 8.669 25.019 ( -3.511 -0.167 -12.232) 12.727 25.917 ( 18.238 7.830 14.114) 24.354 26.280 ( 3.512 0.095 -3.368) 4.866 26.443 ( 10.822 10.946 -4.620) 16.071 27.151 ( 7.261 13.611 -4.023) 15.942 ======================= Grid point 119 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 23.852 6.426 -10.382) 26.796 2.395 ( 9.233 -9.754 -4.789) 14.259 2.495 ( 22.788 9.595 9.034) 26.324 2.771 ( 7.174 -13.359 10.756) 18.591 3.063 ( -2.488 -5.218 -8.526) 10.301 3.090 ( -4.677 4.043 -17.032) 18.119 3.310 ( 11.911 -0.599 7.133) 13.896 3.507 ( 6.799 -6.949 1.221) 9.798 3.979 ( 12.121 -11.413 -6.252) 17.783 4.423 ( -1.111 1.953 -8.560) 8.850 4.486 ( -0.986 3.876 3.154) 5.094 4.559 ( 6.290 -15.243 0.013) 16.490 4.867 ( 5.337 4.603 3.923) 8.066 4.943 ( 3.356 12.114 -3.704) 13.105 5.192 ( 2.771 -6.148 14.478) 15.972 5.289 ( 2.461 -2.621 3.406) 4.953 5.569 ( -0.134 -1.141 1.083) 1.579 5.824 ( 19.727 -2.481 5.890) 20.736 6.122 ( 5.094 -4.358 -4.625) 8.144 6.379 ( 1.282 -2.345 -2.770) 3.849 6.399 ( -8.586 1.463 -12.789) 15.473 6.484 ( 4.912 -0.762 7.192) 8.742 6.529 ( 6.155 2.610 2.874) 7.277 6.768 ( -2.133 3.986 -3.592) 5.774 6.898 ( 0.209 1.686 0.559) 1.789 6.972 ( -5.961 4.080 1.344) 7.347 7.068 ( -5.538 5.285 -3.893) 8.588 7.207 ( -2.088 1.048 0.964) 2.527 7.466 ( -10.305 12.256 5.187) 16.832 7.605 ( -7.705 3.300 -4.121) 9.341 7.734 ( 4.011 -0.029 10.173) 10.935 8.119 ( 1.162 0.120 -6.382) 6.488 8.356 ( 1.155 -1.257 3.132) 3.567 8.395 ( 4.095 -2.009 2.519) 5.211 8.534 ( 3.178 0.487 -5.655) 6.505 8.617 ( -5.602 2.295 -3.154) 6.826 8.772 ( -7.666 7.702 4.437) 11.738 8.969 ( -4.761 0.088 4.737) 6.717 9.453 ( -0.726 3.089 -0.537) 3.218 9.483 ( -9.720 0.676 -6.571) 11.753 9.546 ( -3.276 -0.186 5.758) 6.627 9.980 ( -4.310 3.065 -0.475) 5.309 10.104 ( -3.030 -2.727 -5.278) 6.668 10.280 ( -1.277 5.639 -3.913) 6.981 11.104 ( -6.073 2.813 -3.489) 7.547 11.254 ( -4.402 0.849 3.954) 5.977 11.406 ( -8.335 4.962 -4.970) 10.899 12.173 ( -6.019 0.351 13.962) 15.208 12.629 ( -2.803 -1.670 -1.187) 3.472 12.866 ( -1.043 3.487 1.372) 3.889 13.215 ( -12.457 -8.124 -3.347) 15.244 13.262 ( 2.063 -0.643 -3.397) 4.026 13.400 ( 2.012 -2.883 0.408) 3.539 13.522 ( 2.631 2.406 0.087) 3.566 13.809 ( -0.387 1.156 5.231) 5.372 13.958 ( 1.464 0.457 -1.988) 2.511 14.233 ( -3.172 -4.074 5.519) 7.557 14.563 ( -3.914 -3.441 -7.409) 9.059 15.980 ( 6.521 3.594 0.187) 7.449 16.074 ( 4.667 0.688 0.279) 4.726 16.834 ( -1.237 0.024 -3.171) 3.404 17.187 ( 0.851 -1.719 2.780) 3.378 17.595 ( 1.319 3.656 1.237) 4.079 17.715 ( 0.510 2.481 -1.650) 3.022 20.162 ( -6.138 -17.882 -2.809) 19.113 20.333 ( -3.142 -19.808 2.387) 20.197 21.591 ( 0.594 -2.731 0.900) 2.936 21.739 ( 0.419 -3.265 -0.522) 3.333 22.251 ( -3.819 -0.223 4.811) 6.146 22.471 ( -4.812 4.234 -3.164) 7.148 23.333 ( 5.979 0.770 -5.903) 8.438 23.577 ( -12.416 -1.954 7.897) 14.844 24.442 ( 6.396 5.240 0.707) 8.298 24.999 ( -1.683 -1.666 -5.665) 6.141 25.958 ( 9.672 7.136 10.607) 16.030 26.291 ( 2.596 1.202 -5.699) 6.377 26.345 ( 9.579 12.318 -1.615) 15.688 27.017 ( 2.179 7.834 -0.906) 8.182 ======================= Grid point 120 (46/117) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 23.737 14.086 -8.859) 28.989 2.507 ( 0.402 0.158 -1.364) 1.430 2.570 ( 13.737 6.223 3.327) 15.444 2.800 ( -1.378 7.731 6.755) 10.358 2.947 ( -7.894 -0.439 -22.569) 23.914 3.362 ( 1.098 -10.198 -0.157) 10.258 3.424 ( 5.583 -6.760 8.311) 12.080 3.756 ( 12.550 -12.449 0.776) 17.694 4.175 ( 8.874 -1.681 -3.058) 9.536 4.289 ( -7.205 9.446 -2.549) 12.150 4.372 ( 2.690 7.107 -1.909) 7.835 4.689 ( -4.541 -1.715 3.967) 6.269 4.798 ( 3.142 4.539 0.200) 5.524 5.004 ( 9.720 -5.469 8.236) 13.864 5.167 ( -7.698 4.347 -3.717) 9.590 5.399 ( -0.319 0.454 -2.347) 2.412 5.751 ( 12.720 -17.565 1.722) 21.755 5.897 ( 2.205 8.687 -5.307) 10.416 6.128 ( -2.410 5.638 -4.475) 7.591 6.192 ( -8.286 8.938 -3.882) 12.792 6.288 ( 0.383 6.305 8.454) 10.553 6.463 ( -7.632 -2.250 0.860) 8.003 6.669 ( -5.172 1.312 -4.006) 6.672 6.724 ( -3.872 7.897 1.857) 8.989 6.887 ( -5.998 -1.867 -4.215) 7.565 6.955 ( 14.976 -12.511 11.682) 22.743 7.022 ( 2.826 2.631 1.078) 4.009 7.210 ( -0.704 -4.039 6.840) 7.975 7.305 ( 4.530 2.185 9.984) 11.179 7.441 ( -2.432 4.021 -3.506) 5.863 7.748 ( -0.651 0.195 7.685) 7.714 8.106 ( -7.279 5.294 -0.180) 9.002 8.386 ( -5.013 3.185 5.216) 7.905 8.428 ( 2.501 -1.340 -1.508) 3.213 8.506 ( -0.901 3.727 -9.367) 10.122 8.626 ( 5.822 -5.305 -4.310) 8.979 8.672 ( 0.820 -0.980 -0.038) 1.278 8.955 ( 1.800 -1.295 0.824) 2.366 9.147 ( -11.157 9.846 -12.677) 19.548 9.530 ( -5.336 -4.930 6.178) 9.536 9.580 ( 2.939 -3.067 -0.211) 4.253 9.904 ( -1.502 0.369 -6.741) 6.916 10.117 ( -3.626 -3.766 -0.464) 5.249 10.226 ( 4.170 2.926 -2.448) 5.652 11.029 ( -4.045 0.717 1.748) 4.464 11.240 ( 1.101 -2.052 -0.298) 2.348 11.290 ( -1.584 1.917 -4.074) 4.773 12.174 ( 1.088 -0.854 8.298) 8.412 12.649 ( -5.417 -4.756 4.510) 8.503 12.832 ( -0.095 0.206 3.502) 3.509 13.144 ( -9.810 -0.795 -4.638) 10.880 13.317 ( 0.069 -2.819 -1.914) 3.408 13.451 ( -0.248 -2.549 -2.099) 3.312 13.507 ( 0.317 1.042 1.468) 1.828 13.783 ( 0.115 3.493 7.451) 8.230 13.977 ( 3.292 -0.292 -0.621) 3.362 14.297 ( -1.175 -4.617 1.101) 4.890 14.548 ( -3.887 -1.790 -8.717) 9.710 15.964 ( 4.187 4.722 -0.871) 6.370 16.108 ( 1.726 0.184 1.983) 2.636 16.823 ( 0.646 0.045 -2.629) 2.707 17.214 ( -0.718 -1.047 1.666) 2.095 17.566 ( 1.247 2.024 -0.104) 2.379 17.694 ( -0.161 0.250 0.550) 0.626 20.333 ( -3.566 -9.487 -2.127) 10.356 20.593 ( 0.098 -12.852 1.923) 12.996 21.638 ( 0.774 -1.540 0.455) 1.783 21.783 ( -0.788 -2.090 0.632) 2.322 22.264 ( 0.210 -2.407 0.355) 2.442 22.361 ( -2.874 2.518 -1.423) 4.077 23.371 ( 5.405 0.299 -4.704) 7.172 23.527 ( -8.493 -2.906 7.644) 11.790 24.422 ( 7.493 5.587 -1.774) 9.514 24.998 ( -3.797 -2.122 -2.312) 4.926 25.920 ( 1.228 5.913 7.206) 9.403 26.225 ( 3.591 9.047 -1.911) 9.919 26.281 ( 4.715 4.174 -3.428) 7.170 26.924 ( -1.150 4.073 -0.083) 4.233 ======================= Grid point 121 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 21.965 17.533 -9.102) 29.542 2.435 ( -3.863 4.522 -1.398) 6.109 2.584 ( -1.282 6.601 -6.835) 9.588 2.646 ( 6.681 10.554 12.992) 18.022 2.842 ( -5.770 0.549 -8.470) 10.263 3.317 ( -2.560 7.522 -2.651) 8.376 3.505 ( -3.050 5.221 12.210) 13.625 3.987 ( -8.414 4.193 1.009) 9.455 4.134 ( 2.494 2.222 -11.744) 12.210 4.254 ( 7.810 3.116 2.306) 8.719 4.326 ( 9.237 -4.528 -6.201) 12.011 4.712 ( -1.959 -5.654 -1.375) 6.140 4.753 ( -1.091 9.221 -3.303) 9.855 5.028 ( -4.013 -2.208 6.033) 7.575 5.110 ( -1.459 1.071 7.487) 7.703 5.428 ( 8.176 -0.467 0.081) 8.190 5.611 ( -10.327 15.993 -7.311) 20.393 5.717 ( -12.402 9.226 -10.365) 18.611 6.120 ( 7.534 12.603 10.607) 18.114 6.173 ( -12.739 3.662 2.219) 13.439 6.250 ( 2.534 -7.318 1.481) 7.885 6.317 ( -4.347 -6.573 1.600) 8.041 6.649 ( -1.067 -3.727 -2.263) 4.489 6.732 ( -0.181 -7.743 3.667) 8.569 6.843 ( -5.114 -0.709 -4.548) 6.880 6.974 ( -1.097 -2.066 4.180) 4.790 7.212 ( -1.338 0.005 2.296) 2.657 7.312 ( 4.045 -11.268 10.643) 16.019 7.426 ( 6.722 -0.422 11.398) 13.239 7.466 ( 10.813 -3.127 2.439) 11.518 7.843 ( -3.323 0.562 -1.581) 3.723 7.924 ( 6.597 -1.385 -5.500) 8.700 8.276 ( -9.080 10.313 -5.735) 14.889 8.365 ( 2.180 2.313 -1.191) 3.394 8.442 ( -4.165 -2.476 -0.742) 4.902 8.647 ( -4.942 0.953 -4.274) 6.603 8.773 ( 1.665 -2.724 1.559) 3.553 8.887 ( -0.618 -1.696 -2.469) 3.058 9.135 ( 6.231 -0.890 -0.283) 6.300 9.534 ( -11.387 -6.160 -0.594) 12.960 9.691 ( 7.497 -1.809 1.284) 7.818 9.988 ( 7.348 -10.572 -8.081) 15.201 10.143 ( -2.348 -2.778 -1.170) 3.821 10.231 ( 6.159 3.068 -2.267) 7.245 10.984 ( -4.292 -0.295 3.078) 5.290 11.267 ( -0.176 -2.657 -3.150) 4.125 11.393 ( 13.954 -5.688 -0.897) 15.096 12.248 ( 4.880 -2.750 2.625) 6.186 12.667 ( -6.960 -3.364 6.311) 9.980 12.874 ( -0.395 -3.901 7.957) 8.871 13.044 ( -9.390 -0.525 -5.931) 11.118 13.342 ( 1.487 0.350 -1.096) 1.880 13.475 ( -0.888 -1.736 -3.218) 3.763 13.508 ( -2.161 -1.938 2.057) 3.558 13.735 ( 0.501 3.387 5.399) 6.393 14.020 ( 5.021 0.760 -0.084) 5.079 14.339 ( -2.273 -1.696 0.677) 2.915 14.529 ( -1.618 -1.722 -7.915) 8.260 15.911 ( 1.822 5.114 -0.303) 5.437 16.095 ( -1.637 1.994 1.859) 3.180 16.839 ( 2.739 -0.321 -1.893) 3.344 17.218 ( -1.616 -0.695 0.747) 1.912 17.545 ( 0.970 1.847 -0.127) 2.090 17.699 ( -0.841 -1.200 0.353) 1.507 20.404 ( -0.429 -1.606 0.559) 1.754 20.773 ( 3.635 -6.302 -0.991) 7.342 21.652 ( 0.675 0.936 0.550) 1.278 21.790 ( -1.635 0.047 0.481) 1.705 22.273 ( 0.507 0.859 0.381) 1.067 22.396 ( 3.226 -5.812 -1.803) 6.887 23.422 ( 3.674 -1.715 -1.593) 4.356 23.526 ( -3.734 -3.259 5.058) 7.082 24.402 ( 7.708 5.761 -1.982) 9.825 24.975 ( -7.345 -2.179 -1.633) 7.834 25.820 ( -6.705 3.864 3.813) 8.627 26.111 ( 1.292 7.179 1.100) 7.376 26.240 ( 2.887 4.586 -3.460) 6.429 26.852 ( -3.795 1.754 0.073) 4.181 ======================= Grid point 122 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 16.348 19.261 -8.518) 26.660 2.260 ( -3.024 23.017 -1.186) 23.245 2.279 ( -5.381 8.644 0.554) 10.197 2.581 ( 0.327 10.681 5.924) 12.218 2.823 ( 4.681 1.166 4.905) 6.879 3.085 ( -9.129 13.034 -2.586) 16.121 3.338 ( 1.332 9.459 3.639) 10.222 3.806 ( -20.777 -0.229 2.872) 20.976 3.989 ( 0.369 11.776 -14.099) 18.374 4.081 ( -2.679 16.858 4.204) 17.580 4.386 ( -4.311 17.524 -7.347) 19.485 4.629 ( 2.638 -5.612 -0.864) 6.261 4.772 ( -0.894 2.593 -0.942) 2.900 4.896 ( -5.152 8.989 -0.063) 10.361 5.142 ( -3.843 -3.072 2.622) 5.575 5.386 ( 0.134 -3.836 10.907) 11.562 5.475 ( -10.246 6.024 -13.135) 17.714 5.636 ( 9.689 -6.951 5.058) 12.953 5.917 ( 4.228 10.968 -1.141) 11.810 5.995 ( -1.544 1.078 8.770) 8.970 6.349 ( -3.426 -1.477 1.339) 3.964 6.418 ( -7.161 -4.019 -0.187) 8.214 6.613 ( -4.321 -2.698 1.506) 5.312 6.776 ( -6.871 5.993 11.697) 14.831 6.936 ( 6.143 -6.912 -5.673) 10.849 7.081 ( -1.498 -12.628 -8.104) 15.079 7.276 ( 2.707 -5.867 -2.126) 6.802 7.488 ( -1.989 -3.381 3.905) 5.535 7.555 ( 7.143 -8.920 1.555) 11.533 7.644 ( 4.654 -3.344 -0.038) 5.731 7.835 ( 10.224 -4.826 -2.385) 11.554 7.962 ( -1.508 5.111 -6.403) 8.331 8.112 ( 1.650 -0.619 4.374) 4.716 8.410 ( 5.178 -0.527 2.563) 5.802 8.445 ( -9.245 -5.425 -0.388) 10.726 8.563 ( 0.950 -0.893 -6.045) 6.184 8.803 ( -1.915 -1.441 4.644) 5.226 9.017 ( 0.453 -7.890 2.224) 8.210 9.152 ( 2.441 2.597 3.720) 5.151 9.510 ( -13.514 -6.554 -3.881) 15.512 9.777 ( 8.053 0.384 2.607) 8.474 10.132 ( -1.825 0.410 -0.464) 1.927 10.185 ( 1.798 3.598 -4.573) 6.091 10.364 ( 15.565 -13.552 -5.928) 21.472 10.993 ( -1.580 -4.763 2.761) 5.728 11.350 ( 1.462 -7.055 -4.370) 8.426 11.703 ( 20.553 -9.323 -1.055) 22.594 12.363 ( 4.318 -4.613 1.436) 6.480 12.645 ( -8.209 -2.258 6.526) 10.728 12.921 ( -10.110 -3.139 -2.475) 10.872 12.989 ( 0.788 -1.847 5.209) 5.583 13.332 ( 1.679 2.844 0.633) 3.363 13.484 ( -1.031 -1.234 -2.687) 3.132 13.519 ( -2.140 -1.289 -1.336) 2.833 13.732 ( 2.250 -1.414 2.244) 3.478 14.032 ( 3.348 3.079 -2.928) 5.409 14.322 ( -2.326 0.407 5.141) 5.657 14.544 ( 1.169 -1.404 -5.444) 5.743 15.838 ( 0.347 4.703 0.576) 4.751 16.021 ( -4.125 3.239 0.925) 5.326 16.876 ( 4.190 0.140 -0.562) 4.230 17.204 ( -2.171 0.301 -0.250) 2.206 17.530 ( 0.359 0.668 1.146) 1.374 17.716 ( -0.862 -2.120 -2.037) 3.064 20.374 ( 1.837 6.946 4.031) 8.238 20.870 ( 6.766 0.450 -6.181) 9.175 21.628 ( 0.483 2.643 1.160) 2.926 21.751 ( -1.472 2.348 -0.938) 2.926 22.294 ( 1.370 -1.538 5.005) 5.412 22.547 ( 6.476 -6.177 -5.093) 10.297 23.503 ( -3.578 -7.373 8.355) 11.704 23.596 ( 7.559 -3.448 -3.444) 8.994 24.384 ( 7.491 5.410 -0.145) 9.242 24.907 ( -11.173 -1.481 -2.643) 11.577 25.669 ( -13.364 2.423 0.816) 13.607 26.019 ( -3.704 2.644 -1.062) 4.673 26.187 ( 4.825 5.500 1.802) 7.535 26.782 ( -6.091 0.699 -0.248) 6.136 ======================= Grid point 123 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 9.134 16.198 -4.456) 19.122 1.779 ( -5.985 28.720 -8.408) 30.518 2.044 ( 0.925 18.514 6.746) 19.726 2.338 ( -11.384 11.572 5.593) 17.169 2.675 ( 3.342 18.975 1.850) 19.356 2.908 ( -0.081 0.682 3.394) 3.463 3.309 ( 5.281 9.302 -3.324) 11.202 3.461 ( -16.052 13.351 18.480) 27.882 3.664 ( -12.950 21.210 11.310) 27.304 3.742 ( -5.293 10.518 -4.577) 12.633 4.171 ( 0.662 3.773 -20.617) 20.970 4.406 ( -2.663 14.530 8.066) 16.831 4.815 ( -0.607 -3.333 -2.960) 4.499 4.854 ( 1.974 4.050 -9.425) 10.447 5.102 ( -2.258 7.462 -9.298) 12.134 5.233 ( -8.707 3.269 -4.667) 10.406 5.485 ( 2.117 -5.656 14.247) 15.474 5.904 ( 8.535 -9.330 -2.507) 12.891 5.935 ( 9.289 -0.893 -0.311) 9.337 6.048 ( 0.139 -0.978 9.884) 9.933 6.204 ( -2.697 8.811 5.558) 10.761 6.418 ( -6.491 -1.862 0.124) 6.754 6.607 ( -3.413 3.902 1.220) 5.325 6.670 ( -7.157 -8.999 5.437) 12.719 7.122 ( 5.200 -4.586 -12.187) 14.021 7.135 ( -3.469 -2.008 -14.897) 15.427 7.368 ( -7.134 0.106 -5.343) 8.913 7.430 ( 4.310 -5.421 -7.051) 9.883 7.774 ( 7.397 -8.403 0.261) 11.198 7.856 ( 3.736 -6.036 16.337) 17.813 7.912 ( -5.130 -5.708 0.344) 7.682 8.064 ( 10.743 -6.784 -0.163) 12.707 8.206 ( 3.780 -5.891 4.181) 8.153 8.363 ( -6.535 -0.846 3.396) 7.413 8.544 ( 2.033 -6.292 4.971) 8.272 8.687 ( 7.230 -6.150 -7.139) 11.877 8.836 ( -1.697 -4.716 3.097) 5.891 9.068 ( -5.908 -1.389 -1.001) 6.151 9.164 ( 3.653 0.139 5.897) 6.938 9.471 ( -10.441 -4.975 -4.526) 12.420 9.853 ( 8.902 2.265 -0.972) 9.236 10.054 ( 1.802 8.186 -7.749) 11.415 10.120 ( -4.258 0.951 7.574) 8.741 10.728 ( 10.834 -13.615 -3.517) 17.751 11.131 ( 0.447 -11.217 2.071) 11.415 11.502 ( 0.430 -10.716 -6.089) 12.332 12.055 ( 18.082 -6.469 0.686) 19.216 12.462 ( -4.492 -3.336 5.329) 7.727 12.640 ( -0.323 -4.934 5.109) 7.110 12.837 ( -12.187 -3.210 -6.472) 14.167 13.046 ( 2.939 0.540 7.927) 8.471 13.290 ( 1.579 3.934 0.393) 4.257 13.469 ( -4.681 0.275 0.857) 4.766 13.501 ( 2.434 2.108 -11.576) 12.016 13.834 ( 3.400 -5.555 0.645) 6.545 14.009 ( 0.703 -1.460 -2.489) 2.970 14.318 ( 0.297 0.379 9.149) 9.162 14.569 ( 2.219 -0.156 -2.338) 3.227 15.772 ( 0.170 3.596 1.332) 3.838 15.919 ( -4.711 3.153 -0.424) 5.684 16.911 ( 4.606 1.340 1.336) 4.980 17.158 ( -2.819 1.937 -1.379) 3.688 17.544 ( -0.269 -2.420 2.016) 3.161 17.747 ( -0.263 -3.130 -4.803) 5.739 20.209 ( 2.324 17.081 7.408) 18.762 20.858 ( 7.965 8.460 -15.684) 19.519 21.583 ( -0.067 3.142 1.762) 3.603 21.692 ( -0.253 2.995 -1.969) 3.593 22.359 ( 0.422 -3.272 8.841) 9.437 22.694 ( 8.347 -3.278 -8.269) 12.198 23.635 ( -12.779 -15.566 18.426) 27.297 23.802 ( 18.465 -6.526 -8.313) 21.276 24.379 ( 5.154 3.526 4.619) 7.767 24.792 ( -11.818 -0.476 -4.724) 12.736 25.477 ( -12.740 3.495 -0.061) 13.211 25.925 ( -11.806 -1.581 -7.550) 14.102 26.196 ( 10.318 3.685 10.145) 14.932 26.695 ( -7.273 1.510 -1.346) 7.549 ======================= Grid point 124 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -4.640 13.382 -2.907) 14.459 1.276 ( 7.950 8.569 -5.702) 13.005 1.713 ( 7.945 24.726 15.562) 30.276 2.034 ( -16.190 3.595 -5.032) 17.331 2.538 ( -1.272 16.481 18.251) 24.624 2.726 ( 17.726 25.326 17.244) 35.397 2.978 ( -2.572 13.624 4.478) 14.570 3.250 ( -6.658 6.904 -1.719) 9.745 3.535 ( 12.281 0.613 15.718) 19.957 3.568 ( -2.752 1.770 -6.258) 7.061 4.108 ( -2.685 1.704 -9.422) 9.944 4.180 ( 3.474 15.251 -2.759) 15.883 4.711 ( 4.931 15.160 -13.759) 21.058 4.762 ( -4.175 -0.880 -12.741) 13.437 4.991 ( 2.341 0.668 -2.112) 3.223 5.160 ( -4.450 0.265 -3.846) 5.888 5.659 ( 4.731 -3.413 9.473) 11.125 5.844 ( -0.417 7.064 1.343) 7.202 5.969 ( -10.921 9.395 1.578) 14.492 6.107 ( 2.028 -0.346 9.324) 9.548 6.165 ( 8.202 -7.475 1.005) 11.143 6.492 ( 8.293 -2.159 -4.972) 9.907 6.553 ( -3.979 -0.740 -0.525) 4.081 6.758 ( -7.306 -8.169 5.511) 12.267 7.053 ( -5.249 0.058 -20.770) 21.423 7.060 ( -2.460 4.035 -10.392) 11.416 7.432 ( -2.274 2.950 1.521) 4.023 7.528 ( 4.168 -11.746 -0.158) 12.465 7.912 ( -3.988 -4.800 0.039) 6.240 7.973 ( 4.634 -7.036 -1.201) 8.510 8.036 ( 0.431 -5.040 18.688) 19.360 8.271 ( -0.468 -9.583 4.287) 10.508 8.330 ( 4.751 -2.970 1.871) 5.907 8.385 ( -4.492 -6.890 -2.846) 8.704 8.651 ( 2.170 -0.589 0.016) 2.249 8.804 ( 1.643 -4.296 -7.703) 8.972 8.924 ( -1.830 -6.099 2.733) 6.930 9.042 ( -0.997 -2.645 1.545) 3.221 9.222 ( 5.366 0.363 3.688) 6.522 9.466 ( -3.459 -4.699 -3.099) 6.607 9.857 ( 6.118 5.474 -4.050) 9.154 9.924 ( 2.815 6.794 -11.387) 13.556 10.074 ( -4.907 2.569 18.028) 18.860 11.008 ( 0.540 -12.603 -8.951) 15.467 11.344 ( -0.772 -13.103 4.050) 13.737 11.674 ( -3.417 -12.770 -8.073) 15.489 12.224 ( -1.116 0.254 15.047) 15.090 12.399 ( -2.252 1.856 4.075) 5.012 12.718 ( -2.341 2.211 -5.789) 6.624 12.893 ( -0.048 -15.487 4.073) 16.014 13.053 ( 3.179 4.008 5.989) 7.877 13.241 ( 0.030 2.962 -1.234) 3.209 13.396 ( 0.381 6.656 -13.017) 14.625 13.416 ( -1.363 3.346 -6.545) 7.476 13.975 ( 2.642 -8.509 7.509) 11.652 14.145 ( -0.779 -12.490 -1.996) 12.673 14.354 ( 0.669 -2.318 9.323) 9.630 14.578 ( 1.066 1.068 0.299) 1.538 15.728 ( 0.950 2.618 1.881) 3.361 15.836 ( -1.365 2.077 -1.832) 3.088 16.931 ( 4.075 2.000 3.243) 5.579 17.080 ( -3.347 2.972 -2.533) 5.143 17.628 ( -0.156 -8.038 1.484) 8.176 17.794 ( 0.014 -3.900 -6.120) 7.257 19.876 ( 1.286 26.576 9.071) 28.111 20.629 ( 0.852 22.796 -30.833) 38.354 21.535 ( -0.512 2.535 1.999) 3.269 21.645 ( 0.759 2.392 -2.126) 3.289 22.440 ( -1.246 -4.779 9.765) 10.943 22.786 ( 8.229 0.486 -11.191) 13.899 23.760 ( -38.119 -20.460 22.159) 48.608 24.118 ( 17.640 -7.044 -3.728) 19.357 24.348 ( -13.334 -0.659 10.544) 17.012 24.742 ( 8.655 -1.430 -5.942) 10.595 25.440 ( 21.616 -2.222 7.760) 23.074 25.810 ( -18.354 -5.380 -9.880) 21.528 26.297 ( 10.498 0.954 11.253) 15.419 26.585 ( -1.204 4.243 -3.333) 5.528 ======================= Grid point 127 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 19.424 0.000 6.899) 20.613 1.570 ( -0.688 -0.000 3.099) 3.175 2.234 ( 8.005 0.000 0.855) 8.051 2.564 ( 24.715 0.000 10.872) 27.001 2.916 ( 34.790 0.000 2.574) 34.885 3.032 ( 4.232 0.000 -17.397) 17.905 3.281 ( 12.323 0.000 15.185) 19.556 3.547 ( 32.111 0.000 8.633) 33.251 3.586 ( -3.607 -0.000 -22.597) 22.883 3.887 ( 5.393 0.000 7.339) 9.107 4.152 ( 24.024 0.000 3.413) 24.265 4.285 ( -2.262 -0.000 -13.031) 13.226 4.988 ( 7.225 0.000 -2.169) 7.544 5.043 ( 2.290 0.000 0.851) 2.442 5.192 ( 11.880 0.000 17.141) 20.855 5.296 ( 21.501 0.000 -25.879) 33.646 5.449 ( -3.808 -0.000 14.781) 15.263 5.686 ( -9.193 -0.000 0.240) 9.197 5.838 ( 5.208 0.000 -12.705) 13.731 6.093 ( 12.347 0.000 11.479) 16.858 6.449 ( 6.407 0.000 -11.412) 13.087 6.462 ( 4.325 0.000 -4.521) 6.257 6.557 ( -2.404 -0.000 3.823) 4.516 6.674 ( 3.521 0.000 -9.935) 10.540 7.155 ( 0.963 0.000 -4.659) 4.758 7.159 ( -5.027 -0.000 -4.221) 6.564 7.298 ( -15.514 -0.000 1.390) 15.576 7.496 ( -7.797 -0.000 -3.697) 8.629 7.676 ( -11.117 -0.000 5.789) 12.534 7.726 ( -7.667 -0.000 1.573) 7.826 7.952 ( -1.711 -0.000 11.575) 11.700 8.191 ( 4.958 0.000 -7.780) 9.225 8.400 ( -5.217 -0.000 8.094) 9.630 8.500 ( -1.843 -0.000 -10.094) 10.261 8.663 ( -9.591 -0.000 -7.204) 11.995 8.797 ( 4.764 0.000 -2.250) 5.269 8.905 ( -15.289 -0.000 14.734) 21.232 9.168 ( -9.649 -0.000 -2.061) 9.867 9.336 ( 1.288 0.000 3.692) 3.910 9.555 ( -7.269 -0.000 -9.603) 12.044 9.585 ( 1.287 0.000 7.304) 7.416 9.853 ( 6.885 0.000 -13.966) 15.571 10.349 ( -2.404 -0.000 22.906) 23.032 10.590 ( -9.282 -0.000 -10.636) 14.116 11.209 ( -15.522 -0.000 13.421) 20.520 11.337 ( -15.809 -0.000 -5.432) 16.716 12.073 ( -6.015 -0.000 0.548) 6.040 12.334 ( -13.997 -0.000 7.060) 15.677 12.480 ( -6.617 -0.000 -0.314) 6.624 12.877 ( -9.728 -0.000 -7.256) 12.136 13.113 ( -2.930 -0.000 -3.652) 4.682 13.156 ( 3.505 0.000 0.923) 3.624 13.306 ( 2.301 0.000 -0.387) 2.333 13.598 ( 5.869 0.000 -2.013) 6.205 13.859 ( -11.947 -0.000 3.403) 12.422 13.880 ( -4.811 -0.000 9.137) 10.326 14.328 ( -3.823 -0.000 -3.672) 5.300 14.330 ( -2.748 -0.000 4.592) 5.351 16.066 ( 7.047 0.000 -0.251) 7.051 16.116 ( 8.222 0.000 -1.221) 8.312 16.840 ( -1.617 -0.000 -4.420) 4.706 17.092 ( 4.301 0.000 3.690) 5.667 17.952 ( -0.255 -0.000 -0.240) 0.350 17.978 ( 0.140 0.000 -0.863) 0.874 19.232 ( 0.674 0.000 -0.052) 0.676 19.237 ( 2.628 0.000 2.906) 3.918 21.500 ( 0.390 0.000 1.662) 1.707 21.624 ( 0.846 0.000 -1.723) 1.919 22.359 ( -11.789 -0.000 12.660) 17.300 22.607 ( -0.542 -0.000 -2.265) 2.329 23.305 ( 7.242 0.000 -8.063) 10.838 23.692 ( -17.670 -0.000 4.602) 18.259 24.538 ( 2.095 0.000 15.730) 15.869 25.022 ( -5.548 -0.000 -19.850) 20.611 26.155 ( 19.229 0.000 26.342) 32.614 26.227 ( 5.136 0.000 -8.637) 10.048 26.634 ( 8.251 0.000 -4.270) 9.290 27.530 ( 1.090 0.000 -16.730) 16.765 ======================= Grid point 128 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 16.668 7.270 -7.505) 19.673 2.072 ( 7.481 -23.475 10.058) 26.612 2.295 ( 8.960 2.231 1.564) 9.365 2.812 ( 15.942 -3.302 7.211) 17.806 3.097 ( 11.394 8.093 -10.468) 17.462 3.113 ( 5.103 -5.447 -4.566) 8.750 3.372 ( 9.263 7.473 4.501) 12.724 3.509 ( 0.395 2.990 -3.002) 4.255 3.782 ( 27.588 5.340 6.181) 28.772 4.121 ( 20.641 -6.223 -6.348) 22.474 4.286 ( 2.643 -9.667 -1.411) 10.121 4.524 ( 17.571 -6.991 -2.427) 19.066 4.904 ( 9.254 6.518 3.984) 12.000 5.152 ( 0.788 -2.004 3.120) 3.791 5.237 ( -2.250 5.458 9.762) 11.408 5.374 ( -0.906 5.028 -1.896) 5.449 5.612 ( 14.647 -12.489 -2.736) 19.442 5.659 ( 8.255 0.456 6.315) 10.403 5.826 ( 7.320 3.026 -1.692) 8.100 6.267 ( 5.450 1.181 -1.410) 5.752 6.424 ( 5.771 2.549 1.994) 6.616 6.501 ( 1.325 -2.439 -6.560) 7.123 6.678 ( 4.483 -5.135 -12.554) 14.285 6.729 ( 0.579 -2.731 -9.321) 9.730 7.002 ( 2.589 -0.405 -2.111) 3.365 7.110 ( -9.553 5.644 4.402) 11.937 7.151 ( -6.712 -0.844 -8.387) 10.775 7.367 ( -9.951 8.962 1.011) 13.430 7.526 ( -4.625 1.150 -1.893) 5.128 7.737 ( -6.345 -0.265 6.202) 8.877 7.910 ( -0.470 4.633 13.290) 14.082 8.250 ( 1.555 -0.626 -6.508) 6.720 8.322 ( -3.404 3.961 1.411) 5.410 8.424 ( -1.242 2.562 -4.469) 5.299 8.555 ( -6.071 0.573 -5.109) 7.955 8.712 ( -9.543 3.837 7.118) 12.508 8.871 ( -4.564 -2.887 2.283) 5.863 9.021 ( -8.704 4.616 3.211) 10.362 9.354 ( -2.771 -2.559 0.551) 3.812 9.488 ( -8.725 -3.958 -7.934) 12.440 9.592 ( 0.705 2.779 6.231) 6.859 9.938 ( 4.155 -4.755 -12.187) 13.725 10.259 ( -8.291 8.601 16.647) 20.490 10.433 ( -12.368 1.956 -4.506) 13.308 11.154 ( -8.306 -1.390 2.047) 8.667 11.192 ( -9.832 -2.876 1.924) 10.423 11.793 ( -9.743 17.739 0.976) 20.262 12.156 ( -14.497 0.494 5.293) 15.441 12.592 ( -6.067 -12.370 -0.915) 13.808 12.781 ( -13.404 -5.192 -9.256) 17.097 13.013 ( -4.361 4.666 -1.226) 6.503 13.247 ( 1.267 -5.620 4.554) 7.343 13.313 ( 3.336 2.116 -0.056) 3.951 13.623 ( 4.896 2.782 -3.296) 6.525 13.789 ( -3.444 -1.169 0.518) 3.674 13.916 ( -0.250 -3.542 5.992) 6.965 14.218 ( -3.693 3.579 3.211) 6.063 14.389 ( -3.878 -5.974 -3.310) 7.854 16.105 ( 7.568 3.509 0.804) 8.380 16.167 ( 6.867 2.681 -2.054) 7.652 16.828 ( -0.255 -0.286 -2.445) 2.474 17.142 ( 3.128 -0.486 2.932) 4.314 17.857 ( 0.948 9.803 -0.252) 9.852 17.884 ( 0.151 7.734 -1.076) 7.810 19.414 ( -1.560 -20.131 -0.798) 20.207 19.512 ( -0.157 -23.638 2.019) 23.724 21.519 ( 0.566 -1.211 1.554) 2.050 21.645 ( 0.818 -1.730 -1.606) 2.498 22.264 ( -9.190 0.489 9.732) 13.394 22.573 ( -3.049 1.599 -3.683) 5.042 23.362 ( 7.662 0.690 -9.278) 12.053 23.535 ( -14.572 -0.633 5.394) 15.551 24.567 ( 1.317 1.951 15.131) 15.314 24.976 ( 2.423 -0.068 -17.369) 17.537 26.229 ( 10.512 5.814 4.659) 12.885 26.337 ( 7.328 1.598 10.039) 12.531 26.663 ( 7.515 4.848 -4.326) 9.934 27.389 ( -1.779 10.561 -9.557) 14.354 ======================= Grid point 129 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 19.929 -4.896 -5.490) 21.243 2.389 ( 8.644 -3.306 0.137) 9.255 2.512 ( 6.924 -17.971 11.981) 22.681 2.960 ( 2.023 0.127 -13.221) 13.375 3.019 ( 14.248 10.478 -3.016) 17.942 3.184 ( -0.659 8.806 -5.259) 10.278 3.296 ( -1.924 -8.017 0.588) 8.265 3.556 ( 14.137 1.921 13.241) 19.464 4.012 ( 19.611 -1.525 -1.846) 19.757 4.397 ( -0.671 -3.249 0.617) 3.375 4.427 ( 13.335 -7.233 -8.831) 17.553 4.658 ( 10.947 6.342 -0.759) 12.674 4.982 ( 5.045 2.615 2.076) 6.050 5.133 ( 0.991 5.083 3.429) 6.212 5.191 ( 5.737 -0.713 10.452) 11.944 5.266 ( -3.593 -0.126 -0.146) 3.599 5.647 ( 3.401 7.712 1.240) 8.520 5.925 ( 2.911 -4.925 5.564) 7.980 6.029 ( 9.218 -10.754 2.380) 14.363 6.312 ( 6.046 -3.492 -0.889) 7.038 6.384 ( 2.839 -0.038 -9.345) 9.767 6.446 ( -10.369 4.334 -9.584) 14.770 6.651 ( 10.322 -0.346 7.100) 12.533 6.880 ( -8.753 7.602 3.444) 12.094 6.955 ( 6.965 6.789 -13.906) 16.970 6.995 ( 3.391 -1.993 -5.334) 6.627 7.109 ( 1.746 2.005 0.538) 2.712 7.231 ( -2.686 2.840 1.250) 4.104 7.464 ( -5.869 -0.002 -3.851) 7.020 7.580 ( -8.452 7.302 4.451) 12.024 7.888 ( 6.683 5.091 11.741) 14.437 8.087 ( -8.147 3.238 -10.007) 13.304 8.335 ( -0.477 -1.129 5.520) 5.654 8.410 ( -1.007 -0.661 4.713) 4.864 8.527 ( 2.240 -2.055 -11.326) 11.727 8.607 ( -3.271 1.739 3.778) 5.291 8.800 ( -8.671 4.076 3.355) 10.152 8.908 ( -7.311 -0.068 7.094) 10.187 9.341 ( -11.785 -2.231 -11.118) 16.354 9.450 ( -2.906 -2.360 1.719) 4.119 9.550 ( -0.883 3.699 4.319) 5.754 10.006 ( -0.003 -0.442 -0.688) 0.818 10.021 ( -12.640 4.042 0.784) 13.294 10.319 ( -2.446 1.683 -3.615) 4.678 11.042 ( -7.528 1.066 -6.085) 9.738 11.218 ( -2.157 -2.378 6.296) 7.068 11.449 ( -7.691 10.803 -0.066) 13.261 12.071 ( -10.910 -4.384 12.519) 17.175 12.601 ( -2.366 2.301 -9.056) 9.639 12.812 ( -17.993 -15.549 -0.501) 23.786 12.917 ( -2.268 1.180 -1.918) 3.196 13.306 ( 3.210 2.479 -0.574) 4.096 13.349 ( -1.108 -4.692 2.408) 5.389 13.604 ( 3.034 3.383 -3.699) 5.859 13.800 ( -0.833 -1.873 4.526) 4.968 13.984 ( 3.243 -1.047 0.097) 3.409 14.158 ( -3.738 -0.635 5.951) 7.056 14.429 ( -4.641 -5.062 -6.430) 9.407 16.122 ( 7.456 4.079 0.615) 8.521 16.170 ( 5.552 3.756 -1.612) 6.894 16.830 ( 0.995 0.163 -1.393) 1.720 17.178 ( 0.837 -0.697 2.431) 2.664 17.710 ( 1.474 8.083 0.923) 8.268 17.776 ( 0.125 4.961 -1.707) 5.248 19.758 ( -3.323 -22.631 -1.580) 22.928 19.922 ( -2.224 -25.230 1.952) 25.403 21.558 ( 0.890 -2.306 1.263) 2.776 21.688 ( 0.351 -2.843 -1.092) 3.066 22.201 ( -6.096 -0.855 6.623) 9.042 22.481 ( -4.531 3.349 -4.326) 7.104 23.388 ( 0.528 0.650 -2.555) 2.689 23.461 ( -2.960 -1.335 -0.359) 3.267 24.567 ( 1.785 2.804 12.067) 12.517 24.982 ( 4.304 0.792 -12.982) 13.700 26.217 ( 6.953 9.179 11.300) 16.133 26.349 ( 4.152 3.446 -3.038) 6.192 26.620 ( 7.804 8.729 -2.453) 11.963 27.171 ( -2.678 10.290 -3.647) 11.241 ======================= Grid point 130 (54/117) ======================= q-point: ( 0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 18.344 3.577 -0.585) 18.698 2.498 ( 2.332 -0.852 -1.383) 2.842 2.812 ( 2.281 0.184 -5.377) 5.844 2.814 ( 0.769 8.046 -6.894) 10.623 3.068 ( 5.783 3.100 6.706) 9.382 3.123 ( 10.894 -8.759 -0.669) 13.995 3.403 ( -2.907 -5.447 -0.115) 6.175 3.762 ( 13.052 -5.890 7.810) 16.311 4.171 ( 2.198 -4.300 -5.987) 7.692 4.366 ( 6.179 6.241 1.084) 8.849 4.582 ( 6.791 6.948 0.375) 9.723 4.643 ( 4.977 0.825 1.603) 5.293 4.921 ( 0.092 8.207 -4.614) 9.415 5.079 ( 8.445 -0.411 7.455) 11.272 5.184 ( -5.842 6.709 -1.874) 9.091 5.369 ( 0.662 -1.482 0.747) 1.787 5.636 ( 9.219 -10.671 4.618) 14.839 5.998 ( -3.078 0.491 2.626) 4.076 6.102 ( -12.571 -1.413 -6.331) 14.146 6.177 ( -4.778 4.556 -16.720) 17.976 6.362 ( -0.050 0.776 8.734) 8.769 6.482 ( 2.532 5.790 -10.853) 12.559 6.715 ( -1.272 9.831 4.100) 10.728 6.752 ( -3.659 -1.273 5.399) 6.646 6.882 ( -4.864 7.237 9.074) 12.585 6.965 ( 2.873 3.216 5.336) 6.861 7.111 ( 4.999 4.790 -2.143) 7.248 7.210 ( 11.902 -5.089 2.918) 13.270 7.356 ( -2.722 1.858 -0.666) 3.362 7.469 ( 3.889 0.473 -6.697) 7.758 7.854 ( 1.355 8.087 15.728) 17.737 8.055 ( -1.863 -3.260 -12.109) 12.678 8.352 ( -8.836 -1.072 4.071) 9.788 8.414 ( -2.702 0.790 6.099) 6.718 8.506 ( -3.003 0.268 -4.125) 5.109 8.630 ( 2.577 1.133 -2.153) 3.545 8.674 ( -0.322 0.202 0.347) 0.515 8.905 ( 0.862 -6.807 1.570) 7.038 9.163 ( -10.081 6.242 -10.493) 15.833 9.437 ( -4.152 2.254 -0.780) 4.788 9.539 ( 0.444 -5.021 2.184) 5.494 9.874 ( -7.888 0.137 -1.096) 7.965 10.019 ( -2.659 -2.782 -0.220) 3.855 10.299 ( 3.960 1.367 -4.463) 6.121 10.971 ( -5.556 -1.256 -1.527) 5.897 11.232 ( -0.888 1.635 2.333) 2.984 11.305 ( 1.577 0.030 -0.774) 1.757 12.114 ( -4.822 -6.646 12.785) 15.195 12.536 ( -5.341 -1.606 -5.009) 7.497 12.818 ( -7.476 -2.853 0.824) 8.045 12.933 ( -7.981 -7.011 -2.074) 10.823 13.303 ( 2.275 0.769 -0.191) 2.409 13.384 ( -3.644 -2.898 -1.887) 5.023 13.563 ( 1.438 3.349 -3.677) 5.177 13.834 ( 0.241 0.389 10.052) 10.063 14.012 ( 4.211 0.423 -1.563) 4.512 14.194 ( -2.476 -5.294 3.209) 6.667 14.440 ( -4.382 -3.747 -7.699) 9.619 16.107 ( 5.426 5.843 -0.943) 8.030 16.165 ( 3.928 2.785 0.789) 4.879 16.839 ( 2.341 0.394 -1.083) 2.609 17.188 ( -1.656 -0.583 1.310) 2.191 17.630 ( 1.686 3.933 0.612) 4.322 17.712 ( -0.456 2.448 -0.516) 2.543 20.065 ( -2.590 -17.821 -0.625) 18.019 20.294 ( -1.816 -21.364 0.787) 21.456 21.615 ( 1.390 -2.630 0.836) 3.090 21.733 ( -0.921 -2.698 0.008) 2.851 22.203 ( -2.270 -3.641 3.133) 5.313 22.374 ( -3.382 3.151 -3.350) 5.708 23.365 ( -5.453 -1.464 5.832) 8.117 23.488 ( 5.961 0.035 -8.113) 10.068 24.555 ( 1.292 3.081 10.258) 10.788 24.975 ( 3.106 2.195 -10.403) 11.077 26.099 ( -0.176 11.110 11.745) 16.168 26.311 ( 3.774 5.094 -9.556) 11.467 26.535 ( 8.065 10.571 1.006) 13.335 26.992 ( -3.721 6.788 -0.937) 7.797 ======================= Grid point 131 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 18.934 11.143 -0.151) 21.970 2.466 ( -1.505 3.478 -0.802) 3.874 2.664 ( 1.485 5.157 -10.702) 11.972 2.741 ( 0.501 7.247 -3.057) 7.881 3.050 ( 8.853 10.830 9.907) 17.141 3.304 ( -6.235 -2.401 2.989) 7.320 3.528 ( 1.406 -6.667 6.344) 9.310 3.979 ( 7.580 -2.326 -1.481) 8.066 4.207 ( 0.905 -1.286 -9.912) 10.036 4.360 ( 1.789 3.765 11.346) 12.088 4.430 ( 8.266 12.085 -6.797) 16.142 4.609 ( -4.619 1.022 -1.666) 5.016 4.903 ( 5.767 1.774 1.599) 6.242 4.971 ( -4.344 1.962 -1.579) 5.021 5.209 ( 6.616 3.692 10.922) 13.293 5.427 ( 6.705 -6.403 -7.953) 12.215 5.753 ( -7.337 10.993 -13.724) 19.053 5.802 ( -18.395 19.874 1.435) 27.119 6.048 ( -6.886 0.606 -8.996) 11.345 6.065 ( 11.449 -14.950 3.520) 19.157 6.326 ( -6.132 4.340 2.793) 8.015 6.429 ( -4.783 -1.929 2.554) 5.755 6.555 ( 5.549 8.554 6.651) 12.174 6.629 ( -5.392 -0.498 -3.954) 6.705 6.754 ( -6.385 3.614 3.645) 8.192 6.993 ( -1.298 3.577 4.276) 5.724 7.114 ( -1.667 -9.222 13.785) 16.669 7.215 ( -5.718 0.759 -2.140) 6.152 7.516 ( 19.450 -7.245 1.980) 20.850 7.661 ( 8.942 9.916 11.557) 17.659 7.807 ( 4.001 -4.564 -2.855) 6.707 7.964 ( -0.506 2.846 -6.323) 6.952 8.244 ( -10.340 -1.866 1.788) 10.658 8.364 ( -7.364 5.493 -5.357) 10.635 8.435 ( -3.051 -1.508 2.476) 4.209 8.623 ( 0.889 0.427 -0.183) 1.003 8.737 ( 0.413 -2.932 0.411) 2.990 8.910 ( -1.801 7.888 -6.466) 10.357 9.135 ( 6.169 -6.850 -4.351) 10.194 9.362 ( -8.622 -0.555 0.104) 8.640 9.690 ( 6.371 -7.723 -0.126) 10.013 9.858 ( -2.289 -7.779 -3.528) 8.843 10.060 ( -0.375 -3.750 -1.119) 3.932 10.320 ( 5.113 1.411 -4.504) 6.958 10.939 ( -4.331 -0.793 2.830) 5.234 11.200 ( -2.656 -1.942 -3.214) 4.600 11.448 ( 13.388 -5.473 2.719) 14.716 12.206 ( -1.220 -5.449 2.815) 6.253 12.527 ( -7.685 -4.905 5.025) 10.410 12.797 ( -7.137 -3.451 0.288) 7.933 12.945 ( -2.590 -2.095 -0.124) 3.334 13.328 ( 0.321 -1.863 0.482) 1.951 13.393 ( -3.288 -3.724 -3.585) 6.127 13.514 ( 0.203 2.512 -3.595) 4.391 13.806 ( -0.909 4.076 9.153) 10.061 14.079 ( 6.304 -1.101 -0.510) 6.419 14.250 ( -4.211 -4.226 0.599) 5.996 14.453 ( -1.552 -3.663 -6.667) 7.763 16.043 ( 3.430 6.841 -0.221) 7.656 16.139 ( 0.678 3.726 1.040) 3.928 16.867 ( 3.915 -0.191 -0.522) 3.954 17.176 ( -3.220 -1.084 -0.027) 3.398 17.598 ( 1.903 2.646 -0.266) 3.271 17.679 ( -1.437 0.355 0.523) 1.570 20.291 ( -0.568 -11.091 1.788) 11.249 20.595 ( -0.289 -16.007 -1.719) 16.102 21.666 ( 1.724 -0.953 0.596) 2.058 21.755 ( -2.152 -1.799 0.765) 2.907 22.280 ( 1.212 -3.243 -0.937) 3.587 22.318 ( -1.045 -2.325 -0.569) 2.612 23.351 ( -6.184 -2.470 8.006) 10.413 23.546 ( 8.699 -0.311 -10.191) 13.403 24.527 ( -1.033 2.857 10.181) 10.625 24.932 ( 1.529 3.474 -9.638) 10.359 25.908 ( -4.593 10.611 8.181) 14.164 26.209 ( 0.707 7.710 -8.741) 11.677 26.452 ( 8.175 9.691 3.330) 13.109 26.858 ( -4.664 4.118 -0.555) 6.246 ======================= Grid point 132 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 19.771 19.481 0.548) 27.762 2.352 ( -5.025 7.490 -3.045) 9.520 2.556 ( 2.643 12.337 -2.159) 12.800 2.667 ( 3.848 3.284 -3.978) 6.436 2.915 ( -2.147 7.546 7.261) 10.690 3.284 ( -0.800 0.433 7.154) 7.212 3.479 ( -3.469 8.553 2.821) 9.651 3.766 ( -7.705 20.996 9.576) 24.329 4.157 ( 3.951 7.830 -16.950) 19.084 4.322 ( -0.184 10.087 0.438) 10.098 4.509 ( 8.828 -8.757 -4.132) 13.103 4.635 ( -3.134 -6.893 -0.708) 7.605 4.720 ( -0.063 11.760 -6.397) 13.388 5.092 ( -1.199 15.499 -4.130) 16.085 5.201 ( 7.251 5.637 16.487) 18.872 5.280 ( -6.868 -2.967 4.666) 8.817 5.500 ( -4.630 9.446 -16.612) 19.663 5.626 ( 4.474 -2.492 2.411) 5.660 5.945 ( -5.283 2.055 4.831) 7.448 6.088 ( -9.727 0.002 -3.937) 10.494 6.320 ( 0.766 -2.427 6.921) 7.374 6.360 ( 1.651 9.524 -2.466) 9.976 6.608 ( -3.379 1.264 4.156) 5.504 6.674 ( -2.127 -10.884 3.815) 11.728 6.754 ( 1.209 -13.792 -6.455) 15.275 6.967 ( -2.441 -1.033 4.422) 5.155 7.182 ( -2.818 -2.765 2.575) 4.713 7.371 ( 0.424 -13.925 16.496) 21.592 7.535 ( 0.135 4.970 2.705) 5.661 7.638 ( -1.755 4.576 -9.984) 11.122 7.892 ( 15.899 -5.415 0.397) 16.800 8.095 ( -2.650 7.629 -5.602) 9.829 8.136 ( 6.856 -2.179 -0.429) 7.207 8.255 ( -10.186 -3.086 -3.504) 11.205 8.455 ( 2.407 -1.154 1.417) 3.022 8.556 ( 1.867 1.860 -7.804) 8.237 8.764 ( -2.237 -0.729 3.991) 4.633 8.912 ( 0.490 -4.983 1.398) 5.199 9.210 ( 0.346 0.028 2.294) 2.320 9.294 ( -8.105 -3.415 -1.175) 8.874 9.814 ( 0.447 -4.328 6.779) 8.055 10.070 ( 1.747 -5.912 -3.859) 7.273 10.155 ( 5.078 -8.842 -7.107) 12.429 10.334 ( 4.965 -1.124 -7.691) 9.223 10.936 ( -1.256 -1.901 5.522) 5.974 11.237 ( -0.650 -5.368 -5.353) 7.609 11.736 ( 15.604 -9.746 3.209) 18.675 12.265 ( -5.882 -5.904 -3.999) 9.244 12.541 ( -5.129 -2.952 8.405) 10.279 12.772 ( -7.091 -2.403 -3.091) 8.100 12.991 ( 3.143 -2.732 6.903) 8.062 13.359 ( -0.430 -1.384 0.448) 1.517 13.429 ( -0.878 -3.329 -3.483) 4.898 13.479 ( -0.769 0.217 -2.850) 2.960 13.747 ( -1.344 2.317 6.289) 6.836 14.119 ( 3.493 3.112 -6.951) 8.378 14.268 ( -3.581 -3.458 6.032) 7.820 14.508 ( 1.818 -3.589 -4.939) 6.370 15.956 ( 2.257 6.921 0.985) 7.346 16.057 ( -2.262 4.973 0.481) 5.484 16.920 ( 4.768 -0.520 0.881) 4.876 17.161 ( -3.571 -1.419 -1.648) 4.181 17.571 ( 1.301 2.685 0.687) 3.061 17.672 ( -1.505 -1.270 -0.963) 2.192 20.424 ( 1.211 -3.428 4.930) 6.126 20.808 ( 0.471 -9.903 -5.494) 11.335 21.675 ( 0.911 1.693 1.249) 2.293 21.753 ( -1.429 -0.200 -0.392) 1.495 22.292 ( 0.449 -0.640 2.390) 2.515 22.457 ( 3.023 -9.326 -3.913) 10.556 23.350 ( -7.222 -3.747 9.510) 12.515 23.650 ( 11.767 -2.499 -11.426) 16.591 24.472 ( -6.255 1.912 11.515) 13.243 24.861 ( 2.279 4.725 -9.787) 11.104 25.698 ( -5.426 9.439 5.940) 12.402 26.050 ( -2.802 7.958 -8.226) 11.784 26.394 ( 7.742 7.968 6.196) 12.721 26.752 ( -4.836 2.620 -1.664) 5.746 ======================= Grid point 133 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 10.583 27.535 5.609) 30.027 2.032 ( -7.750 18.109 -14.566) 24.498 2.360 ( -5.815 13.083 4.395) 14.976 2.542 ( 9.615 18.868 1.286) 21.215 2.834 ( -2.689 2.533 2.568) 4.499 3.274 ( 1.638 4.085 6.117) 7.535 3.322 ( 2.340 12.690 5.295) 13.948 3.463 ( 0.965 3.904 10.056) 10.831 3.915 ( -4.927 17.148 -11.171) 21.051 4.106 ( 6.554 16.303 2.296) 17.720 4.381 ( 5.470 27.595 -4.620) 28.509 4.611 ( -4.250 10.632 -0.234) 11.453 4.737 ( -0.877 -3.250 -2.445) 4.160 4.839 ( 1.097 -9.262 -7.361) 11.882 5.106 ( 0.506 6.424 0.836) 6.498 5.220 ( -8.481 7.067 -7.765) 13.497 5.561 ( 2.992 1.216 11.197) 11.653 5.717 ( 2.078 -17.089 3.572) 17.581 5.924 ( 0.573 1.222 -3.444) 3.699 6.125 ( 2.755 -5.134 8.247) 10.097 6.218 ( -3.749 1.066 -2.882) 4.847 6.420 ( 1.416 -1.642 5.280) 5.708 6.525 ( 1.097 2.859 3.318) 4.515 6.697 ( -5.164 6.186 9.569) 12.510 6.967 ( -2.407 -9.453 -11.558) 15.124 7.023 ( 0.629 -7.410 -3.827) 8.364 7.243 ( -4.571 -7.447 -2.614) 9.121 7.403 ( -0.613 0.564 -10.159) 10.193 7.675 ( 3.730 -8.726 -0.371) 9.497 7.713 ( 0.420 -15.212 9.836) 18.120 7.877 ( -3.564 8.893 -1.695) 9.729 8.106 ( 6.600 -1.044 0.776) 6.727 8.146 ( -4.067 -1.950 -0.271) 4.518 8.238 ( -3.815 -4.125 1.775) 5.892 8.554 ( 7.617 -3.724 -0.018) 8.479 8.655 ( 7.942 -5.798 -7.407) 12.311 8.743 ( -4.905 -0.799 7.333) 8.858 8.962 ( -4.113 -2.824 -0.336) 5.000 9.221 ( 2.194 -0.267 5.540) 5.965 9.321 ( -1.168 -5.120 -2.378) 5.765 9.905 ( -1.868 -5.459 7.439) 9.415 10.089 ( -0.179 2.164 -0.842) 2.329 10.160 ( -0.159 4.594 -8.155) 9.361 10.552 ( 3.120 -14.239 -7.954) 16.606 11.011 ( 1.391 -5.853 6.812) 9.088 11.333 ( -0.147 -7.508 -7.811) 10.835 12.068 ( 11.073 -10.960 2.870) 15.842 12.261 ( -15.553 -7.911 -1.998) 17.563 12.564 ( -0.669 -2.160 5.950) 6.365 12.738 ( -1.032 -0.409 -4.995) 5.116 13.094 ( 3.917 -1.911 10.112) 11.011 13.356 ( 0.444 2.033 0.008) 2.081 13.441 ( -1.176 0.263 -0.480) 1.297 13.488 ( -0.343 -2.342 -4.644) 5.212 13.758 ( -0.202 -3.940 1.590) 4.254 14.042 ( -0.632 4.356 -7.401) 8.611 14.308 ( -1.094 -1.811 7.683) 7.969 14.575 ( 3.195 -1.912 -3.266) 4.953 15.872 ( 1.808 5.916 2.153) 6.550 15.947 ( -2.282 4.711 -0.660) 5.276 16.973 ( 3.605 0.176 2.924) 4.645 17.138 ( -2.877 -0.204 -3.431) 4.482 17.545 ( 0.352 1.436 2.194) 2.646 17.687 ( -0.692 -2.388 -3.512) 4.303 20.434 ( 1.482 5.930 7.996) 10.065 20.897 ( -1.548 -2.579 -10.900) 11.308 21.639 ( -0.207 3.032 1.584) 3.427 21.731 ( 0.440 1.923 -1.576) 2.525 22.325 ( -0.783 -2.197 6.034) 6.469 22.637 ( 3.198 -8.996 -8.012) 12.464 23.360 ( -10.323 -5.421 11.460) 16.349 23.842 ( 14.554 -6.916 -10.905) 19.457 24.366 ( -14.052 1.118 11.685) 18.310 24.808 ( 7.478 4.803 -7.964) 11.934 25.540 ( 1.455 6.612 5.724) 8.866 25.860 ( -6.428 7.038 -9.144) 13.209 26.378 ( 6.592 4.503 9.542) 12.442 26.668 ( -2.233 2.066 -3.772) 4.846 ======================= Grid point 134 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -6.588 20.062 -3.904) 21.474 1.669 ( 15.224 23.911 -10.293) 30.157 1.982 ( -12.222 11.311 3.002) 16.921 2.333 ( 14.498 25.561 11.259) 31.470 2.781 ( 7.155 6.039 5.801) 11.014 3.119 ( -6.051 7.301 -6.847) 11.696 3.240 ( 8.720 12.766 13.516) 20.535 3.522 ( 1.623 -0.996 -2.610) 3.231 3.614 ( 1.187 15.680 -5.903) 16.796 3.821 ( 20.623 28.197 27.629) 44.539 4.126 ( 7.289 4.864 -12.472) 15.243 4.458 ( 5.376 8.128 -4.301) 10.652 4.748 ( -3.480 7.613 -9.102) 12.366 4.837 ( -0.855 2.011 -5.957) 6.345 5.010 ( -5.065 -1.888 -3.726) 6.565 5.133 ( 1.857 1.355 -6.344) 6.747 5.612 ( 0.615 -5.948 11.560) 13.016 5.894 ( -8.097 -5.356 -3.233) 10.233 5.994 ( 3.761 0.803 12.511) 13.089 6.075 ( -2.460 6.291 -5.088) 8.457 6.287 ( 10.992 -2.247 10.001) 15.030 6.486 ( -2.179 -2.611 7.813) 8.521 6.555 ( 1.380 3.958 -2.168) 4.719 6.589 ( 4.132 -5.996 2.183) 7.602 6.937 ( -7.291 -1.052 -20.789) 22.056 7.142 ( 1.663 3.862 -9.538) 10.424 7.278 ( -3.030 -11.207 1.313) 11.684 7.454 ( 0.627 -2.513 -9.674) 10.014 7.727 ( -8.368 -3.487 1.915) 9.265 7.912 ( 0.560 -10.157 6.058) 11.840 7.937 ( -2.796 -10.511 7.857) 13.417 8.098 ( -8.914 -5.435 -0.048) 10.440 8.226 ( 0.994 -4.475 4.269) 6.264 8.298 ( 0.765 -4.328 1.661) 4.699 8.673 ( 4.470 -0.698 1.026) 4.639 8.716 ( -5.812 -4.239 -4.358) 8.410 8.826 ( 5.131 -5.357 1.529) 7.574 8.972 ( -0.995 -2.921 2.197) 3.788 9.270 ( 1.483 -0.861 4.134) 4.475 9.427 ( 8.958 -4.073 -4.635) 10.877 9.945 ( -10.930 -2.245 3.564) 11.713 9.999 ( 3.873 5.481 -2.402) 7.128 10.103 ( 2.779 3.548 -0.609) 4.547 10.739 ( -8.088 -12.669 -7.197) 16.664 11.178 ( 2.123 -9.860 7.962) 12.850 11.436 ( -3.230 -8.376 -9.779) 13.274 12.126 ( -16.865 -2.059 1.556) 17.061 12.362 ( -1.275 -10.273 5.003) 11.498 12.604 ( -2.731 -2.849 2.815) 4.848 12.794 ( 6.755 -4.594 -1.972) 8.404 13.151 ( 4.102 1.574 6.617) 7.943 13.296 ( -1.060 4.387 -0.776) 4.580 13.419 ( 0.578 1.439 0.226) 1.567 13.491 ( 0.551 2.372 -10.223) 10.509 13.854 ( -1.462 -7.644 1.868) 8.004 13.997 ( -0.616 -2.058 -3.988) 4.529 14.327 ( -2.633 -1.086 8.339) 8.812 14.612 ( 2.412 0.712 -1.906) 3.155 15.805 ( 1.142 4.027 2.488) 4.869 15.879 ( 2.463 2.865 -1.517) 4.071 16.987 ( -0.450 0.962 3.145) 3.319 17.097 ( -0.256 2.227 -3.194) 3.903 17.553 ( 0.226 -2.040 2.578) 3.295 17.722 ( -0.148 -3.238 -5.324) 6.233 20.270 ( 0.050 17.077 9.761) 19.670 20.779 ( -8.942 9.058 -17.653) 21.763 21.584 ( -0.395 3.298 1.423) 3.614 21.697 ( 1.320 2.836 -1.773) 3.596 22.366 ( -2.768 -3.381 8.143) 9.241 22.761 ( -1.079 -5.674 -10.480) 11.966 23.334 ( -15.283 -3.796 12.754) 20.264 24.115 ( 7.924 -10.432 -2.680) 13.372 24.205 ( -12.969 1.452 5.965) 14.349 24.862 ( 14.570 -0.453 -3.297) 14.945 25.608 ( 15.319 -3.308 4.170) 16.217 25.663 ( -4.306 5.216 -7.025) 9.753 26.386 ( -0.126 1.786 6.337) 6.585 26.660 ( 8.612 0.369 -2.367) 8.939 ======================= Grid point 138 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.456 0.000 -4.500) 5.126 1.910 ( 16.251 0.000 0.908) 16.276 2.371 ( 2.287 0.000 9.306) 9.583 2.790 ( -1.825 -0.000 -0.103) 1.828 3.191 ( 8.124 0.000 -4.920) 9.498 3.374 ( 12.053 0.000 -1.463) 12.141 3.442 ( 0.200 0.000 -11.324) 11.325 3.604 ( 13.566 0.000 16.820) 21.609 4.091 ( 9.072 0.000 5.071) 10.393 4.192 ( 10.997 0.000 1.614) 11.115 4.355 ( 29.809 0.000 -6.605) 30.532 4.660 ( 20.102 0.000 -4.832) 20.674 5.075 ( 3.427 0.000 1.603) 3.783 5.100 ( 4.117 0.000 3.307) 5.281 5.233 ( -10.140 -0.000 9.770) 14.081 5.384 ( -3.927 -0.000 0.705) 3.990 5.633 ( 12.226 0.000 -0.876) 12.257 5.813 ( 10.353 0.000 1.999) 10.544 5.925 ( 8.551 0.000 3.090) 9.092 6.402 ( -6.091 -0.000 3.597) 7.074 6.489 ( 5.655 0.000 -11.316) 12.650 6.574 ( 29.171 0.000 -9.262) 30.606 6.641 ( 5.618 0.000 13.703) 14.810 6.659 ( -7.715 -0.000 -24.707) 25.884 6.974 ( -1.479 -0.000 -1.811) 2.338 7.047 ( -5.759 -0.000 -14.461) 15.565 7.088 ( -2.379 -0.000 6.731) 7.139 7.277 ( -10.096 -0.000 -3.962) 10.846 7.585 ( -1.190 -0.000 1.491) 1.908 7.732 ( 1.733 0.000 6.966) 7.178 7.961 ( -0.391 -0.000 12.961) 12.966 8.212 ( -6.943 -0.000 -10.165) 12.309 8.370 ( 1.813 0.000 2.759) 3.301 8.401 ( -2.085 -0.000 1.629) 2.646 8.494 ( -3.503 -0.000 -10.410) 10.983 8.615 ( -12.519 -0.000 11.870) 17.252 8.847 ( 0.107 0.000 -2.558) 2.560 8.958 ( -10.480 -0.000 3.512) 11.053 9.286 ( -13.305 -0.000 -10.426) 16.903 9.334 ( -3.419 -0.000 5.862) 6.786 9.665 ( 2.757 0.000 4.411) 5.202 9.874 ( -3.855 -0.000 -15.827) 16.290 10.270 ( -15.384 -0.000 1.842) 15.494 10.284 ( -11.580 -0.000 18.221) 21.589 11.083 ( -5.533 -0.000 -4.516) 7.142 11.108 ( 0.303 0.000 9.325) 9.330 11.916 ( -8.818 -0.000 1.016) 8.876 12.039 ( -16.587 -0.000 4.941) 17.308 12.188 ( -18.370 -0.000 -6.222) 19.395 12.683 ( -4.808 -0.000 -10.815) 11.835 13.013 ( -4.179 -0.000 -4.470) 6.119 13.191 ( -1.977 -0.000 8.905) 9.122 13.372 ( 3.241 0.000 2.338) 3.997 13.694 ( 4.299 0.000 -3.569) 5.587 13.734 ( -3.774 -0.000 1.902) 4.226 13.913 ( 3.510 0.000 3.756) 5.141 14.253 ( -2.288 -0.000 -3.151) 3.894 14.270 ( -3.121 -0.000 1.051) 3.293 16.210 ( 6.809 0.000 0.301) 6.816 16.249 ( 5.433 0.000 -2.394) 5.937 16.830 ( 1.248 0.000 0.603) 1.386 17.175 ( 2.679 0.000 0.845) 2.809 17.939 ( -0.910 -0.000 -0.282) 0.953 17.974 ( -0.265 -0.000 -0.700) 0.748 19.244 ( 0.471 0.000 -0.019) 0.471 19.302 ( 2.469 0.000 1.511) 2.894 21.518 ( 0.626 0.000 1.659) 1.773 21.635 ( 0.849 0.000 -1.788) 1.979 22.190 ( -8.713 -0.000 8.866) 12.431 22.542 ( -4.510 -0.000 -4.970) 6.712 23.405 ( -10.927 -0.000 5.763) 12.354 23.433 ( 8.457 0.000 -11.234) 14.062 24.612 ( -1.615 -0.000 19.504) 19.571 25.004 ( 8.850 0.000 -19.057) 21.012 26.350 ( 10.131 0.000 -9.464) 13.864 26.466 ( 2.342 0.000 24.011) 24.125 26.762 ( 6.215 0.000 -3.812) 7.291 27.407 ( -7.111 -0.000 -9.133) 11.575 ======================= Grid point 139 (60/117) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 12.013 -4.783 -0.458) 12.938 2.262 ( 8.032 -19.756 2.502) 21.472 2.405 ( 0.888 -1.436 5.893) 6.130 2.841 ( -3.621 -8.543 0.859) 9.319 3.137 ( -2.761 7.159 -7.532) 10.752 3.369 ( 6.704 6.187 -5.415) 10.608 3.405 ( 5.426 8.037 -0.999) 9.748 3.761 ( 13.106 1.703 14.944) 19.950 4.146 ( 2.415 0.277 1.141) 2.685 4.371 ( 13.030 -4.324 1.300) 13.791 4.596 ( 23.746 5.059 -10.491) 26.449 4.855 ( 14.250 0.498 1.959) 14.392 5.083 ( 6.072 2.814 -0.570) 6.717 5.177 ( 3.774 -2.255 11.789) 12.582 5.212 ( -0.229 -2.582 1.112) 2.821 5.291 ( -0.960 4.978 -2.696) 5.742 5.745 ( -2.049 -0.566 3.141) 3.793 5.833 ( -7.840 -4.004 -0.044) 8.804 5.990 ( 1.452 4.268 4.206) 6.166 6.314 ( -4.916 -0.192 5.778) 7.589 6.427 ( -2.049 5.914 -20.164) 21.113 6.531 ( 10.132 4.396 -4.430) 11.900 6.729 ( 4.773 -2.249 14.750) 15.666 6.928 ( -4.382 6.101 -13.718) 15.640 6.981 ( 8.713 -3.999 -0.193) 9.588 7.026 ( 22.640 -8.399 -10.976) 26.526 7.164 ( 6.325 -1.331 -4.822) 8.064 7.192 ( -3.889 0.141 -3.318) 5.114 7.499 ( -1.546 7.602 -0.278) 7.763 7.684 ( -0.802 7.719 9.434) 12.216 7.993 ( 0.021 1.126 0.378) 1.188 8.058 ( -5.633 3.609 -2.241) 7.055 8.319 ( -14.281 -0.518 7.165) 15.986 8.383 ( 4.511 2.163 5.457) 7.403 8.508 ( 3.371 -1.569 -6.561) 7.541 8.601 ( 2.620 -2.119 1.213) 3.581 8.783 ( -6.561 3.342 0.190) 7.365 8.846 ( -10.158 1.842 7.982) 13.049 9.152 ( -11.187 -2.782 -11.088) 15.995 9.358 ( -4.300 -5.011 3.073) 7.283 9.612 ( -3.934 4.283 0.477) 5.835 9.813 ( -15.789 -5.400 -6.063) 17.754 10.064 ( -7.832 6.390 10.616) 14.659 10.267 ( -3.815 -3.835 0.026) 5.410 11.020 ( -1.048 3.551 -4.024) 5.468 11.180 ( 2.848 -3.387 8.507) 9.589 11.589 ( -10.016 16.331 1.059) 19.187 11.885 ( -12.549 -4.358 3.756) 13.804 12.291 ( -18.910 -20.990 -1.283) 28.282 12.601 ( -2.037 2.132 -12.309) 12.657 12.938 ( -1.830 2.676 -3.259) 4.597 13.232 ( -4.709 -5.536 4.341) 8.466 13.387 ( 3.066 2.433 2.541) 4.667 13.663 ( -0.464 2.655 -1.518) 3.093 13.765 ( 0.776 -2.813 1.925) 3.496 13.982 ( 3.633 -2.592 2.269) 5.006 14.173 ( -1.489 3.617 1.165) 4.081 14.301 ( -2.892 -3.974 -3.656) 6.125 16.253 ( 6.352 2.698 -0.165) 6.903 16.274 ( 4.498 2.358 -2.042) 5.474 16.851 ( 2.198 0.082 2.035) 2.997 17.191 ( 0.917 0.550 0.228) 1.093 17.865 ( -0.151 6.572 -0.386) 6.585 17.880 ( -0.022 8.578 -0.361) 8.585 19.396 ( -0.273 -16.536 -0.014) 16.538 19.517 ( -0.183 -19.993 0.934) 20.015 21.539 ( 0.746 -1.352 1.571) 2.203 21.653 ( 0.586 -1.501 -1.645) 2.302 22.131 ( -6.663 -0.911 7.249) 9.888 22.465 ( -5.137 1.696 -5.395) 7.640 23.331 ( -6.793 -0.544 6.169) 9.192 23.496 ( 8.162 0.234 -11.985) 14.502 24.615 ( -3.284 0.793 19.539) 19.829 25.061 ( 10.893 1.868 -17.746) 20.906 26.414 ( 7.453 4.696 1.026) 8.868 26.457 ( 0.755 4.044 9.299) 10.168 26.786 ( 5.804 3.709 -2.379) 7.287 27.253 ( -7.736 6.302 -5.296) 11.296 ======================= Grid point 140 (61/117) ======================= q-point: ( 0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 12.054 -6.315 6.275) 14.985 2.475 ( 0.925 -3.981 1.073) 4.225 2.688 ( 6.279 -22.105 6.284) 23.823 2.908 ( 0.704 8.530 -4.886) 9.855 3.016 ( -4.077 -9.607 -5.925) 12.001 3.254 ( 1.093 6.962 -1.780) 7.268 3.373 ( 6.157 6.765 1.741) 9.312 3.860 ( 6.630 1.366 5.204) 8.538 4.121 ( -2.772 -0.002 1.965) 3.398 4.587 ( 17.132 0.142 10.115) 19.896 4.679 ( 13.865 5.409 -11.575) 18.854 4.901 ( 10.115 8.882 3.954) 14.030 5.023 ( -4.339 7.450 -9.101) 12.536 5.132 ( 3.292 -1.001 -0.448) 3.470 5.262 ( 3.764 4.114 1.488) 5.771 5.442 ( 4.762 4.658 6.650) 9.413 5.562 ( -3.481 -3.302 4.169) 6.356 5.791 ( -15.627 -9.015 -7.618) 19.583 5.988 ( -1.232 -0.093 6.694) 6.807 6.201 ( -4.887 5.656 -13.982) 15.855 6.360 ( -3.651 -1.522 0.706) 4.018 6.588 ( 0.910 -1.691 6.422) 6.702 6.713 ( -2.133 10.146 -13.904) 17.344 6.862 ( 7.766 -1.750 13.793) 15.925 7.022 ( -12.402 12.081 5.738) 18.239 7.100 ( 2.725 10.819 -5.200) 12.309 7.215 ( 3.466 2.165 -2.964) 5.049 7.294 ( 19.525 -2.960 2.650) 19.925 7.417 ( 13.525 0.070 -2.464) 13.748 7.555 ( 1.363 8.916 -1.061) 9.082 7.940 ( -0.043 -3.200 -12.723) 13.119 8.027 ( 1.945 3.420 3.874) 5.522 8.230 ( -10.590 -0.940 4.732) 11.637 8.431 ( -0.368 -0.505 6.753) 6.782 8.467 ( -5.268 4.212 1.770) 6.974 8.658 ( -3.780 1.285 1.642) 4.317 8.685 ( -0.346 2.582 1.071) 2.816 8.788 ( 2.774 -7.838 -0.894) 8.362 9.078 ( -8.320 -2.651 -4.564) 9.853 9.434 ( -0.435 -6.655 -0.232) 6.673 9.497 ( -4.717 4.932 -4.001) 7.911 9.693 ( -16.253 -3.613 -0.859) 16.672 9.981 ( -3.297 -0.527 6.645) 7.436 10.321 ( 2.839 -2.618 -5.166) 6.450 10.931 ( -1.406 3.475 -1.803) 4.160 11.293 ( 1.713 3.777 5.828) 7.153 11.307 ( -2.108 0.777 1.201) 2.547 11.929 ( -5.927 -9.949 8.603) 14.427 12.359 ( -18.399 -10.322 -2.921) 21.298 12.589 ( -0.597 -5.249 -8.231) 9.780 12.897 ( 1.070 0.929 -2.724) 3.070 13.255 ( -7.787 -4.687 -3.143) 9.617 13.371 ( 2.415 3.245 2.671) 4.847 13.612 ( -0.542 2.626 -1.949) 3.315 13.840 ( 2.116 -3.030 7.722) 8.561 14.063 ( 4.105 -0.870 -0.774) 4.267 14.117 ( -2.196 -0.006 3.172) 3.858 14.323 ( -3.158 -3.642 -5.331) 7.187 16.244 ( 4.002 4.635 -1.258) 6.251 16.267 ( 4.343 3.630 -0.194) 5.663 16.877 ( 3.138 0.458 1.673) 3.586 17.174 ( -1.627 0.985 0.006) 1.902 17.738 ( 0.871 7.232 0.620) 7.311 17.768 ( -0.321 4.953 -0.902) 5.045 19.716 ( -0.774 -20.878 0.718) 20.905 19.886 ( -1.721 -24.118 -0.174) 24.180 21.584 ( 1.061 -2.688 1.335) 3.184 21.684 ( -0.340 -2.070 -0.961) 2.307 22.121 ( -3.695 -3.072 5.025) 6.952 22.377 ( -3.374 2.146 -4.687) 6.161 23.298 ( -4.855 -0.974 6.488) 8.162 23.551 ( 8.115 0.335 -12.561) 14.958 24.590 ( -5.455 1.240 18.672) 19.492 25.086 ( 10.463 4.507 -16.301) 19.888 26.283 ( -5.334 10.205 14.792) 18.746 26.456 ( 9.261 6.079 -9.438) 14.554 26.753 ( 5.858 6.796 -0.373) 8.980 27.054 ( -7.047 7.006 -1.716) 10.084 ======================= Grid point 141 (62/117) ======================= q-point: ( 0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 8.363 0.288 7.570) 11.284 2.498 ( -0.561 1.963 -1.151) 2.343 2.764 ( 4.916 6.478 -3.404) 8.816 2.995 ( 8.568 10.236 -1.340) 13.415 3.140 ( -3.091 -11.303 2.288) 11.939 3.283 ( 2.145 7.305 3.221) 8.267 3.316 ( -1.448 -16.305 2.182) 16.514 3.912 ( -3.978 -9.158 -5.173) 11.245 4.154 ( 5.545 -0.310 3.451) 6.538 4.529 ( -4.963 11.751 3.083) 13.123 4.698 ( 4.003 11.596 -0.204) 12.270 4.795 ( 11.661 13.959 2.724) 18.392 4.950 ( 6.226 0.554 -3.876) 7.355 5.032 ( -5.566 9.859 -3.034) 11.721 5.317 ( 8.192 -10.472 -2.755) 13.579 5.334 ( 3.339 0.818 2.353) 4.166 5.763 ( -11.257 -3.696 -5.541) 13.080 5.808 ( -7.214 1.675 2.234) 7.736 5.939 ( 3.473 -5.312 -6.129) 8.823 6.131 ( 4.419 2.462 -4.468) 6.749 6.248 ( -6.428 2.944 0.486) 7.087 6.437 ( -10.064 13.780 -7.490) 18.635 6.639 ( -2.239 -0.506 10.690) 10.934 6.696 ( -5.554 9.640 7.080) 13.187 6.895 ( 1.517 9.140 8.303) 12.441 7.011 ( 6.954 -0.856 4.238) 8.189 7.166 ( 2.432 3.238 0.379) 4.067 7.226 ( -3.483 16.316 0.365) 16.688 7.565 ( 12.303 -7.697 -5.449) 15.502 7.776 ( 14.008 -7.175 -5.562) 16.693 7.937 ( 7.126 7.219 4.355) 11.039 7.966 ( -5.232 2.278 -7.503) 9.427 8.092 ( -13.533 -0.332 6.489) 15.012 8.320 ( -12.599 -0.437 -1.688) 12.719 8.392 ( -1.091 3.996 8.804) 9.730 8.622 ( -0.725 -2.329 4.218) 4.873 8.720 ( 3.847 -1.141 1.500) 4.283 8.978 ( -2.470 -2.070 1.587) 3.592 9.082 ( 5.992 -2.763 -12.572) 14.199 9.342 ( -1.472 5.029 -7.163) 8.875 9.583 ( 2.747 -9.696 -0.916) 10.119 9.645 ( -9.312 -8.774 -2.481) 13.032 10.015 ( 0.285 -3.268 5.364) 6.287 10.367 ( 3.140 -0.145 -6.090) 6.854 10.894 ( -1.079 -0.177 2.190) 2.448 11.158 ( -3.930 1.619 -3.440) 5.468 11.477 ( 8.616 -6.086 9.195) 13.994 12.055 ( -5.618 -8.079 0.725) 9.867 12.349 ( -8.546 -8.364 3.497) 12.458 12.660 ( -1.672 -4.636 -3.656) 6.136 12.919 ( 2.506 -1.374 -0.499) 2.901 13.243 ( -6.702 -5.201 -7.293) 11.187 13.352 ( 1.294 1.544 2.664) 3.340 13.553 ( -0.637 3.029 -3.906) 4.984 13.883 ( 0.008 2.999 10.595) 11.011 14.102 ( 3.328 -2.775 1.922) 4.740 14.151 ( -1.390 -2.658 -1.466) 3.339 14.355 ( -1.191 -4.747 -5.214) 7.151 16.185 ( 2.272 6.116 -0.056) 6.525 16.229 ( 1.775 4.902 -0.281) 5.221 16.910 ( 4.170 0.199 1.432) 4.414 17.131 ( -3.649 0.475 -0.964) 3.804 17.664 ( 1.072 3.181 0.619) 3.414 17.694 ( -0.728 3.251 -0.515) 3.371 20.046 ( 0.197 -18.069 2.550) 18.249 20.257 ( -1.624 -22.072 -2.139) 22.235 21.651 ( 1.501 -3.246 0.977) 3.708 21.704 ( -1.547 -1.489 0.166) 2.153 22.181 ( -0.946 -6.143 2.117) 6.566 22.316 ( -0.913 1.521 -3.058) 3.535 23.281 ( -4.309 -1.107 6.551) 7.918 23.611 ( 8.651 -0.331 -13.041) 15.653 24.528 ( -8.680 1.650 17.495) 19.599 25.065 ( 9.403 6.573 -14.562) 18.538 26.062 ( -6.439 11.337 11.005) 17.062 26.376 ( 5.348 10.379 -8.808) 14.625 26.688 ( 6.071 8.575 2.124) 10.719 26.883 ( -5.776 5.113 -0.806) 7.756 ======================= Grid point 142 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 6.858 3.724 6.387) 10.084 2.419 ( -1.671 5.948 -3.987) 7.353 2.774 ( 10.454 2.694 -2.653) 11.117 2.808 ( 0.503 14.755 -2.682) 15.005 3.044 ( -7.044 8.276 3.556) 11.435 3.243 ( -0.656 2.040 4.831) 5.285 3.534 ( -1.399 -2.525 5.967) 6.629 4.086 ( -1.237 -13.397 -7.566) 15.436 4.113 ( -3.044 12.680 2.545) 13.286 4.424 ( 3.270 -4.350 7.351) 9.146 4.456 ( -7.417 6.560 -6.132) 11.647 4.630 ( 8.912 13.852 -6.289) 17.631 4.871 ( -1.270 7.884 -0.306) 7.991 5.133 ( 6.650 -8.131 6.159) 12.177 5.302 ( -5.967 9.372 0.959) 11.151 5.508 ( 1.853 13.491 4.045) 14.205 5.592 ( -3.828 6.091 -9.337) 11.787 5.659 ( 11.957 -10.364 -0.799) 15.844 5.888 ( -2.913 7.770 -10.584) 13.449 6.064 ( -9.409 2.867 -6.927) 12.030 6.266 ( 1.129 2.622 4.096) 4.993 6.435 ( 3.725 -12.218 0.481) 12.782 6.460 ( -3.693 0.065 1.742) 4.084 6.678 ( -0.659 16.515 -7.422) 18.118 6.692 ( -4.594 -2.215 13.547) 14.475 7.005 ( 2.780 4.375 8.390) 9.862 7.152 ( -0.058 0.372 6.916) 6.926 7.207 ( 4.298 -7.617 12.816) 15.516 7.628 ( -9.437 8.971 -2.715) 13.300 7.684 ( -3.566 2.307 -8.743) 9.720 7.985 ( 14.768 -1.025 2.900) 15.085 8.001 ( -9.300 -5.206 2.557) 10.961 8.131 ( -0.245 -2.039 -4.464) 4.914 8.216 ( 3.504 -1.605 -3.219) 5.022 8.409 ( 1.558 -3.997 1.705) 4.616 8.647 ( 0.114 3.121 -1.958) 3.686 8.760 ( 1.006 0.313 4.270) 4.398 8.903 ( 1.169 4.092 -2.224) 4.802 9.109 ( -3.224 -4.352 -3.321) 6.354 9.282 ( -0.868 2.205 -2.332) 3.325 9.663 ( -7.373 -7.926 2.764) 11.172 9.935 ( 10.685 -16.031 -8.309) 20.981 10.088 ( 1.147 -3.281 2.021) 4.020 10.357 ( 0.256 1.861 -7.633) 7.861 10.910 ( 0.068 -1.247 5.423) 5.565 11.147 ( -0.505 -3.669 -5.673) 6.775 11.698 ( 5.133 -9.165 10.621) 14.938 12.049 ( -13.660 -5.532 -7.036) 16.331 12.485 ( 5.097 -5.672 8.024) 11.070 12.698 ( 0.381 -1.972 -2.462) 3.178 12.978 ( 1.931 -3.024 4.354) 5.641 13.287 ( -1.256 -5.843 -5.603) 8.192 13.362 ( 0.033 -1.789 0.142) 1.795 13.495 ( -0.081 1.993 -5.071) 5.449 13.808 ( -2.416 5.282 9.197) 10.877 14.134 ( -4.665 -0.116 -3.124) 5.616 14.213 ( 4.411 -3.499 2.543) 6.178 14.442 ( 2.304 -5.623 -4.365) 7.482 16.092 ( 0.534 6.708 1.203) 6.836 16.139 ( -0.482 6.238 -0.448) 6.272 16.960 ( 3.767 -0.418 2.429) 4.501 17.094 ( -3.315 -1.170 -2.823) 4.509 17.636 ( -0.125 3.106 0.158) 3.112 17.645 ( -0.045 0.310 -0.086) 0.325 20.316 ( 1.448 -12.016 4.906) 13.059 20.563 ( -1.610 -16.875 -4.717) 17.596 21.700 ( -1.113 0.266 1.006) 1.524 21.719 ( 0.931 -2.679 0.389) 2.863 22.295 ( 0.188 0.357 -0.525) 0.663 22.307 ( 0.209 -8.991 -1.038) 9.053 23.270 ( -4.078 -1.218 6.344) 7.639 23.699 ( 9.709 -2.200 -13.201) 16.534 24.420 ( -12.237 2.125 15.555) 19.905 25.016 ( 8.644 7.170 -11.486) 16.064 25.836 ( -4.446 10.437 8.475) 14.161 26.201 ( 1.369 12.479 -7.872) 14.818 26.596 ( 1.978 8.064 5.247) 9.822 26.768 ( -1.134 3.941 -2.512) 4.809 ======================= Grid point 143 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -14.030 19.671 1.483) 24.207 2.292 ( 9.843 8.878 -4.279) 13.929 2.494 ( -10.891 15.394 -1.935) 18.956 2.799 ( 2.235 1.438 -5.902) 6.472 2.977 ( 12.725 6.717 7.694) 16.317 3.186 ( -0.095 4.150 5.146) 6.612 3.488 ( -1.398 2.566 6.505) 7.131 3.813 ( 0.894 18.330 12.740) 22.341 4.117 ( -0.794 11.900 -17.064) 20.819 4.369 ( 3.926 6.754 -1.142) 7.896 4.484 ( -4.749 -11.220 -7.305) 14.205 4.642 ( -0.542 -2.847 -2.718) 3.973 4.788 ( 6.402 1.550 6.411) 9.192 4.870 ( -6.489 18.409 -4.211) 19.968 5.274 ( -2.402 2.208 -9.607) 10.146 5.437 ( 8.167 8.200 3.727) 12.158 5.517 ( -2.315 22.241 2.314) 22.480 5.670 ( 16.861 -6.939 10.174) 20.879 5.849 ( -10.829 -1.403 -4.683) 11.881 6.065 ( 6.732 -8.830 2.249) 11.329 6.223 ( -5.793 4.219 -0.577) 7.190 6.355 ( 3.893 -2.251 -4.829) 6.599 6.608 ( -2.214 -5.074 3.965) 6.809 6.674 ( -3.042 -2.798 9.423) 10.290 6.784 ( 3.314 -11.611 -7.454) 14.190 6.992 ( 4.471 3.713 5.103) 7.734 7.114 ( -4.385 0.685 8.690) 9.757 7.393 ( -5.867 5.091 -9.199) 12.040 7.462 ( -1.012 -14.397 15.090) 20.881 7.619 ( -3.195 -1.567 -2.708) 4.472 7.919 ( -9.292 -0.754 0.787) 9.356 8.049 ( -5.288 3.613 -5.296) 8.310 8.199 ( 10.475 -1.452 2.231) 10.808 8.277 ( 6.837 5.298 -5.147) 10.065 8.497 ( 0.947 -3.787 -8.566) 9.414 8.628 ( 4.973 -4.404 -1.975) 6.930 8.741 ( -2.654 1.164 3.737) 4.729 8.913 ( 0.713 -2.247 2.773) 3.640 9.198 ( 2.144 -4.666 4.134) 6.592 9.265 ( 1.836 -2.851 -2.231) 4.060 9.719 ( -8.459 -7.375 3.474) 11.748 10.139 ( 1.838 -1.667 -1.591) 2.948 10.172 ( 0.561 -0.953 -5.474) 5.585 10.347 ( -0.922 -7.270 -8.516) 11.236 10.958 ( 0.544 -3.176 6.635) 7.376 11.226 ( 1.978 -5.377 -7.246) 9.237 11.889 ( -12.096 -11.748 5.402) 17.706 11.999 ( -5.613 -6.011 -1.879) 8.436 12.601 ( 6.795 0.660 5.212) 8.589 12.731 ( 2.453 -0.912 -2.977) 3.964 13.095 ( 4.504 -4.828 8.043) 10.406 13.348 ( 0.067 -2.250 -0.981) 2.456 13.410 ( 0.043 -3.918 -3.577) 5.305 13.473 ( 1.168 1.167 -3.048) 3.466 13.731 ( -2.374 1.510 5.977) 6.607 14.061 ( -4.229 2.021 -4.245) 6.324 14.295 ( 2.081 -1.480 2.659) 3.687 14.553 ( 3.813 -4.249 -3.984) 6.962 15.978 ( -1.986 6.091 1.164) 6.512 16.035 ( 1.429 6.034 0.300) 6.208 16.988 ( -1.489 -0.584 2.378) 2.866 17.102 ( 1.349 -1.492 -3.141) 3.730 17.585 ( -0.876 2.332 1.106) 2.725 17.650 ( 0.590 -0.671 -1.375) 1.640 20.478 ( 1.491 -3.810 6.966) 8.078 20.748 ( -3.449 -9.249 -7.493) 12.392 21.674 ( -1.285 1.440 1.143) 2.243 21.757 ( 1.745 -0.040 -0.314) 1.773 22.299 ( -0.727 -0.713 2.405) 2.612 22.463 ( -1.215 -10.224 -4.024) 11.054 23.261 ( -3.742 -1.100 5.788) 6.980 23.838 ( 9.198 -5.378 -11.253) 15.497 24.271 ( -13.362 2.585 11.642) 17.910 24.975 ( 8.342 5.789 -6.591) 12.105 25.688 ( 2.224 6.568 7.021) 9.869 25.974 ( -1.397 12.476 -7.304) 14.525 26.493 ( -2.498 4.909 5.486) 7.774 26.719 ( 4.488 3.304 -2.646) 6.169 ======================= Grid point 144 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -18.380 20.888 -9.136) 29.285 2.111 ( -7.938 14.808 1.745) 16.892 2.233 ( 19.494 18.124 -1.865) 26.682 2.795 ( 5.383 5.119 -2.364) 7.796 2.958 ( 9.713 12.236 13.500) 20.647 3.098 ( -1.844 3.023 5.778) 6.776 3.468 ( -4.019 4.634 -0.624) 6.166 3.631 ( 4.520 10.375 -1.069) 11.367 3.826 ( 4.519 12.680 -7.087) 15.213 4.298 ( 15.049 11.331 -5.169) 19.534 4.498 ( -2.391 8.915 -10.896) 14.280 4.612 ( 4.952 7.762 1.798) 9.381 4.708 ( -3.099 -15.928 -5.476) 17.125 4.900 ( 7.583 7.576 5.231) 11.927 5.086 ( 4.341 19.685 4.567) 20.669 5.202 ( 4.484 9.103 -0.101) 10.148 5.434 ( -7.017 -6.150 5.156) 10.661 5.777 ( -8.494 -2.246 0.214) 8.788 6.026 ( 13.738 -10.534 13.173) 21.754 6.090 ( 1.338 1.531 -11.015) 11.201 6.266 ( -0.743 -5.923 3.153) 6.751 6.500 ( 7.722 -2.503 5.110) 9.592 6.588 ( -5.651 2.887 6.716) 9.240 6.695 ( 5.367 2.383 -1.028) 5.961 6.837 ( -3.267 0.827 -8.641) 9.275 7.037 ( 0.042 -6.268 2.726) 6.836 7.163 ( -2.030 -5.765 -1.628) 6.325 7.340 ( -4.307 -6.692 -7.031) 10.619 7.633 ( -11.006 -6.092 2.763) 12.880 7.680 ( -8.518 -12.626 11.122) 18.859 7.847 ( 4.097 11.266 -11.695) 16.748 7.910 ( -4.746 -6.607 0.355) 8.143 8.276 ( 3.825 -0.203 1.557) 4.135 8.276 ( 5.927 1.988 3.274) 7.057 8.548 ( -4.458 -5.037 -6.023) 9.029 8.705 ( -0.058 -0.048 -5.835) 5.835 8.777 ( 0.589 -7.066 4.244) 8.264 8.968 ( 1.984 -1.021 6.104) 6.499 9.274 ( 3.156 -1.610 7.355) 8.164 9.427 ( 9.375 -7.009 -7.144) 13.713 9.738 ( -11.973 -6.354 6.021) 14.832 10.089 ( -2.022 4.007 -5.987) 7.483 10.168 ( 2.670 0.537 -4.201) 5.007 10.440 ( -9.678 -9.021 -4.847) 14.090 11.060 ( 0.426 -6.948 6.279) 9.375 11.310 ( 0.576 -4.096 -7.485) 8.552 11.832 ( -21.435 -7.302 -5.281) 23.252 12.149 ( -2.545 -10.428 8.652) 13.787 12.641 ( 4.304 2.236 5.350) 7.221 12.779 ( 2.745 -2.595 -1.886) 4.222 13.209 ( 4.723 -1.156 4.488) 6.617 13.347 ( -0.664 1.991 -2.170) 3.019 13.448 ( -0.248 1.123 0.888) 1.453 13.476 ( 1.841 -2.151 -2.333) 3.669 13.745 ( -1.254 -3.836 1.718) 4.386 13.988 ( -1.783 1.459 -3.560) 4.241 14.315 ( -0.626 0.525 3.652) 3.743 14.630 ( 2.779 -1.380 -3.915) 4.995 15.876 ( -0.629 3.867 0.537) 3.955 15.976 ( 3.680 4.427 0.983) 5.841 16.963 ( -4.669 -0.280 -0.567) 4.712 17.135 ( 3.124 0.527 -0.246) 3.177 17.553 ( -0.403 0.810 1.931) 2.132 17.673 ( 0.618 -1.705 -2.791) 3.329 20.480 ( -0.316 6.529 7.773) 10.156 20.746 ( -7.851 1.484 -9.745) 12.602 21.632 ( -0.617 2.581 0.971) 2.826 21.755 ( 1.773 2.222 -0.832) 2.961 22.308 ( -2.526 -1.566 4.699) 5.560 22.582 ( -5.240 -8.347 -5.406) 11.241 23.250 ( -2.201 -0.254 3.985) 4.560 23.965 ( -7.652 -4.520 4.350) 9.895 24.168 ( 1.536 -1.451 -3.471) 4.064 24.985 ( 8.199 1.869 -2.308) 8.720 25.707 ( 6.506 2.995 1.506) 7.319 25.780 ( 6.070 4.989 -0.652) 7.884 26.403 ( -3.950 2.594 0.906) 4.811 26.751 ( 8.384 0.145 -0.370) 8.393 ======================= Grid point 149 (66/117) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 7.866 0.000 5.615) 9.665 2.166 ( 8.908 0.000 -2.983) 9.394 2.394 ( -2.752 -0.000 9.063) 9.472 2.754 ( -0.687 -0.000 2.922) 3.002 3.172 ( -2.526 -0.000 0.962) 2.703 3.430 ( -0.144 -0.000 -7.516) 7.517 3.517 ( 3.888 0.000 -0.607) 3.935 3.902 ( 3.953 0.000 6.361) 7.489 4.124 ( -1.127 -0.000 3.293) 3.481 4.546 ( 23.660 0.000 -0.724) 23.671 4.904 ( 19.743 0.000 -6.370) 20.746 4.999 ( 17.158 0.000 6.491) 18.345 5.173 ( -0.097 -0.000 8.859) 8.860 5.182 ( 2.533 0.000 1.019) 2.731 5.195 ( 2.617 0.000 -2.814) 3.843 5.296 ( -4.935 -0.000 -4.370) 6.591 5.655 ( -12.622 -0.000 -6.052) 13.998 5.730 ( -3.807 -0.000 10.330) 11.010 6.084 ( 2.503 0.000 -0.461) 2.545 6.206 ( -14.634 -0.000 6.950) 16.200 6.422 ( -6.304 -0.000 -18.449) 19.497 6.609 ( 0.249 0.000 -2.948) 2.958 6.753 ( 5.285 0.000 12.222) 13.315 6.885 ( -3.914 -0.000 -13.473) 14.030 7.089 ( -2.068 -0.000 -11.196) 11.386 7.127 ( 20.855 0.000 1.696) 20.924 7.286 ( 15.469 0.000 -1.125) 15.510 7.297 ( 34.507 0.000 -10.472) 36.061 7.559 ( -2.565 -0.000 -1.920) 3.204 7.771 ( -0.106 -0.000 10.812) 10.813 7.990 ( -9.097 -0.000 3.171) 9.634 8.033 ( 1.447 0.000 2.787) 3.141 8.168 ( -11.435 -0.000 -1.125) 11.490 8.487 ( 5.621 0.000 0.482) 5.641 8.517 ( 0.694 0.000 4.755) 4.805 8.630 ( 8.531 0.000 -4.927) 9.852 8.733 ( -5.604 -0.000 4.950) 7.477 8.813 ( -7.908 -0.000 2.898) 8.422 8.990 ( -12.455 -0.000 -8.415) 15.032 9.229 ( -9.049 -0.000 5.354) 10.514 9.475 ( -22.164 -0.000 -3.775) 22.483 9.681 ( -2.655 -0.000 0.279) 2.669 10.055 ( -14.258 -0.000 13.304) 19.501 10.182 ( 2.785 0.000 -3.905) 4.796 11.098 ( 7.643 0.000 -2.044) 7.912 11.207 ( 4.204 0.000 9.754) 10.621 11.708 ( -13.756 -0.000 -1.566) 13.845 11.766 ( -7.236 -0.000 5.213) 8.918 11.791 ( -16.724 -0.000 -4.260) 17.258 12.571 ( -2.040 -0.000 -15.157) 15.293 12.941 ( -0.826 -0.000 -3.811) 3.900 13.129 ( -6.664 -0.000 3.027) 7.320 13.441 ( 2.177 0.000 3.628) 4.231 13.683 ( -2.069 -0.000 7.818) 8.087 13.741 ( 1.739 0.000 -4.594) 4.912 14.001 ( 3.736 0.000 0.742) 3.809 14.206 ( -1.631 -0.000 -1.731) 2.378 14.235 ( -0.536 -0.000 -0.409) 0.675 16.327 ( 3.112 0.000 -2.090) 3.749 16.334 ( 4.831 0.000 -0.482) 4.855 16.881 ( 2.264 0.000 4.549) 5.082 17.204 ( 0.401 0.000 -1.785) 1.830 17.919 ( -0.766 -0.000 0.119) 0.775 17.964 ( -0.346 -0.000 -0.724) 0.803 19.251 ( 0.208 0.000 0.897) 0.921 19.340 ( 0.794 0.000 0.176) 0.813 21.536 ( 0.458 0.000 1.703) 1.763 21.644 ( 0.663 0.000 -1.932) 2.043 22.073 ( -5.362 -0.000 7.051) 8.858 22.417 ( -4.504 -0.000 -5.812) 7.353 23.282 ( -4.270 -0.000 6.028) 7.388 23.558 ( 7.940 0.000 -13.478) 15.643 24.612 ( -5.856 -0.000 21.167) 21.963 25.169 ( 12.685 0.000 -18.121) 22.120 26.475 ( -7.928 -0.000 18.274) 19.920 26.563 ( 13.712 0.000 -9.063) 16.436 26.865 ( 4.570 0.000 -1.328) 4.759 27.202 ( -9.817 -0.000 -4.196) 10.676 ======================= Grid point 150 (67/117) ======================= q-point: ( 0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 11.099 -9.780 11.177) 18.541 2.367 ( -0.068 -11.717 -2.086) 11.902 2.425 ( 1.265 -9.357 5.974) 11.173 2.802 ( -0.357 -5.177 1.626) 5.439 3.095 ( 1.718 8.457 4.615) 9.786 3.389 ( 2.456 3.872 -4.784) 6.626 3.505 ( 1.306 4.474 -0.994) 4.765 3.833 ( -12.085 -0.050 -8.384) 14.709 4.201 ( 10.553 1.700 17.550) 20.548 4.779 ( 19.598 0.354 -4.029) 20.011 4.950 ( 6.127 9.923 -4.533) 12.512 5.039 ( -5.065 3.746 -7.830) 10.050 5.078 ( -0.300 5.479 7.999) 9.700 5.136 ( 0.182 0.375 -1.134) 1.208 5.312 ( -4.335 -7.106 -4.044) 9.254 5.455 ( 13.089 -12.603 15.052) 23.595 5.524 ( -5.766 7.525 -3.486) 10.101 5.649 ( -0.754 6.050 -2.282) 6.510 6.024 ( -4.093 1.546 3.996) 5.926 6.151 ( -9.699 -0.353 -3.956) 10.480 6.262 ( -5.743 0.411 -9.035) 10.714 6.598 ( 1.574 2.083 -0.128) 2.614 6.771 ( -9.620 1.530 -6.797) 11.878 6.901 ( 7.407 -2.898 5.785) 9.835 7.082 ( 7.372 2.660 -3.617) 8.632 7.247 ( 4.824 3.538 -3.962) 7.176 7.391 ( -0.420 11.186 -0.020) 11.194 7.510 ( 21.478 2.773 -0.695) 21.668 7.572 ( 15.822 0.918 -1.184) 15.893 7.746 ( 2.854 7.572 5.017) 9.521 7.847 ( -9.119 0.223 1.325) 9.218 8.066 ( -7.088 -3.003 -0.051) 7.698 8.131 ( 6.919 0.023 -7.291) 10.052 8.426 ( -12.140 7.641 -0.059) 14.345 8.530 ( 2.621 -1.090 3.820) 4.759 8.645 ( -4.899 2.014 -0.384) 5.311 8.713 ( -0.528 2.417 3.305) 4.129 8.753 ( 6.424 -3.161 -4.936) 8.697 8.922 ( -3.894 -4.378 6.084) 8.447 9.256 ( -8.212 -10.988 2.675) 13.976 9.344 ( -10.344 -5.005 -0.426) 11.499 9.614 ( -5.192 3.007 -4.339) 7.404 9.938 ( -7.137 0.081 11.037) 13.144 10.260 ( 2.309 -4.967 -5.191) 7.546 11.076 ( 5.939 10.337 -0.118) 11.922 11.284 ( -1.099 -1.499 7.367) 7.597 11.424 ( -2.327 10.008 1.726) 10.419 11.724 ( -2.968 -9.955 0.557) 10.403 11.941 ( -13.044 -15.858 2.152) 20.646 12.534 ( 0.443 -1.623 -16.547) 16.632 12.927 ( 1.996 1.063 -2.293) 3.221 13.084 ( -9.188 -3.441 -2.555) 10.139 13.448 ( 1.489 2.268 3.994) 4.828 13.649 ( -0.327 3.005 2.916) 4.200 13.803 ( 1.460 -4.859 3.482) 6.153 14.056 ( 3.060 -2.152 -0.267) 3.750 14.153 ( -1.161 3.145 0.372) 3.373 14.248 ( -1.372 -1.675 -2.497) 3.305 16.330 ( 1.987 2.302 -1.287) 3.302 16.354 ( 2.632 2.127 -0.877) 3.496 16.915 ( 2.441 -0.170 4.779) 5.369 17.184 ( -0.892 1.679 -2.277) 2.967 17.858 ( -0.141 5.685 -0.066) 5.687 17.879 ( -0.020 8.043 -0.350) 8.051 19.399 ( 0.290 -15.658 1.539) 15.736 19.507 ( -0.793 -17.873 -0.683) 17.903 21.556 ( 0.263 -1.660 1.680) 2.377 21.655 ( 0.257 -1.039 -1.767) 2.066 22.055 ( -2.983 -1.677 6.178) 7.062 22.363 ( -2.007 0.900 -5.515) 5.937 23.259 ( -3.117 -0.307 5.709) 6.512 23.609 ( 7.388 0.063 -14.157) 15.969 24.574 ( -7.982 0.840 20.703) 22.204 25.238 ( 11.689 3.019 -17.272) 21.073 26.364 ( -9.924 5.410 15.208) 18.948 26.651 ( 13.187 4.878 -8.895) 16.637 26.883 ( 4.253 2.746 -0.073) 5.063 27.059 ( -9.429 3.977 -1.592) 10.356 ======================= Grid point 151 (68/117) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 8.477 -2.294 13.952) 16.485 2.484 ( -0.014 -6.649 -0.014) 6.649 2.766 ( -1.464 -19.352 0.686) 19.419 2.941 ( 1.186 -14.187 -4.322) 14.878 2.996 ( 5.865 6.578 7.499) 11.572 3.305 ( 1.844 11.450 -1.791) 11.735 3.419 ( 1.108 4.343 1.394) 4.693 3.701 ( -13.034 -2.977 -8.911) 16.067 4.284 ( 8.292 3.991 13.296) 16.170 4.612 ( -13.887 10.044 -7.837) 18.845 4.887 ( -9.737 6.664 -0.514) 11.811 5.034 ( 7.121 2.610 3.268) 8.258 5.061 ( 12.225 -0.161 0.549) 12.239 5.157 ( 4.410 4.050 0.884) 6.052 5.197 ( -12.092 6.685 0.518) 13.826 5.397 ( 0.333 -3.554 -4.202) 5.513 5.623 ( 10.446 1.342 -13.110) 16.816 5.807 ( 4.342 -3.903 15.769) 16.815 5.908 ( -0.467 3.835 -14.255) 14.770 6.037 ( -8.396 -6.192 1.782) 10.584 6.308 ( 3.401 -1.317 -2.473) 4.407 6.502 ( -8.954 9.129 7.528) 14.839 6.626 ( -8.464 2.054 -5.335) 10.214 6.860 ( 0.576 9.299 6.644) 11.443 7.059 ( -1.521 12.629 -3.607) 13.222 7.189 ( 16.074 3.772 6.240) 17.650 7.321 ( 9.682 7.188 3.993) 12.703 7.493 ( -2.744 9.838 -0.199) 10.215 7.548 ( 3.936 4.165 -5.711) 8.090 7.725 ( -9.131 -5.650 1.480) 10.839 7.930 ( 11.223 -4.965 -5.803) 13.575 7.937 ( -13.755 5.347 -7.965) 16.770 8.140 ( -14.281 0.085 1.180) 14.330 8.200 ( 9.134 5.490 0.304) 10.661 8.532 ( -2.246 7.611 9.999) 12.765 8.570 ( -0.514 -3.291 6.074) 6.928 8.746 ( 0.008 -0.902 0.214) 0.927 8.906 ( 6.745 -3.493 2.411) 7.969 9.027 ( 4.091 -6.779 -7.422) 10.853 9.350 ( -3.664 -7.146 -3.129) 8.618 9.432 ( 1.992 -11.416 0.054) 11.589 9.494 ( -1.833 4.482 -7.399) 8.843 9.959 ( -1.229 -4.153 10.709) 11.552 10.341 ( 0.781 -3.443 -6.399) 7.308 10.975 ( 4.991 7.054 3.263) 9.236 11.148 ( -6.788 4.415 -4.141) 9.095 11.473 ( 3.901 -3.996 13.984) 15.058 11.853 ( -7.026 -6.812 -4.071) 10.599 12.117 ( 2.394 -15.041 4.829) 15.977 12.594 ( 4.218 -4.900 -11.488) 13.182 12.943 ( 3.296 0.489 -0.081) 3.333 13.051 ( -7.927 -5.755 -7.580) 12.386 13.417 ( 0.659 3.405 4.255) 5.489 13.591 ( -0.818 3.403 -1.970) 4.017 13.914 ( 1.232 -3.207 9.773) 10.360 14.079 ( -2.450 1.206 0.560) 2.788 14.133 ( 2.521 -1.600 -0.729) 3.074 14.266 ( -0.179 -3.513 -4.400) 5.634 16.284 ( 0.093 4.364 -0.387) 4.382 16.316 ( 0.316 3.872 -0.996) 4.011 16.954 ( 2.948 -0.223 4.204) 5.139 17.123 ( -2.495 2.710 -2.566) 4.489 17.743 ( -0.622 6.638 0.329) 6.675 17.768 ( 0.859 5.172 -0.509) 5.267 19.725 ( 0.850 -20.838 2.714) 21.031 19.851 ( -1.150 -23.412 -2.089) 23.533 21.601 ( -0.322 -3.139 1.552) 3.517 21.675 ( 0.156 -1.427 -1.077) 1.795 22.092 ( -0.804 -3.817 4.483) 5.943 22.330 ( 0.809 1.206 -4.594) 4.818 23.245 ( -2.736 -0.389 5.237) 5.921 23.659 ( 7.169 -0.525 -14.297) 16.002 24.495 ( -10.202 1.983 19.066) 21.714 25.243 ( 9.491 5.657 -15.284) 18.859 26.169 ( -9.552 8.354 11.922) 17.412 26.615 ( 8.343 10.950 -7.586) 15.718 26.858 ( 0.650 6.418 1.451) 6.612 26.902 ( -2.978 3.573 -0.745) 4.711 ======================= Grid point 152 (69/117) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.481 2.358 9.470) 10.362 2.512 ( 2.698 4.894 -4.989) 7.492 2.915 ( -11.610 -1.014 -0.250) 11.657 2.953 ( 5.950 0.577 3.674) 7.016 3.029 ( -5.559 12.369 -2.733) 13.833 3.283 ( 1.312 -11.378 -3.969) 12.122 3.464 ( 8.987 -2.926 12.392) 15.585 3.687 ( -11.957 -14.400 -8.015) 20.360 4.264 ( -6.270 7.475 -0.636) 9.777 4.378 ( 1.067 1.155 7.989) 8.142 4.584 ( -11.306 12.648 -6.053) 18.012 4.905 ( -3.761 10.355 2.231) 11.241 5.018 ( 2.549 9.407 1.341) 9.838 5.134 ( 3.445 -4.429 -1.872) 5.915 5.301 ( 2.220 0.582 1.965) 3.022 5.497 ( -0.924 -9.649 -2.418) 9.990 5.604 ( -7.432 4.140 -0.721) 8.538 5.761 ( 15.781 -2.255 -6.604) 17.255 5.870 ( -2.634 16.128 -9.997) 19.156 6.104 ( -8.033 -7.844 -0.168) 11.229 6.274 ( 1.867 4.575 2.747) 5.654 6.371 ( 10.506 0.176 -4.485) 11.425 6.575 ( -8.428 -5.213 9.828) 13.957 6.725 ( 5.852 16.523 8.091) 19.306 6.901 ( 3.145 6.950 -0.449) 7.641 7.120 ( 0.138 12.759 0.399) 12.766 7.244 ( 1.705 10.348 3.980) 11.217 7.358 ( 9.254 5.731 14.186) 17.881 7.534 ( -14.474 -4.358 -6.979) 16.649 7.636 ( -12.185 7.187 -6.146) 15.424 7.813 ( -0.730 -10.554 -6.866) 12.612 7.973 ( -13.212 -6.323 -0.398) 14.652 8.189 ( 9.248 5.412 3.653) 11.320 8.254 ( 14.639 -4.491 -2.342) 15.491 8.428 ( 0.546 4.487 8.122) 9.295 8.627 ( -2.694 -2.009 3.843) 5.106 8.748 ( -1.471 -1.709 4.133) 4.708 8.983 ( 3.048 0.458 0.456) 3.116 9.059 ( -2.210 0.090 -10.868) 11.091 9.335 ( 2.634 6.532 -7.304) 10.146 9.494 ( -0.654 -6.119 -1.773) 6.404 9.758 ( 10.537 -16.710 -4.490) 20.259 10.044 ( 0.137 -3.365 8.252) 8.913 10.354 ( -1.410 -0.060 -7.478) 7.610 10.953 ( 4.459 3.394 5.117) 7.588 11.074 ( -1.762 -2.504 -5.644) 6.421 11.590 ( -4.572 -6.228 11.377) 13.752 11.831 ( -8.051 -3.895 -2.291) 9.232 12.464 ( 15.182 -11.635 4.040) 19.549 12.687 ( 3.907 -1.966 -3.347) 5.508 12.958 ( 0.004 -1.503 1.268) 1.967 13.137 ( 1.784 -9.292 -9.300) 13.268 13.376 ( -0.233 2.344 3.587) 4.291 13.519 ( -1.000 2.849 -4.583) 5.488 13.891 ( -3.015 5.477 9.256) 11.170 14.070 ( -3.945 -1.352 2.354) 4.788 14.191 ( 2.142 -4.008 -1.927) 4.936 14.365 ( 4.081 -6.121 -4.559) 8.655 16.186 ( -2.643 5.766 -0.092) 6.344 16.233 ( -0.878 5.241 -0.231) 5.319 16.984 ( -0.191 0.450 3.189) 3.226 17.066 ( 0.354 0.423 -2.730) 2.785 17.649 ( -1.933 3.295 0.326) 3.834 17.711 ( 1.782 3.394 -0.233) 3.841 20.082 ( 1.627 -18.720 3.761) 19.163 20.219 ( -0.529 -21.469 -3.347) 21.734 21.646 ( -1.992 -2.945 0.938) 3.678 21.709 ( 1.596 -1.888 0.199) 2.480 22.177 ( -0.155 -5.994 2.029) 6.330 22.319 ( 2.259 1.343 -2.969) 3.965 23.236 ( -2.095 -0.490 4.389) 4.888 23.726 ( 7.123 -1.927 -13.500) 15.385 24.371 ( -11.721 3.140 16.140) 20.192 25.196 ( 6.973 6.801 -11.557) 15.114 25.959 ( -6.591 8.538 9.191) 14.171 26.446 ( 3.865 14.735 -6.274) 16.474 26.694 ( -7.043 6.534 2.536) 9.936 26.867 ( 5.374 4.975 -0.967) 7.387 ======================= Grid point 153 (70/117) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -14.709 15.515 1.510) 21.433 2.408 ( 0.302 3.102 -4.391) 5.385 2.640 ( -10.244 14.684 -5.985) 18.878 2.817 ( -0.142 1.029 -2.917) 3.097 3.116 ( 6.448 -1.905 4.174) 7.914 3.368 ( 6.649 0.049 0.302) 6.657 3.549 ( 1.766 6.175 15.371) 16.659 3.892 ( -9.531 -19.384 -3.187) 21.835 4.035 ( -7.921 3.393 -0.521) 8.633 4.278 ( -5.267 10.714 -12.888) 17.568 4.533 ( 2.679 -6.548 3.476) 7.883 4.708 ( -0.457 12.314 2.970) 12.675 4.870 ( -0.315 4.563 5.335) 7.028 5.134 ( -0.871 14.779 10.285) 18.026 5.289 ( 3.514 -1.239 -8.524) 9.303 5.362 ( -8.515 3.828 -13.795) 16.658 5.641 ( -9.665 -5.273 -4.073) 11.739 5.770 ( 7.337 -8.663 -2.756) 11.682 5.987 ( 15.331 -0.673 9.602) 18.102 6.086 ( 8.566 13.447 -9.195) 18.405 6.220 ( -3.226 -6.651 -2.193) 7.711 6.459 ( 6.221 10.556 5.470) 13.418 6.547 ( -6.079 3.186 7.335) 10.045 6.646 ( 10.638 -4.206 -1.972) 11.608 6.719 ( 4.463 10.798 -2.280) 11.905 7.017 ( -4.560 -0.053 7.435) 8.722 7.247 ( 3.170 0.806 18.113) 18.406 7.327 ( -6.599 0.174 3.170) 7.323 7.387 ( -7.254 2.251 -4.252) 8.705 7.479 ( -10.606 0.159 1.689) 10.740 7.877 ( -1.341 1.039 -5.042) 5.320 7.977 ( -4.672 -6.102 2.134) 7.976 8.281 ( 9.855 -1.710 0.052) 10.002 8.367 ( 5.035 -0.018 0.112) 5.036 8.485 ( 4.696 -1.974 -7.571) 9.125 8.590 ( -4.235 -0.254 5.179) 6.695 8.779 ( 1.895 2.431 -2.945) 4.263 8.890 ( -2.415 2.494 -2.419) 4.231 9.132 ( 3.441 -7.257 -6.603) 10.397 9.270 ( 3.125 2.663 2.060) 4.593 9.579 ( 0.185 -4.008 -1.924) 4.450 10.045 ( -1.057 -7.479 -2.636) 8.000 10.117 ( 3.294 -5.546 1.502) 6.623 10.297 ( -2.501 2.104 -6.846) 7.586 10.961 ( 2.429 0.629 4.883) 5.490 11.148 ( 2.755 -5.401 -5.528) 8.204 11.589 ( -15.798 -5.796 -0.660) 16.841 11.879 ( 0.423 -5.608 7.733) 9.562 12.705 ( 6.184 0.520 3.801) 7.277 12.750 ( 7.411 -1.152 -0.485) 7.515 13.064 ( 6.528 -7.002 3.799) 10.299 13.293 ( 2.967 -6.166 -5.796) 8.967 13.356 ( -0.638 -0.515 0.955) 1.259 13.480 ( 0.605 -0.208 -5.484) 5.521 13.772 ( -4.307 5.280 8.491) 10.887 14.029 ( -4.586 0.643 0.726) 4.687 14.282 ( 2.040 -3.632 -1.214) 4.339 14.504 ( 4.699 -5.484 -4.958) 8.760 16.047 ( -4.301 5.945 -0.305) 7.344 16.141 ( -0.048 4.923 1.115) 5.048 16.949 ( -4.102 0.133 -0.845) 4.190 17.108 ( 4.089 -1.385 0.299) 4.327 17.590 ( -2.377 1.257 -0.203) 2.697 17.685 ( 1.934 2.248 0.450) 2.999 20.368 ( 1.204 -12.374 3.552) 12.930 20.514 ( -0.439 -14.552 -3.469) 14.966 21.661 ( -1.854 -1.202 0.573) 2.283 21.762 ( 1.820 -1.708 0.784) 2.616 22.277 ( -1.314 -5.025 -0.950) 5.280 22.323 ( 1.594 -1.109 -0.573) 2.024 23.237 ( -0.737 -0.507 2.989) 3.120 23.816 ( 4.875 -3.501 -9.253) 11.029 24.224 ( -9.907 3.356 10.106) 14.545 25.130 ( 4.903 5.944 -6.315) 9.962 25.812 ( -0.737 5.490 7.280) 9.147 26.195 ( 0.015 15.777 -5.538) 16.720 26.532 ( -6.338 4.999 1.996) 8.316 26.837 ( 5.133 4.565 -0.688) 6.904 ======================= Grid point 154 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -22.005 22.374 -8.867) 32.610 2.267 ( -6.114 10.671 0.599) 12.313 2.495 ( 6.116 -1.028 -3.520) 7.131 2.827 ( 2.453 1.468 -1.449) 3.205 3.139 ( 3.190 3.272 0.704) 4.623 3.386 ( -4.718 8.411 10.489) 14.249 3.477 ( 10.422 5.613 2.903) 12.189 3.826 ( 2.428 10.106 -7.125) 12.601 4.037 ( -1.086 9.761 -5.398) 11.207 4.253 ( -8.167 -23.645 -2.782) 25.170 4.468 ( -4.694 4.877 -0.855) 6.823 4.639 ( 1.963 0.193 2.075) 2.863 4.816 ( 2.212 15.532 -9.169) 18.171 4.931 ( 3.952 4.170 6.848) 8.939 5.153 ( -2.026 -1.822 -2.568) 3.744 5.478 ( 1.791 -6.426 1.993) 6.963 5.595 ( -4.831 6.040 -0.193) 7.736 5.810 ( 10.048 19.848 -6.320) 23.127 5.993 ( 7.920 -8.755 4.655) 12.691 6.170 ( 0.692 1.952 -1.310) 2.451 6.200 ( 8.713 2.017 4.775) 10.139 6.504 ( 6.677 -5.014 -0.150) 8.351 6.554 ( 1.654 -5.286 10.568) 11.931 6.656 ( 0.013 0.307 -0.929) 0.979 6.807 ( -0.758 -1.804 -4.016) 4.467 6.994 ( -2.417 -3.699 3.156) 5.430 7.168 ( -4.229 5.814 0.718) 7.225 7.255 ( 1.042 3.621 5.374) 6.563 7.379 ( -16.379 -5.279 4.247) 17.726 7.442 ( -4.980 -8.166 8.662) 12.904 7.819 ( -1.610 1.190 -2.576) 3.263 8.052 ( 4.992 -0.418 0.441) 5.029 8.363 ( 3.828 -0.513 2.375) 4.535 8.400 ( 3.466 8.513 -3.586) 9.866 8.447 ( 1.353 -3.298 -7.633) 8.425 8.622 ( -3.894 -2.555 2.038) 5.084 8.707 ( 1.346 1.004 -9.902) 10.043 8.926 ( -1.659 -4.415 6.058) 7.678 9.266 ( -0.982 -8.626 -9.960) 13.212 9.365 ( 8.027 -4.847 7.273) 11.867 9.613 ( 0.028 -0.183 -0.647) 0.673 10.049 ( -5.248 -0.954 -6.629) 8.509 10.178 ( -1.438 0.314 -0.271) 1.497 10.268 ( -3.498 -2.789 -3.501) 5.681 11.005 ( 1.702 -2.155 4.644) 5.395 11.248 ( 1.904 -3.864 -4.592) 6.296 11.507 ( -16.373 -5.676 -5.238) 18.103 12.013 ( 1.012 -6.729 9.259) 11.490 12.728 ( 1.332 0.820 3.927) 4.226 12.794 ( 4.242 2.608 3.149) 5.892 13.228 ( 4.434 -2.768 -0.798) 5.288 13.343 ( 0.507 -0.758 -1.821) 2.037 13.414 ( 0.805 -3.559 -0.710) 3.717 13.504 ( 2.716 -0.092 0.480) 2.760 13.697 ( -2.585 -0.300 4.129) 4.881 13.977 ( -2.744 0.691 0.071) 2.831 14.331 ( 1.310 -0.149 -0.872) 1.581 14.608 ( 2.605 -3.279 -5.780) 7.138 15.925 ( -2.423 3.703 -0.553) 4.460 16.079 ( 1.632 3.784 2.083) 4.617 16.904 ( -4.281 -0.328 -2.434) 4.936 17.168 ( 3.299 -0.675 1.296) 3.608 17.556 ( -1.455 0.366 -0.205) 1.515 17.676 ( 1.453 0.952 0.438) 1.792 20.509 ( -1.381 -3.372 1.426) 3.913 20.659 ( -1.483 -4.075 -1.819) 4.702 21.654 ( -0.803 0.506 0.494) 1.070 21.793 ( 1.329 0.270 0.503) 1.447 22.288 ( -0.638 0.369 0.474) 0.876 22.398 ( -3.090 -6.627 -1.953) 7.569 23.250 ( 1.333 -0.274 0.824) 1.591 23.852 ( -7.853 -0.768 5.903) 9.854 24.157 ( 2.677 -1.513 -5.244) 6.079 25.085 ( 3.363 3.540 -1.814) 5.208 25.809 ( 6.006 -0.056 5.844) 8.380 25.944 ( 0.294 11.091 -2.738) 11.428 26.406 ( -4.837 3.312 -1.475) 6.045 26.833 ( 4.929 1.592 0.128) 5.182 ======================= Grid point 160 (72/117) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 9.867 0.000 13.365) 16.612 2.250 ( 0.571 0.000 -5.155) 5.187 2.367 ( -1.910 -0.000 8.251) 8.469 2.799 ( 4.565 0.000 1.299) 4.746 3.221 ( 5.424 0.000 11.069) 12.327 3.429 ( 2.422 0.000 -2.693) 3.622 3.532 ( -4.270 -0.000 -5.409) 6.892 3.679 ( -11.089 -0.000 -5.774) 12.502 4.380 ( 11.220 0.000 20.444) 23.321 4.841 ( -24.162 -0.000 -10.724) 26.435 4.907 ( -6.235 -0.000 -10.199) 11.953 5.001 ( -1.661 -0.000 -8.256) 8.422 5.141 ( -2.681 -0.000 1.426) 3.037 5.157 ( 7.419 0.000 0.533) 7.438 5.287 ( 2.976 0.000 7.749) 8.301 5.487 ( 19.482 0.000 18.004) 26.527 5.667 ( 7.421 0.000 -6.905) 10.137 5.701 ( 0.299 0.000 -1.718) 1.744 5.855 ( -17.787 -0.000 3.626) 18.153 6.143 ( 5.570 0.000 -3.185) 6.416 6.194 ( -7.415 -0.000 -7.561) 10.591 6.639 ( -13.030 -0.000 -5.762) 14.247 6.663 ( 6.227 0.000 -1.206) 6.343 6.943 ( 9.458 0.000 -14.142) 17.013 7.268 ( 18.480 0.000 10.139) 21.079 7.308 ( 2.305 0.000 -3.117) 3.877 7.435 ( -7.882 -0.000 -2.059) 8.146 7.641 ( -7.767 -0.000 0.239) 7.771 7.681 ( -3.460 -0.000 0.134) 3.462 7.835 ( -0.986 -0.000 6.520) 6.594 7.846 ( 0.778 0.000 3.232) 3.325 7.952 ( 6.068 0.000 -0.733) 6.112 8.279 ( 20.103 0.000 -9.442) 22.210 8.339 ( -20.821 -0.000 -9.442) 22.862 8.498 ( -4.229 -0.000 4.537) 6.202 8.576 ( -4.715 -0.000 0.196) 4.719 8.702 ( -2.295 -0.000 -2.871) 3.675 8.799 ( 7.459 0.000 -4.474) 8.698 9.032 ( -9.446 -0.000 10.650) 14.235 9.033 ( 18.479 0.000 13.783) 23.053 9.249 ( -0.915 -0.000 1.450) 1.714 9.565 ( -6.322 -0.000 -6.565) 9.114 9.887 ( -5.438 -0.000 9.785) 11.194 10.236 ( 3.369 0.000 -3.959) 5.199 11.243 ( -6.837 -0.000 6.751) 9.609 11.315 ( 8.136 0.000 2.536) 8.522 11.538 ( -1.774 -0.000 -2.540) 3.099 11.540 ( 1.932 0.000 -3.100) 3.653 11.727 ( 1.180 0.000 8.602) 8.682 12.469 ( -1.332 -0.000 -20.880) 20.923 12.960 ( 3.574 0.000 -0.876) 3.680 12.966 ( -7.838 -0.000 -2.139) 8.125 13.484 ( 0.369 0.000 4.660) 4.675 13.731 ( -0.836 -0.000 -5.548) 5.611 13.732 ( 2.799 0.000 11.877) 12.202 14.067 ( 2.996 0.000 -2.532) 3.923 14.162 ( -2.613 -0.000 0.426) 2.647 14.224 ( -0.782 -0.000 -1.012) 1.279 16.360 ( 0.443 0.000 -1.040) 1.130 16.381 ( -0.301 -0.000 -1.233) 1.269 16.944 ( 1.880 0.000 6.372) 6.643 17.189 ( -0.617 -0.000 -3.753) 3.804 17.915 ( 0.275 0.000 0.521) 0.589 17.956 ( -0.092 -0.000 -0.973) 0.978 19.263 ( 0.394 0.000 1.895) 1.935 19.336 ( -0.995 -0.000 -0.865) 1.319 21.545 ( -0.228 -0.000 1.811) 1.825 21.645 ( 0.128 0.000 -2.091) 2.095 22.033 ( -0.937 -0.000 6.649) 6.715 22.353 ( 0.875 0.000 -5.856) 5.921 23.239 ( -2.388 -0.000 5.003) 5.543 23.652 ( 6.302 0.000 -14.782) 16.070 24.531 ( -9.451 -0.000 20.560) 22.628 25.345 ( 9.961 0.000 -16.993) 19.697 26.320 ( -12.144 -0.000 13.661) 18.278 26.828 ( 14.204 0.000 -8.795) 16.706 26.938 ( 2.706 0.000 1.293) 2.999 26.992 ( -8.906 -0.000 -0.260) 8.910 ======================= Grid point 161 (73/117) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 6.676 -12.503 14.140) 20.020 2.300 ( -2.455 -4.365 0.023) 5.008 2.466 ( 0.355 -14.703 2.868) 14.984 2.851 ( 4.543 0.245 -2.855) 5.371 3.226 ( 5.156 8.329 6.986) 12.032 3.424 ( -7.097 1.564 -6.791) 9.946 3.464 ( 3.816 -0.098 4.130) 5.624 3.564 ( -7.582 4.631 -4.061) 9.768 4.385 ( -14.628 1.952 7.110) 16.381 4.610 ( -3.414 6.275 3.864) 8.122 4.744 ( -16.922 -2.133 -6.492) 18.249 5.009 ( 0.132 0.938 -5.558) 5.638 5.128 ( -3.390 -0.831 0.552) 3.533 5.178 ( -4.599 1.001 2.048) 5.133 5.330 ( 9.746 0.575 1.889) 9.944 5.469 ( -0.761 10.888 -2.808) 11.270 5.738 ( 3.843 3.372 -1.226) 5.257 5.755 ( -10.666 -4.900 2.453) 11.991 5.850 ( 12.135 -9.311 10.309) 18.445 6.076 ( 6.774 6.752 -11.209) 14.735 6.275 ( 7.369 -4.377 2.813) 9.021 6.495 ( -13.146 -0.762 -5.223) 14.166 6.663 ( 3.728 9.224 -2.021) 10.152 7.012 ( 10.469 3.452 -10.576) 15.276 7.211 ( -4.884 8.330 -2.380) 9.945 7.351 ( -0.457 0.426 -5.122) 5.160 7.410 ( -12.175 -2.823 3.395) 12.951 7.438 ( -16.163 -1.688 1.317) 16.304 7.664 ( 0.007 7.412 4.715) 8.784 7.708 ( -0.117 4.305 5.480) 6.970 7.772 ( -4.624 2.091 4.863) 7.029 8.023 ( -5.188 10.049 -6.603) 13.096 8.169 ( 14.165 1.486 -7.258) 15.985 8.375 ( 4.382 4.631 -0.573) 6.401 8.495 ( -2.936 -4.360 2.110) 5.664 8.542 ( -2.553 -2.388 3.896) 5.234 8.744 ( 3.165 -0.231 -0.170) 3.178 8.876 ( -1.401 -5.518 -6.521) 8.656 9.089 ( 8.125 -1.285 10.585) 13.406 9.220 ( 11.945 -2.553 1.679) 12.329 9.320 ( 4.788 -5.000 4.564) 8.292 9.516 ( 0.077 -0.830 -9.134) 9.172 9.909 ( 1.079 -3.983 9.232) 10.112 10.288 ( 2.300 -2.322 -3.469) 4.767 11.111 ( -7.041 4.747 -0.119) 8.493 11.247 ( 4.195 10.877 4.868) 12.634 11.461 ( -0.476 0.227 3.032) 3.078 11.758 ( 4.948 -1.096 4.048) 6.486 11.928 ( 12.373 -17.778 1.793) 21.734 12.494 ( 2.724 -7.847 -20.334) 21.966 12.897 ( -6.800 -1.071 -2.548) 7.340 13.003 ( 5.376 0.203 1.135) 5.498 13.474 ( -0.612 2.069 4.998) 5.444 13.648 ( -0.649 4.544 -2.650) 5.300 13.858 ( 1.927 -5.785 7.962) 10.028 14.088 ( -0.947 1.401 -3.622) 3.997 14.129 ( -0.416 -0.443 2.720) 2.787 14.218 ( -0.361 -1.471 -3.161) 3.505 16.330 ( -2.275 2.558 -0.892) 3.538 16.351 ( -2.067 1.529 -1.130) 2.808 16.981 ( 1.980 -0.515 6.497) 6.812 17.147 ( -1.450 2.801 -4.126) 5.193 17.863 ( 0.601 6.259 -0.032) 6.288 17.877 ( 0.063 7.349 -0.402) 7.360 19.415 ( 0.257 -15.987 2.149) 16.132 19.484 ( -0.733 -17.719 -1.283) 17.781 21.558 ( -0.745 -1.582 1.815) 2.521 21.651 ( 0.001 -1.158 -1.904) 2.228 22.059 ( 1.032 -1.505 6.310) 6.568 22.360 ( 3.857 0.797 -5.652) 6.889 23.226 ( -2.012 -0.127 4.197) 4.656 23.688 ( 5.464 -0.518 -14.513) 15.517 24.454 ( -10.550 1.447 19.024) 21.802 25.375 ( 6.945 3.154 -15.436) 17.218 26.182 ( -11.922 3.912 11.171) 16.799 26.828 ( -1.850 5.364 -1.784) 5.948 26.898 ( 0.081 6.011 -0.947) 6.086 26.991 ( 8.341 1.446 -2.076) 8.717 ======================= Grid point 162 (74/117) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.838 2.761 7.772) 8.290 2.439 ( -3.859 -18.369 5.782) 19.641 2.672 ( -7.117 -0.148 -0.823) 7.166 2.972 ( 2.034 -18.584 -6.938) 19.941 3.112 ( -3.355 8.440 -0.678) 9.108 3.209 ( -6.344 14.944 -3.559) 16.620 3.412 ( -6.820 -4.812 -6.596) 10.638 3.557 ( 6.438 -0.850 10.845) 12.641 4.233 ( -12.683 0.039 1.314) 12.751 4.453 ( -11.167 2.664 7.353) 13.633 4.621 ( 0.258 8.243 -5.014) 9.651 4.938 ( -11.906 4.102 -6.225) 14.047 5.017 ( -0.343 -0.900 4.886) 4.980 5.165 ( -1.344 2.506 4.490) 5.315 5.280 ( -7.901 0.022 -3.731) 8.737 5.546 ( 5.784 -3.549 2.695) 7.301 5.600 ( 0.235 8.621 -1.589) 8.770 5.728 ( -3.829 -4.368 -0.623) 5.842 6.031 ( 1.605 5.307 2.321) 6.010 6.163 ( 18.428 0.371 -9.336) 20.661 6.339 ( -6.287 2.019 -6.808) 9.485 6.417 ( -3.960 -1.827 2.556) 5.055 6.480 ( 8.449 5.611 5.335) 11.460 7.018 ( -5.002 6.581 1.561) 8.412 7.031 ( 10.334 8.742 4.118) 14.149 7.183 ( -24.773 -4.029 0.087) 25.099 7.311 ( -6.010 -0.630 -3.701) 7.087 7.432 ( -9.092 2.897 3.055) 10.019 7.473 ( -0.991 5.806 -3.333) 6.768 7.656 ( -1.505 1.164 -5.438) 5.761 7.716 ( -2.626 13.527 -6.247) 15.129 7.874 ( 14.516 0.535 7.993) 16.579 8.276 ( 1.987 -1.524 -1.620) 2.982 8.371 ( 10.991 2.259 -0.531) 11.233 8.534 ( -1.080 -2.869 1.617) 3.466 8.575 ( 2.339 2.572 6.554) 7.419 8.746 ( -0.244 -0.026 4.607) 4.614 8.884 ( -10.393 -5.012 -4.873) 12.525 9.115 ( 7.992 6.617 0.245) 10.379 9.411 ( 6.767 -5.320 -0.400) 8.618 9.491 ( 3.285 2.155 -8.189) 9.083 9.603 ( 12.792 -12.658 1.490) 18.058 10.038 ( 5.958 -2.713 7.375) 9.861 10.316 ( -0.405 -0.590 -5.864) 5.907 11.011 ( -3.563 -0.148 -4.246) 5.545 11.140 ( 7.530 9.327 6.703) 13.734 11.460 ( -5.960 -1.995 -0.076) 6.285 11.795 ( 3.783 0.791 9.552) 10.304 12.407 ( 19.772 -17.273 0.067) 26.254 12.668 ( 6.580 -6.954 -9.869) 13.750 12.874 ( -3.165 -5.085 -5.615) 8.210 13.073 ( 5.623 -1.732 1.539) 6.082 13.427 ( -1.193 3.201 4.744) 5.846 13.556 ( -1.578 4.156 -4.562) 6.370 13.945 ( -2.425 1.271 10.570) 10.919 14.018 ( -2.773 -0.490 -1.738) 3.310 14.137 ( -1.691 -1.588 0.263) 2.334 14.304 ( 5.029 -6.055 -5.254) 9.464 16.229 ( -5.183 4.405 -0.782) 6.847 16.284 ( -2.907 3.217 -0.527) 4.368 16.999 ( -1.262 1.970 2.683) 3.560 17.085 ( 0.869 0.920 -1.121) 1.690 17.725 ( -1.144 7.748 0.201) 7.834 17.791 ( 1.338 4.480 -0.513) 4.703 19.749 ( 0.022 -21.963 0.971) 21.985 19.846 ( 1.968 -23.365 -0.418) 23.452 21.584 ( -1.533 -2.402 1.435) 3.190 21.681 ( 0.482 -2.496 -1.081) 2.762 22.120 ( 1.722 -2.615 5.060) 5.950 22.377 ( 5.278 1.888 -4.713) 7.324 23.221 ( -0.996 -0.374 2.946) 3.132 23.732 ( 4.818 -1.645 -12.751) 13.730 24.339 ( -10.639 2.998 15.855) 19.327 25.331 ( 3.698 5.255 -12.052) 13.658 26.010 ( -9.287 5.250 8.730) 13.785 26.691 ( -4.459 6.272 1.126) 7.778 26.743 ( -0.341 12.514 -2.126) 12.698 27.010 ( 6.695 5.110 -2.157) 8.694 ======================= Grid point 163 (75/117) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -12.794 13.352 3.541) 18.828 2.450 ( -7.606 7.629 -5.763) 12.218 2.663 ( -13.224 -9.447 -5.102) 17.034 2.770 ( -8.555 7.338 -3.030) 11.671 3.111 ( 1.362 -2.837 3.384) 4.621 3.235 ( -8.548 -11.595 -2.762) 14.668 3.508 ( 1.411 -8.921 -0.651) 9.055 3.671 ( 2.874 -2.767 10.572) 11.300 4.081 ( -4.764 5.039 -3.039) 7.571 4.313 ( -10.490 3.145 -11.383) 15.796 4.529 ( 6.396 4.046 9.283) 11.977 4.804 ( -5.593 0.274 3.595) 6.654 5.013 ( -4.138 10.483 6.424) 12.972 5.106 ( 0.684 -6.991 -2.050) 7.318 5.212 ( -9.676 -2.876 -2.223) 10.336 5.382 ( -6.261 5.407 -0.947) 8.327 5.677 ( -1.902 6.955 -3.641) 8.077 5.751 ( 1.106 3.977 2.536) 4.845 5.889 ( -4.969 -7.274 -1.621) 8.957 6.235 ( 18.727 3.314 -12.866) 22.962 6.321 ( 3.921 -1.532 -2.337) 4.815 6.499 ( 0.776 -1.550 -1.719) 2.441 6.564 ( 4.385 -1.307 11.712) 12.574 6.817 ( -5.382 5.932 1.697) 8.188 6.993 ( -9.532 0.109 3.134) 10.035 7.092 ( 3.584 4.013 6.179) 8.193 7.171 ( 2.133 21.194 -3.141) 21.531 7.279 ( -0.652 -0.204 1.040) 1.244 7.406 ( -5.558 -3.166 8.675) 10.778 7.434 ( -8.356 6.299 1.496) 10.571 7.781 ( 2.398 -7.255 -10.598) 13.065 7.965 ( 7.654 4.204 2.961) 9.220 8.316 ( 2.126 -2.562 1.055) 3.493 8.465 ( 0.789 -1.365 -4.411) 4.684 8.490 ( 4.735 7.070 2.982) 9.017 8.597 ( 4.452 -0.717 0.261) 4.517 8.786 ( -2.076 -3.961 8.088) 9.242 8.842 ( -5.141 -1.177 -3.975) 6.604 9.087 ( 2.032 2.250 -6.775) 7.423 9.440 ( 8.270 7.123 -2.720) 11.248 9.555 ( 7.077 -3.400 -0.942) 7.908 9.916 ( 5.797 -9.698 -0.191) 11.300 10.104 ( 3.219 0.325 2.565) 4.128 10.288 ( -1.966 1.019 -6.699) 7.056 11.004 ( 0.335 -0.594 -1.374) 1.534 11.137 ( 7.439 1.465 2.506) 7.985 11.398 ( -8.237 -0.671 -4.948) 9.633 11.872 ( 5.866 -1.285 12.491) 13.860 12.735 ( 0.988 0.191 0.487) 1.118 12.836 ( 17.242 -6.936 0.705) 18.598 13.007 ( 6.027 -8.346 -0.688) 10.318 13.198 ( 4.541 -7.179 -5.674) 10.216 13.376 ( -0.382 2.305 3.274) 4.022 13.475 ( -1.623 1.724 -5.402) 5.898 13.831 ( -5.669 5.817 7.602) 11.125 14.002 ( -3.196 0.646 2.631) 4.190 14.204 ( 0.383 -6.485 -0.928) 6.563 14.453 ( 5.322 -5.720 -5.970) 9.833 16.084 ( -6.543 5.195 -0.496) 8.369 16.195 ( -2.865 3.305 0.416) 4.393 16.925 ( -3.433 2.106 -2.306) 4.641 17.126 ( 3.140 -1.459 2.500) 4.271 17.608 ( -2.020 4.157 0.355) 4.636 17.746 ( 1.508 2.858 -0.306) 3.246 20.104 ( -0.111 -19.519 -1.127) 19.552 20.251 ( 4.554 -19.857 1.294) 20.413 21.610 ( -1.692 -2.435 0.859) 3.087 21.736 ( 0.713 -3.142 -0.031) 3.222 22.192 ( 0.753 -3.303 2.887) 4.451 22.382 ( 4.741 2.920 -3.093) 6.370 23.233 ( 0.994 -0.639 1.111) 1.622 23.789 ( 2.508 -2.372 -6.888) 7.705 24.208 ( -7.789 3.357 8.994) 12.363 25.245 ( 1.361 5.444 -7.301) 9.208 25.875 ( -4.549 3.500 7.310) 9.295 26.464 ( -1.829 17.892 -3.674) 18.357 26.547 ( -6.407 4.848 1.318) 8.142 26.963 ( 3.243 5.655 -1.038) 6.601 ======================= Grid point 164 (76/117) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -23.819 23.496 -8.582) 34.541 2.290 ( -7.340 1.277 1.410) 7.582 2.520 ( -0.964 2.320 -4.561) 5.207 2.794 ( -6.649 -5.293 -2.666) 8.907 3.178 ( -1.619 -0.796 1.331) 2.242 3.278 ( -8.727 -8.486 -1.947) 12.328 3.615 ( -5.962 2.025 4.190) 7.563 3.776 ( -0.541 -17.169 -0.501) 17.185 4.027 ( 7.524 2.885 -1.359) 8.172 4.169 ( 0.333 4.524 -11.260) 12.140 4.498 ( -5.256 6.599 3.999) 9.336 4.713 ( -0.260 7.209 6.215) 9.522 4.916 ( 2.404 6.320 6.158) 9.146 5.069 ( -6.878 -0.160 -0.526) 6.900 5.301 ( 0.001 1.495 -4.079) 4.344 5.351 ( -6.635 -14.200 -8.351) 17.760 5.374 ( 4.072 8.822 1.445) 9.824 5.845 ( -5.457 -10.939 5.373) 13.353 5.968 ( -6.810 -7.232 -4.131) 10.758 6.306 ( 9.822 15.845 4.555) 19.191 6.399 ( 11.102 -0.938 -3.185) 11.588 6.502 ( 1.582 1.077 -1.958) 2.737 6.633 ( 4.661 -8.487 -2.278) 9.947 6.717 ( -11.953 -0.366 0.237) 11.961 6.817 ( 5.193 16.447 -0.730) 17.263 6.976 ( -1.283 0.313 4.852) 5.028 7.084 ( 4.658 5.345 9.314) 11.705 7.288 ( -4.442 4.154 2.620) 6.622 7.322 ( -1.064 -3.904 3.445) 5.314 7.427 ( 0.046 2.342 13.687) 13.886 7.857 ( 1.444 0.191 -7.841) 7.976 7.960 ( -1.890 -2.341 6.043) 6.750 8.351 ( -1.922 1.372 3.315) 4.070 8.407 ( -0.379 -2.594 -11.912) 12.197 8.499 ( 1.888 2.121 -0.363) 2.862 8.657 ( 5.173 0.008 -1.353) 5.347 8.776 ( -2.439 2.705 -2.892) 4.651 8.872 ( 3.426 -1.902 5.691) 6.909 9.064 ( -2.760 -3.378 -12.779) 13.503 9.456 ( 9.806 2.385 2.595) 10.420 9.656 ( 6.566 -0.054 -0.561) 6.590 10.003 ( 0.963 0.564 -4.476) 4.613 10.151 ( -1.426 -1.663 1.373) 2.585 10.223 ( -2.244 0.915 -4.614) 5.211 11.019 ( 1.328 0.067 2.973) 3.257 11.217 ( 4.933 -2.191 -2.451) 5.928 11.319 ( -6.550 -0.511 -5.365) 8.482 11.992 ( 6.563 -2.535 10.240) 12.424 12.737 ( 0.060 0.183 2.099) 2.108 12.928 ( 4.137 5.236 8.038) 10.447 13.209 ( 3.583 -3.630 -4.830) 7.025 13.313 ( 0.060 -3.566 -4.235) 5.536 13.390 ( 4.807 -1.944 1.798) 5.488 13.491 ( 3.064 -4.294 -3.446) 6.301 13.701 ( -5.079 3.985 6.771) 9.355 13.965 ( -1.931 0.662 2.476) 3.209 14.310 ( 1.436 -4.274 -1.187) 4.662 14.563 ( 2.756 -3.681 -7.211) 8.553 15.945 ( -4.918 3.396 -0.498) 5.997 16.131 ( -1.429 1.834 1.629) 2.839 16.866 ( -2.656 0.665 -3.196) 4.208 17.185 ( 2.530 -1.286 2.249) 3.621 17.547 ( -1.603 1.027 -0.039) 1.904 17.719 ( 1.127 2.095 0.447) 2.420 20.360 ( -1.181 -11.672 -2.733) 12.046 20.566 ( 5.150 -10.500 2.531) 11.966 21.633 ( -1.048 -1.789 0.462) 2.124 21.788 ( 0.368 -2.103 0.634) 2.227 22.249 ( -0.851 -3.118 0.210) 3.239 22.370 ( 3.247 2.710 -1.284) 4.420 23.266 ( 3.300 -0.590 -1.092) 3.526 23.794 ( -6.305 0.927 7.061) 9.512 24.151 ( 2.072 -1.046 -4.946) 5.464 25.162 ( -0.040 4.056 -2.806) 4.932 25.849 ( 1.445 -1.105 7.172) 7.399 26.134 ( -5.059 14.913 -2.536) 15.950 26.411 ( -5.399 4.064 -2.184) 7.101 26.906 ( 1.274 3.321 -0.035) 3.557 ======================= Grid point 171 (77/117) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 4.964 0.000 6.301) 8.022 2.146 ( -8.304 -0.000 -7.499) 11.189 2.427 ( 3.532 0.000 17.543) 17.895 2.912 ( 3.685 0.000 -3.410) 5.021 3.245 ( -15.175 -0.000 -8.967) 17.626 3.387 ( 4.130 0.000 0.402) 4.150 3.541 ( 8.708 0.000 14.385) 16.816 3.588 ( -2.496 -0.000 -3.485) 4.286 4.151 ( -26.375 -0.000 -0.084) 26.375 4.427 ( -24.298 -0.000 -4.410) 24.695 4.832 ( 13.889 0.000 11.144) 17.807 5.039 ( 1.989 0.000 -2.635) 3.302 5.046 ( -5.801 -0.000 -2.772) 6.429 5.137 ( -8.079 -0.000 2.459) 8.445 5.331 ( -9.167 -0.000 -1.603) 9.306 5.516 ( -16.562 -0.000 -4.922) 17.278 5.536 ( -3.037 -0.000 1.502) 3.388 5.931 ( 16.224 0.000 1.189) 16.268 5.935 ( 12.747 0.000 12.268) 17.692 6.105 ( -1.078 -0.000 -0.878) 1.391 6.330 ( -14.282 -0.000 -6.547) 15.711 6.395 ( 13.741 0.000 -1.377) 13.810 6.806 ( 5.000 0.000 -4.770) 6.910 7.043 ( -29.623 -0.000 -0.438) 29.627 7.153 ( 16.043 0.000 -24.338) 29.150 7.196 ( -14.888 -0.000 -4.562) 15.571 7.256 ( -5.551 -0.000 -4.188) 6.954 7.328 ( -9.241 -0.000 -2.778) 9.650 7.673 ( -5.516 -0.000 5.721) 7.947 7.826 ( -0.714 -0.000 7.453) 7.487 7.918 ( 17.728 0.000 16.474) 24.201 8.027 ( -8.909 -0.000 -1.504) 9.035 8.302 ( 0.637 0.000 -2.939) 3.007 8.374 ( -6.831 -0.000 2.108) 7.149 8.469 ( -1.332 -0.000 -0.686) 1.498 8.476 ( 11.676 0.000 -4.948) 12.682 8.783 ( 4.581 0.000 -2.511) 5.224 8.865 ( 3.233 0.000 1.678) 3.643 9.137 ( 10.540 0.000 10.415) 14.818 9.297 ( 6.811 0.000 -0.684) 6.845 9.432 ( -2.417 -0.000 -12.064) 12.303 9.533 ( 20.504 0.000 4.896) 21.080 9.896 ( 3.287 0.000 5.932) 6.782 10.321 ( 7.031 0.000 3.718) 7.953 11.085 ( -6.806 -0.000 0.116) 6.807 11.283 ( -4.611 -0.000 5.953) 7.530 11.680 ( 9.935 0.000 -0.286) 9.939 11.834 ( 22.213 0.000 -2.721) 22.379 11.867 ( 7.842 0.000 11.315) 13.767 12.383 ( 2.523 0.000 -24.592) 24.722 12.838 ( -3.830 -0.000 -0.287) 3.841 13.067 ( 5.861 0.000 2.938) 6.556 13.489 ( -1.759 -0.000 5.572) 5.843 13.668 ( -3.110 -0.000 -6.103) 6.850 13.854 ( 4.474 0.000 9.291) 10.312 14.077 ( -3.130 -0.000 -4.767) 5.703 14.129 ( 1.635 0.000 1.566) 2.264 14.186 ( -2.374 -0.000 -1.836) 3.000 16.315 ( -5.271 -0.000 -1.144) 5.394 16.328 ( -3.184 -0.000 -1.022) 3.344 17.011 ( 2.139 0.000 7.459) 7.759 17.150 ( -1.725 -0.000 -5.069) 5.355 17.932 ( 1.102 0.000 0.431) 1.183 17.956 ( 0.496 0.000 -1.086) 1.194 19.278 ( 0.144 0.000 2.175) 2.179 19.296 ( -2.377 -0.000 -1.066) 2.605 21.540 ( -0.894 -0.000 2.025) 2.213 21.634 ( -0.376 -0.000 -2.239) 2.271 22.082 ( 2.943 0.000 7.312) 7.882 22.412 ( 6.806 0.000 -6.104) 9.142 23.214 ( -1.320 -0.000 3.031) 3.306 23.705 ( 4.111 0.000 -13.641) 14.247 24.393 ( -10.419 -0.000 17.755) 20.586 25.427 ( 3.574 0.000 -14.759) 15.185 26.105 ( -12.499 -0.000 9.445) 15.666 26.782 ( -9.062 -0.000 2.278) 9.344 26.987 ( 0.806 0.000 4.770) 4.838 27.123 ( 14.674 0.000 -9.582) 17.526 ======================= Grid point 172 (78/117) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -13.273 -7.420 -5.919) 16.318 2.432 ( -0.193 -22.145 -2.717) 22.312 2.479 ( 2.049 2.557 24.702) 24.919 2.839 ( -6.667 4.326 -8.401) 11.564 3.094 ( -12.775 -0.784 -1.526) 12.889 3.314 ( -13.237 12.708 -8.020) 20.025 3.409 ( -0.597 7.003 -4.692) 8.450 3.665 ( 11.291 1.438 11.145) 15.931 4.009 ( -14.858 -9.150 7.129) 18.849 4.260 ( -15.546 -5.263 -5.202) 17.218 4.822 ( -2.853 9.992 -6.329) 12.167 4.923 ( -3.074 7.571 2.215) 8.466 5.033 ( -3.846 1.214 9.541) 10.358 5.116 ( -5.524 -2.647 -4.872) 7.826 5.211 ( -6.655 -1.014 9.524) 11.664 5.382 ( -16.240 -4.758 0.527) 16.931 5.571 ( 3.447 -3.751 -3.707) 6.300 5.860 ( -7.074 4.117 -1.992) 8.423 6.130 ( -2.957 -5.907 1.246) 6.722 6.174 ( -0.298 1.318 6.375) 6.517 6.195 ( -5.690 0.820 -3.476) 6.718 6.395 ( 3.405 3.219 -1.066) 4.806 6.801 ( -2.103 7.644 -8.005) 11.266 6.825 ( 5.498 0.887 0.302) 5.577 7.105 ( -8.628 -4.993 -1.601) 10.096 7.201 ( -6.240 -0.265 -14.361) 15.660 7.228 ( -0.360 0.213 -1.897) 1.943 7.285 ( 11.847 2.746 -10.160) 15.847 7.545 ( -2.711 6.607 2.708) 7.637 7.773 ( -1.425 5.734 3.306) 6.770 7.870 ( -6.590 7.339 0.746) 9.892 8.120 ( 13.723 1.749 14.323) 19.913 8.246 ( -3.190 -0.723 2.784) 4.295 8.397 ( -1.962 -4.698 -1.372) 5.273 8.483 ( -7.091 -5.435 1.371) 9.039 8.593 ( 16.292 3.749 -4.150) 17.225 8.763 ( 0.551 4.778 -1.629) 5.078 8.880 ( 3.837 2.505 3.972) 6.064 9.283 ( 4.810 1.752 -1.190) 5.256 9.407 ( 9.361 -4.329 -0.948) 10.357 9.431 ( 2.596 -5.953 -0.823) 6.546 9.675 ( 12.674 1.686 -1.530) 12.877 10.044 ( 7.240 -7.227 2.116) 10.446 10.391 ( 9.970 5.373 5.683) 12.671 10.991 ( -2.925 2.630 -1.734) 4.298 11.283 ( -0.495 -0.348 4.952) 4.989 11.583 ( 11.713 14.855 -1.682) 18.992 11.925 ( 7.776 3.916 11.764) 14.635 12.300 ( 19.684 -19.573 -1.340) 27.791 12.526 ( 9.524 -13.490 -20.921) 26.653 12.806 ( -1.803 0.075 0.442) 1.858 13.131 ( 5.191 0.272 4.815) 7.086 13.462 ( -2.333 1.765 5.598) 6.316 13.591 ( -3.391 3.212 -5.877) 7.507 13.932 ( 2.123 -2.306 8.100) 8.685 14.000 ( -5.532 2.567 -2.193) 6.481 14.116 ( -2.668 1.499 1.354) 3.347 14.240 ( 4.140 -6.184 -4.830) 8.872 16.226 ( -6.688 2.793 -0.690) 7.281 16.279 ( -4.629 1.060 -1.096) 4.873 17.034 ( -0.055 2.163 3.750) 4.330 17.100 ( -1.000 0.996 -1.829) 2.310 17.869 ( 0.042 9.137 -0.375) 9.144 17.887 ( 0.903 5.542 -0.449) 5.633 19.402 ( -1.742 -16.671 -0.227) 16.763 19.491 ( 1.354 -20.447 1.189) 20.526 21.544 ( -1.207 -1.118 1.928) 2.535 21.641 ( -0.287 -1.787 -1.992) 2.692 22.137 ( 3.722 -0.521 7.385) 8.286 22.466 ( 7.792 1.580 -5.549) 9.696 23.215 ( 0.492 -0.310 1.211) 1.344 23.727 ( 3.278 -1.075 -11.014) 11.542 24.307 ( -9.359 1.819 14.906) 17.694 25.396 ( 0.469 2.793 -12.820) 13.129 25.979 ( -11.029 1.990 7.981) 13.758 26.675 ( -8.601 2.377 3.303) 9.515 26.943 ( 0.189 7.109 4.471) 8.401 27.186 ( 10.640 6.711 -9.409) 15.709 ======================= Grid point 173 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -17.989 -16.580 -11.887) 27.199 2.300 ( -22.931 8.450 11.785) 27.131 2.525 ( -7.563 7.470 3.101) 11.074 2.833 ( -14.021 13.182 -4.687) 19.807 2.912 ( -7.181 -14.861 -7.971) 18.329 3.037 ( -6.185 -4.437 5.665) 9.489 3.418 ( 1.819 -7.407 -1.201) 7.721 3.746 ( 8.887 4.407 5.171) 11.187 4.009 ( -11.308 -2.180 -2.716) 11.832 4.200 ( -9.419 -2.134 -5.488) 11.108 4.598 ( -10.017 -1.770 -8.041) 12.967 4.801 ( 1.547 8.233 8.143) 11.683 4.951 ( -16.183 -2.729 4.205) 16.942 5.073 ( -3.369 -0.207 -7.220) 7.970 5.202 ( -0.044 3.274 18.425) 18.713 5.329 ( -8.381 -3.969 1.644) 9.418 5.666 ( -2.664 0.678 -4.192) 5.013 5.745 ( -1.313 -1.276 0.788) 1.994 5.893 ( -20.771 5.770 3.832) 21.895 6.119 ( -11.267 -8.156 -9.578) 16.888 6.243 ( 2.523 -4.260 1.326) 5.126 6.584 ( 12.738 -5.004 7.677) 15.692 6.667 ( 1.321 5.608 -10.908) 12.336 6.822 ( 9.624 12.036 2.176) 15.563 7.059 ( -0.859 5.068 -0.996) 5.236 7.163 ( -4.988 -5.881 -10.658) 13.155 7.211 ( -0.895 -1.099 -5.118) 5.310 7.337 ( 11.642 6.108 7.470) 15.121 7.488 ( 2.600 3.858 -6.497) 7.991 7.613 ( -0.806 10.660 7.848) 13.262 7.731 ( 2.890 3.773 -4.103) 6.279 8.134 ( 0.781 3.554 -1.227) 3.840 8.305 ( 4.433 1.213 7.153) 8.502 8.438 ( -1.207 -1.842 -0.747) 2.326 8.516 ( -8.721 -7.820 3.273) 12.162 8.660 ( 3.433 5.066 -2.123) 6.477 8.677 ( 5.309 1.289 0.810) 5.523 8.899 ( 5.902 2.241 6.951) 9.390 9.220 ( 4.211 8.174 -4.356) 10.174 9.501 ( 1.961 -2.347 -1.862) 3.580 9.626 ( 11.339 -3.662 1.666) 12.031 9.840 ( 8.252 -8.200 -1.412) 11.719 10.179 ( 1.864 -1.556 -1.758) 2.997 10.335 ( 6.134 10.479 0.350) 12.148 10.981 ( 2.522 -1.553 -1.348) 3.254 11.281 ( 4.967 3.491 0.427) 6.086 11.464 ( 9.037 11.577 -2.989) 14.987 11.987 ( 9.217 1.953 13.699) 16.626 12.737 ( 2.803 -4.127 -0.155) 4.991 12.823 ( 15.781 -14.691 -2.821) 21.744 12.898 ( 10.276 -11.462 -9.861) 18.282 13.176 ( 2.684 0.066 4.107) 4.906 13.419 ( -0.382 2.014 4.765) 5.187 13.483 ( -3.699 3.423 -6.478) 8.208 13.868 ( -6.847 4.677 4.485) 9.427 13.995 ( -0.173 -0.052 2.906) 2.912 14.099 ( -1.634 -4.467 1.547) 5.002 14.395 ( 5.253 -6.547 -5.673) 10.131 16.088 ( -7.922 4.437 -0.053) 9.080 16.198 ( -5.011 2.061 -0.730) 5.467 16.937 ( -3.520 4.083 -3.210) 6.274 17.130 ( 1.662 -1.719 4.134) 4.776 17.699 ( -1.449 8.916 0.433) 9.044 17.812 ( 0.943 4.000 -1.287) 4.306 19.740 ( -0.124 -23.043 -1.376) 23.084 19.931 ( 5.803 -25.530 1.762) 26.241 21.559 ( -1.316 -1.900 1.460) 2.734 21.679 ( -0.204 -3.365 -1.289) 3.609 22.193 ( 3.068 -0.319 6.400) 7.105 22.489 ( 6.463 3.426 -4.069) 8.370 23.244 ( 3.600 -0.600 -1.302) 3.875 23.766 ( 2.017 -1.762 -4.560) 5.289 24.204 ( -6.460 2.870 8.811) 11.296 25.308 ( -1.614 4.085 -9.850) 10.785 25.866 ( -7.418 1.329 8.085) 11.052 26.538 ( -8.637 4.424 2.506) 10.022 26.749 ( -1.787 16.176 -0.002) 16.274 27.097 ( 1.968 8.597 -5.383) 10.333 ======================= Grid point 174 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -25.860 20.303 -11.036) 34.681 2.229 ( -13.449 4.065 4.803) 14.848 2.275 ( -18.623 -22.267 -5.466) 29.538 2.639 ( -9.084 1.890 4.497) 10.311 2.988 ( -9.335 -9.026 -3.462) 13.439 3.111 ( -1.438 -6.048 5.780) 8.488 3.552 ( -11.115 -3.069 -4.157) 12.257 3.683 ( 6.763 1.892 -2.686) 7.519 4.011 ( -2.953 -7.211 1.516) 7.938 4.106 ( -4.376 -1.377 -13.770) 14.514 4.671 ( 1.572 3.950 5.670) 7.087 4.723 ( -6.944 -12.395 -1.097) 14.250 4.817 ( -16.188 0.565 3.478) 16.567 4.987 ( -6.201 0.203 -10.680) 12.352 5.241 ( 7.921 5.151 19.707) 21.855 5.316 ( -0.163 -0.368 1.850) 1.893 5.543 ( -5.202 2.509 4.328) 7.217 5.676 ( -11.913 -0.660 2.739) 12.242 5.792 ( -6.394 -4.362 -4.683) 9.047 6.167 ( -9.916 -8.890 -5.682) 14.479 6.360 ( -3.985 -10.774 -0.606) 11.503 6.589 ( 7.267 4.873 -1.951) 8.964 6.695 ( 3.932 6.014 2.063) 7.475 6.745 ( 6.221 6.946 0.662) 9.348 6.976 ( 0.141 3.172 1.914) 3.707 7.163 ( 2.315 7.716 -5.613) 9.818 7.207 ( -1.704 -4.609 -9.612) 10.795 7.343 ( 8.871 6.390 10.612) 15.236 7.394 ( 11.465 10.856 1.561) 15.866 7.531 ( 4.006 5.994 13.114) 14.965 7.776 ( 1.613 -5.524 -11.404) 12.773 8.058 ( 0.850 6.508 -0.612) 6.591 8.274 ( -8.137 -1.146 -2.911) 8.718 8.393 ( -3.674 3.649 3.001) 5.985 8.547 ( 1.564 -0.265 -0.779) 1.767 8.654 ( 0.868 -1.520 -0.672) 1.875 8.739 ( 0.887 -2.601 4.263) 5.072 8.947 ( 6.759 1.774 7.059) 9.933 9.107 ( 3.231 8.004 -5.079) 10.015 9.554 ( 4.307 -1.019 -0.414) 4.445 9.772 ( 11.209 1.313 -0.648) 11.304 10.035 ( 5.119 -5.756 -1.903) 7.934 10.128 ( -3.122 3.268 -1.880) 4.895 10.236 ( 2.160 5.976 -4.062) 7.541 11.035 ( 3.042 -0.037 0.199) 3.048 11.282 ( 7.245 3.506 -4.630) 9.286 11.384 ( 8.364 7.868 -1.064) 11.533 12.089 ( 10.131 0.761 11.132) 15.071 12.750 ( -0.016 0.714 2.392) 2.497 13.047 ( 0.538 2.373 7.757) 8.130 13.163 ( 7.063 -6.710 -3.301) 10.286 13.235 ( 0.516 -4.097 -7.547) 8.603 13.412 ( 2.411 -1.428 -9.001) 9.427 13.456 ( 5.220 -2.480 4.415) 7.272 13.731 ( -5.928 4.548 5.635) 9.358 13.972 ( -0.796 1.206 3.564) 3.845 14.218 ( 1.135 -7.666 1.365) 7.869 14.518 ( 3.229 -3.968 -6.833) 8.536 15.938 ( -7.110 3.352 0.213) 7.863 16.124 ( -4.138 0.752 0.339) 4.219 16.856 ( -1.848 1.453 -3.495) 4.212 17.184 ( 1.264 -1.878 3.114) 3.850 17.573 ( -1.567 4.265 0.689) 4.595 17.766 ( 0.659 2.556 -1.175) 2.889 20.101 ( 0.883 -18.707 -1.646) 18.800 20.400 ( 9.393 -19.197 1.186) 21.404 21.586 ( -0.950 -2.435 1.004) 2.800 21.736 ( -0.510 -3.759 -0.616) 3.843 22.231 ( 1.726 -0.081 4.524) 4.843 22.475 ( 5.066 4.362 -2.832) 7.260 23.300 ( 6.456 -0.367 -3.673) 7.436 23.778 ( -3.438 1.459 8.449) 9.237 24.146 ( 0.846 -0.280 -3.234) 3.354 25.203 ( -3.158 3.557 -5.945) 7.614 25.836 ( -1.583 -1.859 9.243) 9.560 26.307 ( -11.183 14.368 -0.890) 18.228 26.443 ( -6.284 9.553 -3.648) 12.003 26.968 ( -2.639 4.969 -0.889) 5.696 ======================= Grid point 182 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -14.241 -0.000 -7.047) 15.890 2.145 ( -2.138 -0.000 -6.315) 6.667 2.523 ( -8.948 -0.000 31.707) 32.945 2.767 ( -17.529 -0.000 -5.132) 18.265 2.942 ( -7.088 -0.000 -8.311) 10.922 3.357 ( -6.854 -0.000 1.406) 6.997 3.432 ( -9.503 -0.000 -12.453) 15.665 3.756 ( -14.121 -0.000 10.666) 17.697 3.819 ( 7.449 0.000 7.063) 10.265 4.029 ( -8.140 -0.000 -5.924) 10.068 4.821 ( -15.897 -0.000 -14.207) 21.320 4.912 ( -11.711 -0.000 -6.490) 13.390 4.972 ( -19.379 -0.000 9.902) 21.762 5.018 ( -8.932 -0.000 1.540) 9.063 5.175 ( -1.556 -0.000 25.243) 25.291 5.204 ( -8.446 -0.000 -2.245) 8.739 5.554 ( -19.482 -0.000 -1.493) 19.539 5.597 ( 6.690 0.000 -3.770) 7.679 5.995 ( -16.582 -0.000 -6.243) 17.718 6.248 ( 10.887 0.000 -1.535) 10.995 6.313 ( 2.383 0.000 8.840) 9.156 6.504 ( 11.827 0.000 0.914) 11.862 6.734 ( -10.717 -0.000 -8.106) 13.437 6.871 ( -8.980 -0.000 -11.278) 14.417 7.024 ( 15.209 0.000 4.080) 15.747 7.104 ( -4.531 -0.000 -15.930) 16.562 7.322 ( 12.547 0.000 -3.674) 13.074 7.401 ( 7.534 0.000 -11.541) 13.782 7.646 ( -2.227 -0.000 1.978) 2.978 7.788 ( 0.521 0.000 -1.451) 1.541 7.813 ( -9.018 -0.000 8.464) 12.368 8.177 ( -2.268 -0.000 28.445) 28.536 8.210 ( -2.440 -0.000 -2.545) 3.526 8.366 ( -0.252 -0.000 0.900) 0.935 8.491 ( 11.256 0.000 -5.695) 12.615 8.770 ( 2.807 0.000 -10.907) 11.262 8.843 ( 12.366 0.000 -2.372) 12.591 8.954 ( 4.142 0.000 7.625) 8.677 9.294 ( 2.307 0.000 -4.585) 5.132 9.398 ( 1.412 0.000 2.992) 3.308 9.468 ( 9.250 0.000 -0.946) 9.299 9.819 ( 8.124 0.000 -7.484) 11.046 10.029 ( 4.990 0.000 5.413) 7.362 10.644 ( 21.022 0.000 12.961) 24.696 11.013 ( 0.590 0.000 -1.031) 1.188 11.290 ( 4.737 0.000 3.963) 6.177 11.913 ( 12.189 0.000 1.222) 12.250 12.087 ( 8.361 0.000 11.674) 14.359 12.206 ( 10.113 0.000 -6.466) 12.004 12.498 ( 20.964 0.000 -21.009) 29.679 12.803 ( -0.279 -0.000 2.321) 2.337 13.192 ( 4.050 0.000 5.838) 7.105 13.459 ( -2.935 -0.000 5.963) 6.646 13.557 ( -5.537 -0.000 -6.125) 8.257 13.956 ( -6.901 -0.000 -1.163) 6.999 13.962 ( 2.310 0.000 8.673) 8.976 14.123 ( -2.044 -0.000 -4.063) 4.548 14.200 ( 5.115 0.000 -1.642) 5.372 16.181 ( -6.953 -0.000 -0.392) 6.964 16.228 ( -5.845 -0.000 -1.275) 5.983 17.073 ( -3.846 -0.000 -5.705) 6.880 17.080 ( 1.630 0.000 6.839) 7.031 17.955 ( 0.843 0.000 -0.164) 0.859 17.968 ( 0.951 0.000 -0.975) 1.362 19.236 ( -3.052 -0.000 -0.076) 3.053 19.277 ( -0.975 -0.000 1.699) 1.959 21.527 ( -1.138 -0.000 2.279) 2.548 21.617 ( -0.408 -0.000 -2.374) 2.409 22.194 ( 4.610 0.000 8.779) 9.916 22.553 ( 7.619 0.000 -4.819) 9.015 23.233 ( 3.908 0.000 -1.632) 4.235 23.730 ( 2.850 0.000 -7.660) 8.173 24.262 ( -7.438 -0.000 13.084) 15.050 25.386 ( -2.111 -0.000 -13.784) 13.944 25.894 ( -10.845 -0.000 8.361) 13.694 26.616 ( -8.221 -0.000 4.255) 9.257 26.998 ( -2.559 -0.000 8.496) 8.873 27.356 ( 11.627 0.000 -14.677) 18.724 ======================= Grid point 183 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -17.821 -1.790 -7.981) 19.608 2.162 ( -25.261 -0.882 5.359) 25.839 2.478 ( -22.881 1.876 13.418) 26.591 2.579 ( -6.802 -12.364 -2.172) 14.278 2.927 ( 0.374 -0.668 -1.851) 2.003 2.973 ( -12.224 16.844 -4.546) 21.303 3.335 ( -7.215 1.454 2.060) 7.643 3.749 ( -17.282 -12.362 1.734) 21.319 3.891 ( 1.442 -2.754 3.588) 4.747 4.058 ( -1.734 -1.309 -8.853) 9.116 4.479 ( -16.297 7.210 -18.216) 25.484 4.595 ( -41.753 -1.386 8.973) 42.729 4.905 ( -10.822 -8.058 -8.248) 15.814 4.929 ( -4.738 2.240 7.372) 9.045 5.158 ( -7.193 -6.361 -3.774) 10.318 5.258 ( -1.809 -1.693 26.416) 26.532 5.561 ( 6.404 -1.233 0.869) 6.579 5.675 ( 4.102 -3.053 -3.337) 6.106 5.843 ( -15.420 -3.674 -4.277) 16.418 6.043 ( -4.595 18.337 3.812) 19.284 6.347 ( 4.765 3.597 -0.704) 6.012 6.606 ( -4.030 -3.438 -7.361) 9.069 6.717 ( 12.114 -0.517 1.346) 12.200 6.862 ( -5.480 -8.803 -16.024) 19.087 7.067 ( 5.429 0.621 -7.015) 8.892 7.228 ( 5.729 -3.114 3.187) 7.257 7.279 ( 4.597 13.045 -6.049) 15.096 7.452 ( 3.673 -2.824 -7.968) 9.217 7.571 ( 6.195 5.501 -2.246) 8.584 7.745 ( 1.934 3.827 12.805) 13.504 7.821 ( 0.993 1.604 2.604) 3.216 8.140 ( -1.213 3.214 -0.977) 3.571 8.293 ( -3.202 -6.151 12.798) 14.556 8.381 ( -0.665 -0.724 4.456) 4.563 8.533 ( 10.478 4.751 -4.064) 12.202 8.729 ( -0.818 1.540 -8.227) 8.410 8.858 ( 8.214 9.920 -0.585) 12.893 9.008 ( 5.402 1.519 9.102) 10.693 9.315 ( 1.103 0.473 -7.942) 8.033 9.489 ( 3.666 -3.354 6.178) 7.928 9.615 ( 9.184 -8.793 -2.444) 12.947 9.845 ( 6.079 1.237 -6.452) 8.950 10.107 ( -2.568 -3.579 2.329) 4.983 10.726 ( 16.026 18.062 7.292) 25.224 11.024 ( 8.091 0.167 2.062) 8.351 11.393 ( 11.552 0.489 -1.608) 11.673 11.837 ( 11.735 16.616 -0.168) 20.343 12.148 ( 9.302 2.356 11.908) 15.293 12.535 ( 6.286 -21.541 -5.209) 23.036 12.793 ( 7.473 -3.195 -5.052) 9.569 12.847 ( 15.794 -9.170 -7.247) 19.648 13.227 ( 1.770 1.273 6.528) 6.883 13.442 ( -0.546 0.001 5.755) 5.781 13.467 ( -6.239 1.837 -6.660) 9.309 13.859 ( -7.205 2.462 0.883) 7.665 14.005 ( 1.577 -1.735 7.999) 8.336 14.063 ( -1.100 2.912 -1.150) 3.318 14.329 ( 5.699 -6.508 -3.495) 9.330 16.075 ( -7.636 3.637 0.143) 8.459 16.160 ( -6.329 0.570 -1.276) 6.482 16.967 ( -4.411 4.777 -4.342) 7.818 17.121 ( 0.513 -1.577 4.849) 5.125 17.865 ( -0.481 10.996 -0.186) 11.008 17.897 ( 0.292 5.595 -1.356) 5.764 19.365 ( -1.464 -18.951 -0.014) 19.007 19.539 ( 3.109 -26.080 1.360) 26.300 21.527 ( -1.108 -0.882 2.111) 2.542 21.626 ( -0.333 -2.046 -2.114) 2.961 22.252 ( 4.181 0.690 9.059) 10.001 22.593 ( 4.903 2.125 -2.847) 6.054 23.293 ( 8.884 -0.053 -5.184) 10.286 23.763 ( 3.449 -1.042 -1.208) 3.800 24.204 ( -4.719 1.908 9.347) 10.643 25.306 ( -4.560 2.026 -14.056) 14.916 25.812 ( -7.438 -0.087 10.483) 12.854 26.518 ( -8.067 2.828 3.793) 9.352 26.922 ( -5.120 7.025 7.952) 11.781 27.294 ( 3.014 13.745 -16.717) 21.851 ======================= Grid point 184 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -21.614 -10.479 -20.525) 31.595 1.777 ( -28.330 3.232 10.832) 30.502 2.164 ( -23.771 7.677 7.094) 25.968 2.493 ( -19.368 -2.852 7.647) 21.017 2.859 ( 2.336 -0.464 -5.391) 5.894 3.018 ( 0.490 -5.327 7.551) 9.254 3.366 ( -11.949 -8.229 4.283) 15.128 3.601 ( -16.021 -3.396 -18.579) 24.766 3.927 ( -15.673 -2.381 7.870) 17.699 3.978 ( 2.448 -4.383 -16.729) 17.466 4.293 ( -24.335 -7.847 -0.372) 25.571 4.437 ( -17.979 -14.316 5.813) 23.706 4.862 ( -1.499 2.059 0.278) 2.562 4.896 ( -6.702 -1.840 -5.371) 8.784 5.196 ( -8.414 -7.153 -7.916) 13.588 5.302 ( -1.298 -3.244 25.617) 25.854 5.623 ( 9.071 4.354 2.189) 10.297 5.692 ( -0.980 9.473 4.591) 10.573 5.713 ( -3.307 3.936 -0.941) 5.226 5.931 ( -3.436 -12.492 -1.142) 13.006 6.307 ( 1.290 4.116 -2.823) 5.155 6.581 ( -6.970 -4.303 -7.568) 11.152 6.796 ( 1.949 3.078 -2.013) 4.163 6.917 ( -1.115 1.951 2.221) 3.160 7.085 ( 8.028 8.456 -6.841) 13.518 7.125 ( 5.215 -0.903 -17.799) 18.569 7.261 ( 2.500 0.295 0.587) 2.585 7.551 ( 2.182 -2.800 -0.313) 3.564 7.564 ( 11.739 7.551 0.621) 13.972 7.718 ( 5.578 7.030 10.741) 13.996 7.814 ( 6.117 3.884 0.931) 7.305 8.105 ( 2.508 1.600 1.574) 3.365 8.227 ( -8.482 3.201 -3.668) 9.780 8.417 ( -1.194 1.521 12.784) 12.930 8.570 ( 6.223 1.733 -2.269) 6.846 8.701 ( 2.070 2.270 -4.280) 5.268 8.771 ( 3.464 4.887 3.552) 6.964 9.038 ( 3.303 1.453 6.726) 7.633 9.261 ( 0.534 5.565 -3.031) 6.359 9.575 ( 5.865 -1.355 1.464) 6.195 9.866 ( 9.019 -4.430 0.539) 10.063 9.911 ( 1.560 -7.555 -9.876) 12.532 10.064 ( -10.230 -0.066 1.441) 10.331 10.547 ( 12.462 17.393 1.439) 21.445 11.123 ( 10.239 2.825 1.902) 10.790 11.463 ( 13.226 5.822 -4.608) 15.168 11.689 ( 12.006 14.073 -1.760) 18.582 12.239 ( 10.124 1.560 11.222) 15.194 12.757 ( -1.000 -1.043 2.878) 3.220 12.963 ( 2.595 -11.826 0.612) 12.123 13.152 ( 7.163 -6.082 -9.916) 13.661 13.205 ( -0.043 2.393 3.697) 4.404 13.375 ( -1.126 -0.826 -11.178) 11.265 13.504 ( 6.351 -1.925 4.322) 7.919 13.750 ( -4.268 3.248 3.709) 6.521 14.009 ( 0.827 2.901 2.237) 3.756 14.112 ( 1.915 -6.814 6.711) 9.754 14.472 ( 4.120 -4.706 -4.275) 7.576 15.920 ( -8.250 4.148 0.827) 9.271 16.080 ( -6.140 0.530 -0.880) 6.226 16.859 ( -2.231 2.137 -3.297) 4.518 17.161 ( -0.205 -2.131 3.379) 4.000 17.669 ( -1.685 9.320 0.730) 9.500 17.818 ( 0.361 3.668 -2.722) 4.582 19.751 ( 1.535 -24.377 0.363) 24.428 20.110 ( 12.338 -29.360 -1.331) 31.875 21.543 ( -0.787 -1.846 1.736) 2.654 21.665 ( -0.578 -3.405 -1.658) 3.831 22.286 ( 3.179 1.716 8.285) 9.039 22.583 ( 3.617 3.181 -1.960) 5.200 23.387 ( 12.427 0.853 -7.501) 14.540 23.811 ( 2.276 1.498 11.169) 11.497 24.151 ( -0.343 1.098 0.120) 1.156 25.184 ( -7.178 2.132 -10.704) 13.063 25.805 ( -0.909 -2.067 11.911) 12.123 26.356 ( -10.225 6.832 1.029) 12.340 26.608 ( -13.456 20.785 -4.059) 25.091 27.013 ( -8.254 8.105 -5.271) 12.712 ======================= Grid point 193 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -17.751 -0.000 3.555) 18.103 1.851 ( -26.911 -0.000 6.445) 27.672 2.284 ( -22.304 -0.000 -1.988) 22.393 2.357 ( -8.223 -0.000 5.098) 9.675 2.867 ( -11.745 -0.000 5.184) 12.839 3.097 ( -18.614 -0.000 -4.667) 19.190 3.227 ( -5.172 -0.000 -8.404) 9.868 3.392 ( -28.568 -0.000 17.676) 33.594 3.650 ( -16.253 -0.000 8.364) 18.279 4.127 ( 8.879 0.000 -18.962) 20.938 4.238 ( -30.539 -0.000 3.374) 30.725 4.329 ( -23.253 -0.000 -25.792) 34.727 4.656 ( -9.343 -0.000 -10.673) 14.185 4.881 ( -3.413 -0.000 6.009) 6.911 5.084 ( -0.519 -0.000 0.316) 0.608 5.263 ( -3.561 -0.000 29.026) 29.244 5.554 ( -17.235 -0.000 -0.930) 17.260 5.700 ( 16.258 0.000 -0.128) 16.259 5.802 ( 8.362 0.000 -1.613) 8.517 6.251 ( -9.500 -0.000 2.469) 9.815 6.315 ( -2.029 -0.000 -6.088) 6.417 6.436 ( -8.103 -0.000 -5.800) 9.965 6.697 ( -0.735 -0.000 -27.826) 27.835 6.878 ( 15.053 0.000 6.588) 16.431 7.182 ( 12.455 0.000 -1.769) 12.580 7.190 ( -6.320 -0.000 8.390) 10.504 7.354 ( -6.241 -0.000 -1.746) 6.481 7.421 ( 3.210 0.000 -18.438) 18.715 7.737 ( 12.992 0.000 1.245) 13.052 7.820 ( 1.140 0.000 11.786) 11.841 7.847 ( 3.552 0.000 2.152) 4.153 8.214 ( 3.231 0.000 2.129) 3.870 8.264 ( 4.910 0.000 0.379) 4.925 8.389 ( 2.029 0.000 11.590) 11.766 8.672 ( -4.356 -0.000 -9.574) 10.518 8.684 ( 8.522 0.000 -4.235) 9.516 9.069 ( 2.157 0.000 9.619) 9.857 9.081 ( 8.367 0.000 -3.184) 8.953 9.298 ( 1.567 0.000 -5.960) 6.163 9.470 ( 3.515 0.000 8.053) 8.787 9.613 ( 4.846 0.000 -5.587) 7.396 9.908 ( 5.453 0.000 -10.775) 12.076 10.048 ( -5.880 -0.000 7.335) 9.401 11.101 ( 9.743 0.000 -1.627) 9.878 11.201 ( 25.329 0.000 10.794) 27.533 11.527 ( 16.336 0.000 1.942) 16.451 12.158 ( 7.113 0.000 10.154) 12.398 12.271 ( 1.930 0.000 -11.004) 11.172 12.285 ( 9.086 0.000 8.696) 12.577 12.821 ( 2.172 0.000 1.613) 2.705 12.918 ( 18.841 0.000 -14.168) 23.574 13.267 ( 1.165 0.000 5.728) 5.845 13.395 ( -7.901 -0.000 -5.270) 9.497 13.439 ( -0.404 -0.000 5.368) 5.383 13.813 ( -6.022 -0.000 3.945) 7.199 14.010 ( 0.602 0.000 9.667) 9.686 14.122 ( 4.248 0.000 -3.737) 5.658 14.322 ( 6.670 0.000 -0.487) 6.688 16.042 ( -6.317 -0.000 -0.151) 6.318 16.087 ( -7.361 -0.000 -1.332) 7.480 16.958 ( -4.917 -0.000 -5.392) 7.297 17.115 ( -0.497 -0.000 4.475) 4.503 17.961 ( -0.085 -0.000 -0.675) 0.680 17.981 ( 0.488 0.000 -0.760) 0.903 19.183 ( -2.119 -0.000 2.259) 3.097 19.252 ( -1.799 -0.000 1.039) 2.077 21.513 ( -1.092 -0.000 2.482) 2.711 21.602 ( -0.049 -0.000 -2.456) 2.457 22.322 ( 4.217 0.000 10.627) 11.433 22.638 ( 1.253 0.000 -0.375) 1.308 23.407 ( 15.557 0.000 -9.152) 18.050 23.809 ( 7.130 0.000 4.491) 8.427 24.205 ( -1.891 -0.000 10.476) 10.646 25.226 ( -8.564 -0.000 -16.999) 19.035 25.774 ( -2.924 -0.000 12.833) 13.162 26.475 ( -7.116 -0.000 4.193) 8.260 26.918 ( -9.570 -0.000 10.895) 14.501 27.438 ( 1.845 0.000 -28.280) 28.340 ======================= Grid point 194 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -21.989 3.140 1.953) 22.298 1.579 ( -30.714 1.379 12.039) 33.018 1.991 ( -21.734 7.223 6.236) 23.737 2.346 ( -14.046 1.497 -4.682) 14.881 2.764 ( -26.516 -17.895 8.723) 33.158 2.872 ( -7.894 -6.923 7.002) 12.620 3.107 ( -16.336 6.849 7.663) 19.300 3.286 ( -14.610 -8.335 -13.082) 21.309 3.656 ( -19.767 -9.322 0.731) 21.867 3.739 ( -20.073 6.130 -8.932) 22.810 4.094 ( -10.540 -0.635 6.165) 12.227 4.243 ( 1.267 -3.561 -22.124) 22.445 4.636 ( -9.059 -8.508 -14.178) 18.854 4.902 ( -0.139 -1.493 6.719) 6.884 5.074 ( -3.689 0.975 -4.952) 6.252 5.251 ( -7.552 -2.048 19.071) 20.614 5.522 ( -8.078 -12.428 2.363) 15.010 5.832 ( 6.956 6.634 1.691) 9.760 5.850 ( 16.102 3.666 -0.913) 16.539 6.008 ( -1.888 11.268 6.258) 13.026 6.304 ( -7.188 -2.461 -13.980) 15.911 6.373 ( -7.137 -3.837 -3.135) 8.688 6.752 ( 0.032 -5.206 -14.245) 15.167 6.986 ( 4.766 3.170 3.414) 6.664 7.150 ( -2.150 -2.735 -1.552) 3.810 7.193 ( -2.306 4.447 -8.310) 9.703 7.301 ( 6.771 1.899 -1.500) 7.191 7.506 ( 3.012 -5.325 -5.160) 8.004 7.795 ( 4.997 3.213 -1.036) 6.030 7.852 ( 5.537 3.712 15.449) 16.826 7.933 ( 11.974 -1.048 0.049) 12.020 8.198 ( 1.574 5.621 4.811) 7.565 8.254 ( 3.746 5.003 -5.786) 8.517 8.448 ( 0.922 -0.327 11.459) 11.501 8.634 ( -0.302 -0.740 -5.062) 5.125 8.756 ( 8.470 1.223 -4.852) 9.837 8.966 ( 1.796 10.959 5.402) 12.349 9.104 ( 0.914 2.939 4.628) 5.558 9.295 ( -1.781 1.336 -0.907) 2.404 9.612 ( 6.112 -3.205 1.872) 7.150 9.704 ( 2.345 -10.277 -8.144) 13.321 9.923 ( -2.208 1.921 -8.795) 9.270 9.984 ( -4.027 -0.849 7.017) 8.135 11.003 ( 11.533 20.281 0.246) 23.332 11.359 ( 18.477 7.400 5.983) 20.783 11.700 ( 17.073 3.740 -3.684) 17.862 11.999 ( 3.068 12.153 1.602) 12.636 12.373 ( 7.126 0.287 6.837) 9.880 12.617 ( 2.755 -16.395 4.782) 17.299 12.862 ( 3.212 -3.452 2.682) 5.424 13.109 ( 8.543 -5.340 -14.339) 17.525 13.250 ( -2.394 3.381 4.034) 5.782 13.308 ( -4.195 -1.827 -7.990) 9.207 13.499 ( 1.539 -4.138 1.199) 4.575 13.782 ( 1.864 1.033 10.432) 10.648 14.073 ( 4.238 -2.968 9.571) 10.880 14.124 ( 7.114 5.494 0.650) 9.013 14.437 ( 5.383 -4.398 -0.888) 7.007 15.916 ( -8.090 5.294 0.237) 9.671 16.013 ( -7.550 -0.000 -1.443) 7.687 16.866 ( -3.157 2.644 -3.109) 5.160 17.125 ( -1.690 -1.615 2.768) 3.623 17.846 ( -1.251 12.640 -0.119) 12.703 17.890 ( -0.238 5.551 -2.313) 6.018 19.353 ( 0.076 -22.389 2.387) 22.516 19.665 ( 10.821 -37.395 -2.592) 39.015 21.515 ( -0.879 -0.992 2.364) 2.710 21.614 ( -0.013 -1.789 -2.280) 2.899 22.372 ( 4.032 1.703 10.965) 11.806 22.634 ( 0.292 0.665 0.341) 0.803 23.561 ( 19.899 1.832 -10.391) 22.523 23.929 ( 12.975 0.524 13.968) 19.072 24.192 ( 0.546 3.590 9.359) 10.039 25.084 ( -11.593 0.314 -13.850) 18.064 25.811 ( 3.488 -1.124 12.179) 12.718 26.363 ( -8.607 5.444 2.122) 10.403 26.749 ( -16.341 11.245 4.562) 20.354 27.078 ( -19.474 20.820 -27.199) 39.402 ======================= Grid point 204 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -28.623 -0.000 22.993) 36.715 1.234 ( -36.495 -0.000 22.114) 42.672 2.025 ( -39.915 -0.000 21.165) 45.179 2.074 ( 2.256 0.000 2.140) 3.110 2.286 ( -21.617 -0.000 6.481) 22.568 2.591 ( -24.597 -0.000 -9.404) 26.333 2.955 ( -16.274 -0.000 -21.999) 27.364 3.280 ( 2.069 0.000 12.559) 12.728 3.351 ( -14.082 -0.000 2.195) 14.252 3.665 ( -17.975 -0.000 -19.567) 26.570 3.976 ( -10.271 -0.000 8.251) 13.175 4.113 ( -3.475 -0.000 -13.867) 14.296 4.474 ( -2.574 -0.000 -22.410) 22.557 4.899 ( 1.171 0.000 7.480) 7.571 5.105 ( 1.788 0.000 -2.479) 3.056 5.120 ( -12.501 -0.000 0.391) 12.507 5.342 ( -5.908 -0.000 14.810) 15.945 5.965 ( 2.031 0.000 2.304) 3.072 5.990 ( -2.903 -0.000 -9.019) 9.475 6.044 ( 5.369 0.000 2.855) 6.080 6.261 ( 7.190 0.000 -14.944) 16.584 6.361 ( 0.549 0.000 3.332) 3.376 6.625 ( -1.207 -0.000 -14.791) 14.840 6.955 ( -11.867 -0.000 4.389) 12.653 7.169 ( 9.139 0.000 1.176) 9.214 7.187 ( -6.798 -0.000 0.449) 6.813 7.386 ( -3.698 -0.000 -22.942) 23.239 7.399 ( 4.938 0.000 1.065) 5.052 7.820 ( -0.224 -0.000 5.625) 5.630 7.996 ( 6.462 0.000 10.797) 12.583 8.017 ( 11.287 0.000 3.720) 11.884 8.320 ( 4.368 0.000 4.021) 5.937 8.339 ( 4.507 0.000 -7.423) 8.684 8.479 ( 1.179 0.000 7.346) 7.440 8.594 ( 0.113 0.000 -3.485) 3.487 8.852 ( 8.393 0.000 1.063) 8.460 9.075 ( -4.580 -0.000 8.095) 9.301 9.133 ( -2.604 -0.000 -2.111) 3.352 9.284 ( -2.923 -0.000 0.563) 2.977 9.642 ( 2.325 0.000 -9.234) 9.523 9.648 ( 11.403 0.000 6.834) 13.294 9.888 ( -10.757 -0.000 8.851) 13.930 9.935 ( -0.854 -0.000 -10.159) 10.194 11.315 ( 11.391 0.000 -9.267) 14.684 11.666 ( 12.670 0.000 -11.628) 17.197 11.900 ( 17.373 0.000 1.114) 17.409 12.220 ( -3.193 -0.000 -7.668) 8.306 12.248 ( -0.278 -0.000 22.993) 22.995 12.576 ( 11.515 0.000 5.158) 12.617 12.859 ( 0.683 0.000 4.667) 4.717 13.097 ( 5.181 0.000 -13.327) 14.299 13.238 ( -2.992 -0.000 -0.346) 3.012 13.284 ( -1.413 -0.000 0.720) 1.585 13.445 ( -1.674 -0.000 -0.682) 1.807 13.917 ( 20.220 0.000 28.310) 34.790 14.099 ( 2.907 0.000 10.616) 11.007 14.317 ( 15.465 0.000 -0.147) 15.466 14.444 ( 4.544 0.000 0.660) 4.592 15.904 ( -8.101 -0.000 -2.649) 8.523 15.918 ( -8.251 -0.000 -1.711) 8.426 16.857 ( -2.449 -0.000 -2.860) 3.765 17.090 ( -2.912 -0.000 1.567) 3.307 17.953 ( -0.181 -0.000 -0.353) 0.397 17.980 ( -0.338 -0.000 -0.416) 0.536 19.196 ( 3.024 0.000 4.954) 5.804 19.222 ( -1.246 -0.000 0.961) 1.573 21.502 ( -0.903 -0.000 2.514) 2.671 21.597 ( 0.454 0.000 -2.388) 2.430 22.463 ( 6.602 0.000 11.210) 13.009 22.626 ( -1.849 -0.000 1.916) 2.663 23.798 ( 25.515 0.000 -9.573) 27.252 24.102 ( 13.620 0.000 1.794) 13.737 24.393 ( 26.568 0.000 39.668) 47.744 24.924 ( -13.425 -0.000 -13.247) 18.861 25.889 ( 8.988 0.000 9.623) 13.168 26.353 ( -5.912 -0.000 1.877) 6.203 26.649 ( -21.120 -0.000 9.132) 23.010 26.978 ( -43.464 -0.000 -63.006) 76.543 ======================= Grid point 205 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 12.440 0.000 -14.433) 19.054 1.497 ( -12.440 -0.000 14.433) 19.054 1.651 ( -1.837 -0.000 -11.438) 11.585 1.651 ( 1.837 0.000 11.438) 11.585 2.483 ( -17.047 -0.000 1.810) 17.143 2.483 ( 17.047 0.000 -1.810) 17.143 2.848 ( -7.588 -0.000 -25.152) 26.272 2.848 ( 7.588 0.000 25.152) 26.272 3.791 ( -1.668 -0.000 -21.103) 21.168 3.791 ( 1.668 0.000 21.103) 21.168 3.841 ( -20.066 -0.000 -5.128) 20.711 3.841 ( 20.066 0.000 5.128) 20.711 4.274 ( -6.749 -0.000 -30.141) 30.887 4.274 ( 6.749 0.000 30.141) 30.887 5.046 ( -0.697 -0.000 -2.775) 2.861 5.046 ( 0.697 0.000 2.775) 2.861 5.608 ( -2.663 -0.000 -11.091) 11.406 5.608 ( 2.663 0.000 11.091) 11.406 6.046 ( -3.310 -0.000 -5.467) 6.391 6.046 ( 3.310 0.000 5.467) 6.391 6.447 ( -2.922 -0.000 -1.527) 3.297 6.447 ( 2.922 0.000 1.527) 3.297 6.576 ( -4.266 -0.000 -11.549) 12.312 6.576 ( 4.266 0.000 11.549) 12.312 7.040 ( -0.305 -0.000 -4.625) 4.635 7.040 ( 0.305 0.000 4.625) 4.635 7.418 ( -3.432 -0.000 -0.530) 3.473 7.418 ( 3.432 0.000 0.530) 3.473 8.051 ( -2.407 -0.000 -7.499) 7.876 8.051 ( 2.407 0.000 7.499) 7.876 8.341 ( 7.763 0.000 -2.602) 8.188 8.341 ( -7.763 -0.000 2.602) 8.188 8.485 ( -12.289 -0.000 -4.400) 13.053 8.485 ( 12.289 0.000 4.400) 13.053 8.683 ( 0.910 0.000 -9.944) 9.986 8.683 ( -0.910 -0.000 9.944) 9.986 9.159 ( -1.864 -0.000 -3.275) 3.768 9.159 ( 1.864 0.000 3.275) 3.768 9.433 ( 1.339 0.000 -13.811) 13.876 9.433 ( -1.339 -0.000 13.811) 13.876 9.775 ( -0.315 -0.000 -2.275) 2.297 9.775 ( 0.315 0.000 2.275) 2.297 10.556 ( -10.506 -0.000 -35.255) 36.787 10.556 ( 10.506 0.000 35.255) 36.787 11.824 ( -5.178 -0.000 -8.213) 9.709 11.824 ( 5.178 0.000 8.213) 9.709 12.397 ( -12.729 -0.000 -4.554) 13.520 12.397 ( 12.729 0.000 4.554) 13.520 12.756 ( -1.690 -0.000 -16.216) 16.304 12.756 ( 1.690 0.000 16.216) 16.304 13.058 ( -4.067 -0.000 -5.901) 7.167 13.058 ( 4.067 0.000 5.901) 7.167 13.354 ( -4.921 -0.000 0.147) 4.923 13.354 ( 4.921 0.000 -0.147) 4.923 14.406 ( -2.847 -0.000 -5.924) 6.573 14.406 ( 2.847 0.000 5.924) 6.573 14.609 ( 1.637 0.000 -6.460) 6.664 14.609 ( -1.637 -0.000 6.460) 6.664 15.739 ( 0.678 0.000 -3.300) 3.369 15.739 ( -0.678 -0.000 3.300) 3.369 16.960 ( -6.170 -0.000 -3.467) 7.078 16.960 ( 6.170 0.000 3.467) 7.078 17.965 ( -0.257 -0.000 -0.368) 0.449 17.965 ( 0.257 0.000 0.368) 0.449 19.248 ( -0.036 -0.000 -1.967) 1.967 19.248 ( 0.036 0.000 1.967) 1.967 21.548 ( 1.161 0.000 -3.031) 3.245 21.548 ( -1.161 -0.000 3.031) 3.245 22.644 ( 3.049 0.000 -2.383) 3.869 22.644 ( -3.049 -0.000 2.383) 3.869 24.220 ( -8.442 -0.000 -0.306) 8.448 24.220 ( 8.442 0.000 0.306) 8.448 24.712 ( -45.622 -0.000 5.165) 45.913 24.712 ( 45.622 0.000 -5.165) 45.913 26.095 ( -45.661 -0.000 1.084) 45.674 26.095 ( 45.661 0.000 -1.084) 45.674 26.229 ( -2.990 -0.000 -1.763) 3.471 26.229 ( 2.990 0.000 1.763) 3.471 ======================= Grid point 207 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -11.547 26.422 5.786) 29.410 1.466 ( 23.285 13.826 -8.814) 28.478 1.754 ( 11.757 -8.158 -15.715) 21.254 1.945 ( 18.520 -9.700 13.854) 25.080 2.517 ( -0.458 -2.676 -2.176) 3.479 2.590 ( 4.491 -14.449 2.172) 15.286 3.018 ( 8.412 -15.873 -5.643) 18.830 3.104 ( 11.448 -6.635 8.986) 15.995 3.629 ( -2.248 -0.372 -14.716) 14.892 3.663 ( -14.897 -0.994 -11.374) 18.769 3.865 ( 11.957 -0.295 3.641) 12.503 4.075 ( 10.151 -8.363 -3.494) 13.608 4.315 ( 0.883 -8.105 -8.952) 12.108 4.531 ( 21.983 -2.552 20.612) 30.243 5.009 ( -0.610 1.954 -2.309) 3.086 5.044 ( 1.880 1.059 2.729) 3.479 5.659 ( -0.990 -8.097 -7.257) 10.918 5.780 ( 5.931 -10.143 9.136) 14.883 6.023 ( -5.894 -2.323 3.179) 7.088 6.106 ( 0.626 -3.776 -4.463) 5.880 6.268 ( -10.158 8.613 -0.512) 13.328 6.373 ( -0.134 3.953 -7.817) 8.761 6.623 ( 1.395 -4.443 -1.678) 4.950 6.682 ( 5.053 -2.496 13.367) 14.507 6.971 ( -2.659 6.973 1.867) 7.693 7.070 ( 5.369 4.055 2.184) 7.074 7.428 ( -5.753 -4.519 2.993) 7.904 7.550 ( 7.174 -7.037 -9.953) 14.144 7.947 ( -6.492 5.839 -3.735) 9.496 8.047 ( 1.335 3.032 4.453) 5.550 8.197 ( -13.098 2.795 1.582) 13.486 8.295 ( -13.154 0.234 -1.624) 13.255 8.390 ( 2.045 4.236 -3.787) 6.039 8.558 ( 7.680 4.265 0.202) 8.787 8.619 ( -3.253 3.508 -2.111) 5.229 8.699 ( 1.824 1.637 4.220) 4.880 9.131 ( 0.730 2.907 -2.483) 3.892 9.160 ( 2.609 4.430 -0.788) 5.202 9.383 ( 2.388 2.983 -11.455) 12.075 9.401 ( -1.262 3.440 12.611) 13.133 9.760 ( -1.836 -1.485 2.149) 3.193 9.785 ( 1.806 -1.114 -1.452) 2.571 10.432 ( -9.650 -3.242 -24.504) 26.535 10.709 ( 4.721 1.889 27.057) 27.530 11.619 ( -8.845 11.316 -5.951) 15.546 11.753 ( 0.237 11.017 9.460) 14.523 12.269 ( -16.581 -0.401 -2.579) 16.785 12.582 ( 8.465 -4.885 5.112) 11.030 12.754 ( 1.440 -3.781 -20.443) 20.840 12.804 ( -3.464 0.191 18.544) 18.866 13.044 ( -1.244 -4.186 -6.093) 7.496 13.134 ( 4.857 -1.906 4.668) 7.001 13.269 ( -4.230 3.001 -1.172) 5.317 13.382 ( 5.834 1.751 1.075) 6.185 14.243 ( -9.417 12.321 -5.750) 16.539 14.305 ( -6.499 11.669 2.620) 13.611 14.500 ( -7.235 0.234 -5.356) 9.005 14.516 ( -6.132 0.002 3.778) 7.203 15.775 ( 6.003 0.739 -1.254) 6.177 15.800 ( 7.411 -0.970 1.341) 7.594 16.906 ( -5.658 -1.663 -3.578) 6.898 17.039 ( 5.178 -1.596 3.175) 6.280 17.826 ( 0.208 10.992 0.388) 11.000 17.833 ( 0.906 10.993 -0.061) 11.030 19.547 ( -4.488 -31.304 -10.075) 33.190 19.622 ( -1.860 -33.989 10.983) 35.768 21.552 ( -0.960 -1.048 2.036) 2.483 21.568 ( 1.323 -1.551 -2.094) 2.923 22.605 ( -3.313 1.325 1.024) 3.712 22.659 ( 2.218 1.091 -4.143) 4.824 23.855 ( -39.235 5.693 11.215) 41.201 24.197 ( -8.109 -1.295 0.827) 8.254 24.531 ( 1.797 4.619 10.263) 11.397 25.182 ( 50.115 20.792 6.064) 54.595 25.416 ( -31.225 4.744 -13.393) 34.306 26.120 ( 20.418 15.148 1.559) 25.471 26.251 ( -8.685 -6.619 -4.100) 11.664 26.626 ( 26.201 -2.929 -5.650) 26.963 ======================= Grid point 208 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 3.346 4.123 8.645) 10.145 1.593 ( 22.847 -3.741 -8.849) 24.785 2.025 ( 20.408 -2.912 1.596) 20.676 2.332 ( 10.426 -12.391 0.948) 16.221 2.596 ( 12.941 -9.109 -13.253) 20.642 2.925 ( 4.617 -11.457 -3.949) 12.968 3.205 ( 5.389 2.861 6.017) 8.569 3.362 ( 2.573 -12.942 17.363) 21.808 3.502 ( -7.576 -4.255 -5.785) 10.439 3.833 ( 8.671 -15.150 -12.987) 21.757 4.117 ( 20.874 -5.632 -12.229) 24.840 4.395 ( 14.391 -13.215 -7.781) 21.030 4.465 ( -0.162 -14.171 7.703) 16.130 4.762 ( 14.468 1.276 13.138) 19.585 4.988 ( 2.468 1.643 -4.806) 5.647 5.107 ( 9.365 -1.898 11.377) 14.857 5.759 ( -3.178 -4.345 -2.730) 6.035 5.836 ( -9.444 2.624 1.652) 9.940 5.929 ( -5.489 9.152 -5.901) 12.195 6.176 ( -6.292 -6.093 -6.123) 10.686 6.188 ( 5.810 -7.302 -2.950) 9.786 6.444 ( 6.988 -11.220 -4.447) 13.946 6.663 ( 2.465 2.385 -0.741) 3.509 6.743 ( -4.469 3.374 15.735) 16.702 6.815 ( 1.214 6.309 6.232) 8.951 7.031 ( 6.699 5.212 2.356) 8.809 7.391 ( -7.770 2.458 2.148) 8.427 7.572 ( -1.408 9.809 -1.595) 10.037 7.765 ( -7.086 3.783 0.405) 8.042 7.993 ( -8.147 3.643 -0.896) 8.969 8.059 ( -1.438 0.576 -0.812) 1.749 8.115 ( -11.309 6.766 -3.180) 13.556 8.306 ( -3.597 4.682 -1.730) 6.153 8.528 ( -2.601 2.960 3.708) 5.411 8.579 ( 6.961 1.746 -2.284) 7.531 8.634 ( -3.340 5.345 0.039) 6.303 9.041 ( -0.401 6.260 -3.807) 7.338 9.092 ( 0.333 3.016 1.179) 3.255 9.362 ( 4.409 2.009 -8.541) 9.820 9.414 ( 3.972 0.247 7.490) 8.482 9.781 ( -1.534 -1.988 -0.774) 2.628 9.885 ( 4.325 -6.951 -1.915) 8.408 10.325 ( -10.119 0.423 -11.346) 15.209 10.624 ( -6.848 11.240 13.555) 18.893 11.329 ( -7.628 10.523 -5.456) 14.096 11.572 ( -1.509 10.975 8.356) 13.876 12.010 ( -22.088 6.724 -1.920) 23.168 12.591 ( -7.938 4.080 -0.495) 8.939 12.764 ( -4.112 -0.385 10.912) 11.668 12.845 ( 13.131 2.031 -4.382) 13.991 13.124 ( -4.367 -7.665 -3.446) 9.470 13.211 ( 4.620 -0.977 -1.062) 4.840 13.243 ( -0.069 -3.607 -0.913) 3.721 13.457 ( 5.871 -2.264 3.939) 7.424 13.933 ( -9.611 8.147 -3.765) 13.150 14.074 ( -3.676 7.880 1.491) 8.823 14.447 ( -4.551 -1.255 -3.717) 6.009 14.491 ( -3.340 -0.965 -0.874) 3.585 15.813 ( 5.642 1.346 -2.109) 6.172 15.900 ( 6.791 -1.736 2.405) 7.411 16.876 ( -4.842 -1.615 -3.152) 5.999 17.124 ( 3.804 -2.172 2.707) 5.149 17.674 ( 0.453 7.267 -1.357) 7.407 17.717 ( 1.421 4.811 2.534) 5.620 19.968 ( -8.016 -27.197 -10.458) 30.221 20.147 ( -5.801 -28.802 11.685) 31.619 21.570 ( -0.731 -1.874 0.831) 2.177 21.620 ( 1.698 -3.122 -1.080) 3.714 22.529 ( -4.442 3.278 0.369) 5.533 22.623 ( -1.245 3.222 -4.028) 5.306 23.482 ( -21.700 3.220 12.435) 25.216 24.133 ( -13.411 -3.413 4.169) 14.452 24.355 ( 0.677 18.086 -6.582) 19.259 24.952 ( -0.014 2.780 -7.646) 8.136 25.609 ( 30.431 4.610 10.417) 32.493 26.097 ( 17.907 11.611 2.649) 21.506 26.235 ( -5.815 -1.975 -7.316) 9.551 26.819 ( 15.715 2.920 -3.348) 16.331 ======================= Grid point 209 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 11.585 0.219 5.003) 12.621 1.983 ( 15.370 -17.644 -5.861) 24.122 2.250 ( 18.328 -0.295 10.587) 21.168 2.592 ( 1.590 -15.699 -17.118) 23.281 2.905 ( 1.216 -9.938 -16.445) 19.254 3.051 ( 6.348 0.793 2.260) 6.785 3.191 ( 6.059 -4.440 2.427) 7.894 3.486 ( -1.714 -4.947 17.750) 18.506 3.781 ( 6.322 -16.138 5.356) 18.141 4.143 ( 10.969 -8.854 -10.259) 17.434 4.329 ( 15.257 -5.739 -5.271) 17.132 4.622 ( 1.872 -5.109 4.918) 7.334 4.736 ( 3.082 -8.200 -3.185) 9.322 4.833 ( 2.383 8.606 -1.575) 9.068 5.120 ( 12.482 -11.094 0.230) 16.702 5.355 ( 20.290 -6.233 16.169) 26.683 5.607 ( -9.938 6.426 5.900) 13.224 5.747 ( -4.788 -2.549 -2.027) 5.791 5.796 ( 2.421 6.764 -14.774) 16.428 6.163 ( -4.963 -1.848 -15.206) 16.102 6.333 ( 2.875 -6.303 -5.271) 8.705 6.567 ( 5.211 9.493 6.424) 12.591 6.671 ( -4.737 -1.588 11.805) 12.819 6.772 ( -3.305 -5.153 1.925) 6.418 6.796 ( 9.736 -5.910 3.970) 12.062 7.085 ( 4.618 -2.318 -2.275) 5.646 7.219 ( -8.306 7.682 3.513) 11.847 7.348 ( -6.287 6.159 9.122) 12.676 7.650 ( -1.965 4.814 -1.129) 5.321 7.769 ( -11.728 10.520 0.683) 15.770 7.831 ( -11.039 9.824 -2.374) 14.967 8.064 ( 4.005 6.001 -0.344) 7.223 8.208 ( -0.218 0.185 -6.118) 6.124 8.465 ( -1.699 2.563 -2.889) 4.220 8.499 ( -2.513 3.951 5.155) 6.964 8.614 ( 4.669 2.591 -1.542) 5.558 8.940 ( -1.850 4.090 -2.050) 4.935 9.071 ( -2.402 0.101 2.016) 3.138 9.315 ( -0.421 5.687 -14.665) 15.734 9.488 ( 5.542 -1.745 10.206) 11.744 9.772 ( -3.131 0.458 -1.336) 3.435 10.045 ( 4.565 -5.367 -1.504) 7.204 10.171 ( -11.169 4.358 1.916) 12.141 10.319 ( -10.914 11.556 1.510) 15.967 11.127 ( -3.640 5.014 -4.579) 7.705 11.401 ( -2.744 7.901 3.636) 9.120 11.645 ( -20.464 8.392 -1.844) 22.194 12.407 ( -6.858 7.187 0.869) 9.972 12.774 ( -1.409 -1.447 3.874) 4.369 12.893 ( 7.161 3.059 6.965) 10.448 13.195 ( 1.036 -2.824 -5.288) 6.083 13.278 ( 0.324 -3.403 1.404) 3.695 13.296 ( -2.707 -4.161 -3.678) 6.179 13.550 ( 3.568 -1.500 3.360) 5.125 13.785 ( -3.217 1.296 -4.118) 5.384 13.977 ( 0.501 3.329 2.731) 4.335 14.418 ( -3.662 -0.227 3.297) 4.933 14.470 ( -2.649 -1.253 -8.125) 8.637 15.844 ( 4.431 0.602 -1.911) 4.863 16.005 ( 5.106 -2.798 2.339) 6.274 16.843 ( -3.935 -0.499 -2.298) 4.584 17.193 ( 2.412 -1.579 1.862) 3.433 17.585 ( 0.109 3.635 -1.553) 3.954 17.692 ( 1.541 1.206 2.887) 3.488 20.238 ( -7.532 -17.012 -7.012) 19.882 20.492 ( -5.835 -17.920 7.893) 20.432 21.601 ( -0.413 -2.315 0.036) 2.352 21.699 ( 1.920 -4.020 -0.435) 4.476 22.414 ( -4.900 4.282 -0.398) 6.519 22.518 ( -4.118 4.635 -1.795) 6.454 23.327 ( -8.222 0.409 6.736) 10.637 24.001 ( -13.579 2.133 1.031) 13.784 24.158 ( 5.729 6.738 -7.402) 11.533 24.991 ( 4.187 -1.909 0.769) 4.665 25.805 ( 19.786 4.523 7.641) 21.687 26.104 ( 14.024 8.322 3.867) 16.760 26.189 ( -4.507 -1.349 -9.303) 10.425 26.879 ( 8.529 3.415 -1.248) 9.272 ======================= Grid point 210 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 7.030 2.797 2.581) 7.994 2.351 ( 14.109 -6.659 7.895) 17.486 2.437 ( 4.714 -4.207 -2.069) 6.649 2.738 ( -7.324 -8.808 -22.021) 24.822 2.894 ( 3.549 6.107 1.677) 7.259 3.173 ( 4.054 -11.577 -5.041) 13.262 3.508 ( 9.184 -13.897 2.941) 16.915 3.601 ( -0.922 -9.563 14.380) 17.294 4.032 ( 5.828 -5.845 2.232) 8.551 4.220 ( -1.721 -2.060 -8.031) 8.467 4.480 ( -4.956 17.931 -0.106) 18.604 4.710 ( 14.511 -1.441 -0.587) 14.594 4.741 ( 5.154 -0.800 2.984) 6.009 4.904 ( 0.925 -16.123 7.310) 17.726 5.262 ( -0.387 1.873 0.043) 1.913 5.445 ( -8.415 9.186 -6.056) 13.851 5.599 ( 11.432 -7.874 3.049) 14.212 5.669 ( 3.803 7.714 -5.301) 10.103 5.936 ( 6.517 -12.966 -4.223) 15.113 6.199 ( 3.615 -8.926 -6.088) 11.394 6.416 ( 2.535 10.069 3.836) 11.069 6.510 ( 4.907 -2.512 1.179) 5.637 6.639 ( -0.925 5.414 -1.846) 5.795 6.761 ( -4.356 -2.293 -0.452) 4.943 6.923 ( 1.205 7.403 6.158) 9.705 7.028 ( -7.988 -1.727 5.549) 9.878 7.078 ( -4.107 2.026 1.576) 4.843 7.370 ( -1.953 -5.353 4.425) 7.215 7.503 ( -8.270 6.196 5.455) 11.685 7.576 ( -9.165 5.719 1.850) 10.960 7.701 ( 9.772 -5.421 -4.911) 12.206 7.989 ( 6.425 1.675 -3.623) 7.564 8.220 ( 2.339 1.877 -8.512) 9.025 8.419 ( 1.630 -0.101 -2.666) 3.126 8.491 ( 1.678 0.462 3.129) 3.581 8.614 ( 2.999 1.338 2.195) 3.950 8.798 ( -8.075 8.780 5.180) 13.004 9.010 ( -4.778 3.382 -1.830) 6.133 9.112 ( -7.033 8.672 -10.933) 15.627 9.585 ( 0.209 -3.210 3.052) 4.434 9.700 ( -1.247 4.424 2.976) 5.476 9.924 ( -7.036 7.581 4.846) 11.422 10.146 ( 1.427 -0.627 -1.873) 2.437 10.172 ( -3.943 -1.715 -1.541) 4.568 11.066 ( 0.194 0.309 -2.168) 2.199 11.277 ( -4.129 2.996 -0.860) 5.173 11.356 ( -10.248 5.947 -0.505) 11.859 12.244 ( -4.393 4.903 0.996) 6.658 12.775 ( -0.169 0.460 0.189) 0.525 12.964 ( 4.621 -2.120 10.787) 11.925 13.177 ( -0.674 3.385 -6.687) 7.526 13.307 ( -0.201 -1.136 -1.389) 1.806 13.350 ( -2.021 -4.271 0.260) 4.732 13.592 ( 0.215 -1.077 1.923) 2.214 13.779 ( 1.709 -1.119 -5.044) 5.442 13.946 ( 0.065 2.072 3.702) 4.243 14.397 ( -1.835 0.118 4.900) 5.233 14.450 ( -1.783 -0.967 -7.789) 8.049 15.873 ( 2.535 0.030 -1.071) 2.752 16.096 ( 2.918 -2.363 1.338) 3.986 16.809 ( -2.291 0.212 -1.127) 2.562 17.231 ( 1.081 -0.595 0.907) 1.531 17.543 ( 0.036 1.325 -1.024) 1.675 17.703 ( 1.022 -0.033 1.830) 2.096 20.370 ( -4.336 -7.833 -3.380) 9.570 20.670 ( -3.446 -8.262 3.827) 9.735 21.634 ( -0.095 -1.779 -0.251) 1.799 21.780 ( 1.497 -3.217 -0.022) 3.548 22.304 ( -3.194 3.114 -0.975) 4.566 22.405 ( -3.323 3.374 -0.003) 4.735 23.286 ( -2.490 -0.296 2.580) 3.598 23.876 ( -4.224 1.718 -1.126) 4.697 24.125 ( 1.492 1.552 -2.106) 3.012 25.057 ( 2.476 -1.198 1.495) 3.130 25.904 ( 9.867 2.942 3.988) 11.041 26.109 ( 6.444 4.368 1.224) 7.880 26.169 ( -1.363 -1.443 -4.981) 5.362 26.893 ( 3.724 2.038 -0.327) 4.258 ======================= Grid point 211 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.000 0.000 0.000) 0.000 2.463 ( -0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.727 ( -0.000 0.000 0.000) 0.000 2.873 ( -0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.696 ( -0.000 0.000 -0.000) 0.000 3.882 ( -0.000 -0.000 0.000) 0.000 4.058 ( -0.000 0.000 0.000) 0.000 4.119 ( -0.000 0.000 0.000) 0.000 4.280 ( -0.000 0.000 0.000) 0.000 4.704 ( -0.000 0.000 -0.000) 0.000 4.823 ( -0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.186 ( -0.000 -0.000 0.000) 0.000 5.329 ( -0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.957 ( -0.000 0.000 0.000) 0.000 6.077 ( -0.000 0.000 -0.000) 0.000 6.142 ( -0.000 0.000 -0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 -0.000) 0.000 6.655 ( -0.000 0.000 0.000) 0.000 6.659 ( 0.000 -0.000 -0.000) 0.000 6.811 ( 0.000 0.000 -0.000) 0.000 7.002 ( -0.000 0.000 0.000) 0.000 7.145 ( -0.000 0.000 0.000) 0.000 7.316 ( -0.000 0.000 -0.000) 0.000 7.379 ( -0.000 0.000 0.000) 0.000 7.557 ( -0.000 0.000 0.000) 0.000 7.800 ( -0.000 0.000 0.000) 0.000 8.166 ( -0.000 0.000 0.000) 0.000 8.183 ( -0.000 0.000 -0.000) 0.000 8.430 ( -0.000 0.000 0.000) 0.000 8.484 ( -0.000 0.000 0.000) 0.000 8.567 ( 0.000 -0.000 -0.000) 0.000 8.672 ( -0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.605 ( -0.000 0.000 -0.000) 0.000 9.658 ( -0.000 0.000 0.000) 0.000 9.842 ( -0.000 0.000 0.000) 0.000 10.140 ( -0.000 0.000 0.000) 0.000 10.186 ( -0.000 0.000 0.000) 0.000 11.072 ( -0.000 0.000 0.000) 0.000 11.218 ( 0.000 -0.000 -0.000) 0.000 11.259 ( -0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 12.769 ( -0.000 0.000 0.000) 0.000 13.073 ( -0.000 0.000 -0.000) 0.000 13.081 ( 0.000 -0.000 0.000) 0.000 13.314 ( -0.000 0.000 -0.000) 0.000 13.376 ( -0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 -0.000) 0.000 13.799 ( -0.000 -0.000 -0.000) 0.000 13.928 ( -0.000 0.000 0.000) 0.000 14.393 ( -0.000 0.000 0.000) 0.000 14.440 ( -0.000 0.000 -0.000) 0.000 15.886 ( -0.000 0.000 0.000) 0.000 16.134 ( -0.000 0.000 0.000) 0.000 16.793 ( -0.000 0.000 0.000) 0.000 17.242 ( -0.000 0.000 0.000) 0.000 17.532 ( -0.000 0.000 0.000) 0.000 17.712 ( -0.000 0.000 0.000) 0.000 20.408 ( -0.000 0.000 0.000) 0.000 20.723 ( -0.000 0.000 0.000) 0.000 21.649 ( -0.000 0.000 0.000) 0.000 21.818 ( -0.000 0.000 0.000) 0.000 22.258 ( -0.000 0.000 0.000) 0.000 22.357 ( -0.000 0.000 0.000) 0.000 23.280 ( -0.000 0.000 0.000) 0.000 23.842 ( -0.000 0.000 0.000) 0.000 24.119 ( -0.000 0.000 0.000) 0.000 25.082 ( -0.000 0.000 0.000) 0.000 25.932 ( -0.000 0.000 -0.000) 0.000 26.105 ( -0.000 0.000 0.000) 0.000 26.173 ( -0.000 0.000 -0.000) 0.000 26.894 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 7.818 0.000 7.772) 11.024 1.606 ( 8.809 0.000 -24.116) 25.674 1.974 ( 28.971 0.000 -5.569) 29.501 2.044 ( 3.468 0.000 10.319) 10.886 2.355 ( 23.971 0.000 12.678) 27.117 2.645 ( 9.787 0.000 1.823) 9.955 3.099 ( 26.416 0.000 -17.978) 31.953 3.241 ( 17.469 0.000 14.422) 22.653 3.467 ( -5.977 -0.000 -10.520) 12.100 3.741 ( 9.648 0.000 -30.449) 31.941 3.867 ( -1.459 -0.000 9.500) 9.611 4.077 ( 7.754 0.000 13.118) 15.238 4.251 ( 8.122 0.000 -20.421) 21.977 4.880 ( 32.986 0.000 16.899) 37.063 5.021 ( -0.205 -0.000 -4.413) 4.418 5.063 ( 0.292 0.000 1.161) 1.197 5.599 ( 4.791 0.000 -5.456) 7.261 5.747 ( 2.721 0.000 14.471) 14.725 5.930 ( -6.363 -0.000 1.729) 6.594 6.069 ( 0.003 0.000 2.620) 2.620 6.246 ( -10.995 -0.000 -14.767) 18.410 6.409 ( -3.769 -0.000 -2.043) 4.287 6.513 ( -0.732 -0.000 -1.178) 1.387 6.757 ( 6.275 0.000 19.746) 20.719 7.087 ( 3.446 0.000 -1.066) 3.607 7.145 ( 6.688 0.000 5.131) 8.430 7.385 ( 1.675 0.000 -9.614) 9.759 7.450 ( -2.842 -0.000 -5.833) 6.489 7.937 ( -5.722 -0.000 -4.980) 7.585 8.023 ( -10.867 -0.000 1.488) 10.969 8.137 ( -6.189 -0.000 10.119) 11.861 8.145 ( -12.441 -0.000 -3.532) 12.933 8.426 ( -1.654 -0.000 -5.277) 5.530 8.635 ( 3.398 0.000 -4.905) 5.968 8.642 ( -1.677 -0.000 -8.073) 8.245 8.710 ( -3.526 -0.000 12.966) 13.437 9.158 ( 0.359 0.000 -2.565) 2.590 9.222 ( 0.969 0.000 -2.439) 2.624 9.407 ( 1.808 0.000 -11.518) 11.659 9.432 ( -2.021 -0.000 11.836) 12.007 9.716 ( -5.330 -0.000 -2.164) 5.753 9.771 ( -2.867 -0.000 7.989) 8.488 10.298 ( 0.260 0.000 -27.361) 27.362 10.829 ( 1.556 0.000 32.428) 32.465 11.594 ( -14.265 -0.000 -3.295) 14.640 11.790 ( -13.754 -0.000 11.072) 17.657 12.169 ( -5.505 -0.000 -1.990) 5.854 12.571 ( -0.453 -0.000 3.329) 3.360 12.691 ( 2.118 0.000 -21.123) 21.229 12.780 ( -7.963 -0.000 16.065) 17.930 12.998 ( 1.794 0.000 -7.778) 7.982 13.168 ( 3.976 0.000 7.906) 8.850 13.270 ( -2.057 -0.000 -1.057) 2.313 13.456 ( 4.944 0.000 -1.178) 5.083 14.235 ( -23.680 -0.000 -5.025) 24.207 14.272 ( -12.096 -0.000 -2.362) 12.324 14.343 ( -12.172 -0.000 -4.766) 13.072 14.446 ( -2.644 -0.000 2.938) 3.952 15.884 ( 9.638 0.000 0.987) 9.688 15.896 ( 10.510 0.000 -1.290) 10.589 16.842 ( -2.992 -0.000 -1.785) 3.484 17.079 ( 4.048 0.000 2.767) 4.904 17.959 ( 0.025 0.000 -0.744) 0.745 17.968 ( -0.203 -0.000 0.712) 0.740 19.234 ( -1.285 -0.000 0.181) 1.298 19.238 ( 0.270 0.000 -0.165) 0.317 21.541 ( -0.570 -0.000 2.947) 3.001 21.561 ( 1.169 0.000 -3.086) 3.300 22.589 ( -2.319 -0.000 -2.451) 3.374 22.673 ( -0.464 -0.000 -2.080) 2.131 23.546 ( -30.248 -0.000 15.574) 34.022 24.073 ( -12.573 -0.000 1.904) 12.717 24.658 ( 8.536 0.000 12.916) 15.482 25.052 ( -35.400 -0.000 -23.863) 42.693 25.995 ( 48.245 0.000 33.125) 58.522 26.065 ( -3.766 -0.000 -7.832) 8.691 26.401 ( 9.393 0.000 -1.301) 9.482 26.903 ( 27.880 0.000 -16.929) 32.618 ======================= Grid point 219 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 9.391 23.888 10.653) 27.791 1.841 ( 21.139 1.466 -13.863) 25.322 2.222 ( 10.797 -13.046 0.512) 16.942 2.292 ( 27.414 -0.060 -1.937) 27.482 2.752 ( 9.053 1.211 -0.018) 9.134 2.805 ( 22.739 -12.771 3.039) 26.256 3.227 ( 10.186 2.900 1.101) 10.648 3.423 ( 2.522 4.139 -6.064) 7.763 3.467 ( 13.634 2.091 16.114) 21.211 3.719 ( 12.925 -6.082 -9.385) 17.092 4.184 ( 6.913 -18.603 -8.253) 21.493 4.256 ( 26.224 -6.138 -8.676) 28.296 4.363 ( 7.327 -4.980 -1.652) 9.012 4.980 ( 3.529 3.473 2.054) 5.360 5.049 ( 5.388 2.130 -4.530) 7.355 5.250 ( 24.690 -1.538 13.814) 28.334 5.678 ( 2.027 -2.803 -2.329) 4.170 5.757 ( -10.300 0.546 5.261) 11.579 5.920 ( -10.715 -4.414 11.317) 16.197 6.058 ( -0.971 3.923 -19.207) 19.627 6.145 ( 6.099 -3.296 -2.642) 7.419 6.355 ( 1.300 -2.580 -2.881) 4.080 6.611 ( -0.992 -6.943 0.276) 7.019 6.832 ( 1.497 2.611 20.345) 20.566 7.014 ( 2.769 9.612 0.520) 10.016 7.168 ( 3.946 5.087 -0.003) 6.438 7.293 ( -9.487 -1.050 1.047) 9.603 7.562 ( -3.372 -7.423 -9.070) 12.196 7.742 ( -14.635 8.247 3.877) 17.241 7.946 ( -8.281 -1.409 -1.009) 8.461 8.050 ( -5.097 -0.103 -4.653) 6.902 8.095 ( 1.799 2.546 6.600) 7.299 8.336 ( -5.055 5.148 -6.000) 9.383 8.562 ( -2.270 2.972 1.806) 4.153 8.644 ( -7.642 2.941 4.045) 9.133 8.669 ( 4.226 0.428 -6.534) 7.793 9.086 ( -6.069 4.614 -2.941) 8.172 9.165 ( -1.747 4.532 -0.479) 4.880 9.383 ( -0.909 0.471 -8.715) 8.775 9.453 ( 2.162 -0.863 7.432) 7.788 9.724 ( -0.414 -4.637 -2.427) 5.250 9.784 ( -4.309 -5.182 4.676) 8.203 10.267 ( 2.335 1.998 -17.669) 17.934 10.770 ( -7.087 10.984 20.872) 24.628 11.364 ( -14.140 6.835 -2.098) 15.845 11.623 ( -15.777 2.510 7.735) 17.750 12.000 ( -8.434 12.172 0.668) 14.824 12.543 ( -8.202 -0.154 -0.043) 8.203 12.651 ( -8.811 -2.999 -0.841) 9.346 12.848 ( -1.775 -12.250 -0.382) 12.384 13.005 ( -0.561 -0.177 -6.288) 6.316 13.241 ( 2.607 2.486 0.578) 3.648 13.251 ( 4.368 -2.159 3.985) 6.294 13.494 ( 4.143 0.096 0.013) 4.144 13.929 ( -13.474 6.923 -3.231) 15.489 14.102 ( -8.714 2.736 0.791) 9.167 14.319 ( -5.864 -5.082 -7.830) 11.024 14.424 ( -5.157 -1.315 0.433) 5.339 15.942 ( 8.779 3.844 -1.418) 9.688 15.982 ( 8.320 1.093 0.673) 8.418 16.826 ( -0.890 -0.137 0.031) 0.901 17.132 ( 2.918 -1.399 2.125) 3.871 17.843 ( 1.009 10.201 0.721) 10.276 17.856 ( 1.022 9.889 0.041) 9.942 19.428 ( -3.343 -24.161 -4.457) 24.795 19.585 ( -3.287 -30.465 4.611) 30.987 21.546 ( -0.200 -0.649 1.582) 1.721 21.587 ( 1.206 -2.171 -1.871) 3.109 22.537 ( -3.167 2.409 -3.521) 5.314 22.631 ( -4.868 1.708 0.731) 5.211 23.339 ( -14.103 0.237 10.226) 17.422 23.944 ( -15.963 -1.473 3.426) 16.393 24.577 ( -4.562 12.175 -11.405) 17.295 24.870 ( -1.153 -5.544 0.651) 5.700 26.009 ( 4.876 2.617 -5.261) 7.635 26.337 ( 22.550 9.770 18.313) 30.648 26.440 ( 13.632 8.644 4.292) 16.702 27.046 ( 15.212 5.162 -12.509) 20.359 ======================= Grid point 220 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 24.421 0.521 15.691) 29.032 2.002 ( 21.891 -0.103 -10.109) 24.112 2.480 ( 14.659 1.584 -15.187) 21.167 2.559 ( 18.098 -3.691 3.136) 18.735 2.749 ( 5.046 -2.441 1.050) 5.703 3.146 ( -4.850 3.472 -4.454) 7.444 3.297 ( 25.958 -1.523 6.188) 26.728 3.435 ( -1.743 -10.055 2.567) 10.522 3.592 ( 8.905 -2.225 13.820) 16.591 4.078 ( 16.041 -13.710 -5.882) 21.907 4.339 ( 3.502 -3.347 -5.659) 7.449 4.596 ( 7.020 -6.730 12.579) 15.900 4.701 ( 22.013 -7.875 -10.968) 25.824 5.010 ( 4.203 7.587 -4.235) 9.652 5.097 ( 13.555 -7.710 -3.736) 16.036 5.505 ( 4.880 0.564 15.064) 15.845 5.636 ( 6.539 1.047 1.225) 6.734 5.658 ( -4.478 -0.036 0.667) 4.527 5.886 ( 3.242 2.579 -7.256) 8.355 6.050 ( -0.429 -2.669 -15.772) 16.002 6.237 ( 1.226 -7.166 -0.969) 7.334 6.500 ( -3.983 -9.606 -3.571) 10.995 6.694 ( 1.892 -3.538 10.595) 11.329 6.766 ( 1.050 9.001 6.567) 11.191 6.907 ( 3.815 3.440 4.675) 6.946 7.113 ( -2.879 4.653 -4.123) 6.851 7.218 ( -6.036 1.628 4.385) 7.636 7.375 ( -14.006 7.933 9.310) 18.595 7.609 ( -9.294 -1.322 -2.600) 9.741 7.828 ( -6.733 6.859 0.782) 9.643 7.940 ( -3.056 9.476 -4.346) 10.863 8.152 ( 5.361 -0.343 1.444) 5.562 8.192 ( -2.951 1.344 -6.874) 7.600 8.504 ( -5.664 1.358 7.427) 9.439 8.518 ( -1.612 4.692 -0.749) 5.017 8.673 ( 1.983 1.988 -2.586) 3.818 8.946 ( -5.928 1.745 -6.992) 9.332 9.080 ( -2.209 3.190 2.595) 4.668 9.331 ( -4.364 1.662 -10.986) 11.937 9.499 ( -0.093 -1.097 6.088) 6.187 9.749 ( -3.380 -0.629 5.513) 6.497 9.907 ( -2.184 -11.067 -3.690) 11.869 10.206 ( 3.239 5.158 -8.715) 10.632 10.439 ( -13.575 16.498 10.182) 23.668 11.136 ( -9.253 4.404 -2.343) 10.512 11.427 ( -12.982 3.751 0.551) 13.524 11.663 ( -10.802 13.880 2.248) 17.731 12.423 ( -7.824 4.032 -3.223) 9.373 12.665 ( -7.850 -7.673 9.524) 14.533 12.960 ( -4.405 0.514 -1.267) 4.612 13.047 ( -2.923 -13.004 -1.385) 13.400 13.235 ( 1.925 1.996 1.196) 3.020 13.311 ( 4.204 0.516 -2.774) 5.063 13.537 ( -0.115 -1.474 1.071) 1.826 13.780 ( -0.828 1.550 -1.880) 2.573 14.022 ( -1.134 1.822 1.782) 2.789 14.333 ( -4.107 -4.304 -8.059) 10.017 14.390 ( -5.974 -1.651 0.544) 6.222 15.953 ( 7.918 4.273 -2.097) 9.238 16.046 ( 6.356 0.323 2.024) 6.679 16.817 ( -0.205 0.588 0.345) 0.712 17.186 ( 1.534 -1.749 1.083) 2.566 17.690 ( 1.301 8.389 -0.807) 8.528 17.754 ( 1.115 4.337 2.231) 5.003 19.800 ( -5.025 -24.559 -4.054) 25.393 20.045 ( -6.047 -27.842 4.368) 28.824 21.566 ( 0.155 -1.583 0.411) 1.643 21.648 ( 1.287 -3.737 -0.811) 4.035 22.434 ( -4.529 4.016 -2.134) 6.419 22.528 ( -6.752 3.148 1.051) 7.524 23.270 ( -3.841 -0.577 3.240) 5.058 23.820 ( -15.297 -2.492 5.480) 16.439 24.372 ( 5.777 9.742 -14.421) 18.337 24.973 ( 2.071 -3.527 7.804) 8.811 26.025 ( 4.387 0.292 -7.439) 8.642 26.343 ( 15.304 14.078 9.158) 22.722 26.404 ( 11.347 11.064 4.037) 16.354 27.040 ( 7.112 6.273 -5.562) 10.994 ======================= Grid point 221 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 28.200 12.715 14.561) 34.190 2.296 ( 14.905 -11.401 -4.615) 19.325 2.516 ( 3.383 1.119 -20.541) 20.848 2.655 ( 12.017 6.387 3.145) 13.968 2.991 ( 8.028 -14.817 -1.351) 16.906 3.064 ( 2.731 4.346 7.094) 8.756 3.486 ( -1.662 -0.686 12.614) 12.742 3.524 ( 14.915 -3.924 -1.373) 15.484 3.911 ( 6.725 -15.228 1.159) 16.688 4.213 ( 1.492 2.409 -10.893) 11.256 4.627 ( 7.311 -18.117 5.911) 20.412 4.681 ( 2.735 6.158 11.762) 13.555 4.831 ( 2.618 6.042 -3.380) 7.402 4.899 ( 10.891 5.051 -2.946) 12.362 5.273 ( -0.408 -1.524 1.088) 1.917 5.481 ( -5.145 6.019 3.233) 8.553 5.562 ( -0.329 -1.691 0.601) 1.825 5.864 ( 11.764 -5.103 -8.031) 15.131 5.898 ( 9.506 7.969 -14.337) 18.958 6.096 ( 4.438 -7.257 -2.830) 8.964 6.375 ( 2.545 -7.320 -1.511) 7.896 6.542 ( -10.638 -4.521 0.203) 11.560 6.688 ( 6.062 3.665 1.570) 7.256 6.784 ( 3.791 5.987 6.022) 9.299 6.905 ( -2.192 -5.888 8.141) 10.284 7.051 ( -3.407 2.977 -1.134) 4.664 7.069 ( -3.783 4.600 4.994) 7.772 7.291 ( -0.445 -2.422 5.643) 6.157 7.497 ( -12.764 1.817 -1.529) 12.983 7.584 ( -7.549 8.610 5.114) 12.541 7.768 ( 2.878 4.366 -8.864) 10.292 8.076 ( -1.422 4.945 0.832) 5.212 8.268 ( 6.801 -0.150 -6.511) 9.416 8.441 ( -0.364 1.013 -0.011) 1.077 8.498 ( 1.021 -0.566 3.734) 3.912 8.646 ( -0.871 0.857 1.515) 1.946 8.855 ( -5.270 4.314 0.063) 6.811 9.003 ( -4.488 2.704 0.887) 5.314 9.156 ( -8.700 8.212 -13.760) 18.233 9.508 ( -4.402 -2.004 2.609) 5.495 9.713 ( -6.279 -0.069 4.849) 7.933 9.997 ( -5.650 3.436 0.646) 6.644 10.088 ( -2.903 1.844 5.760) 6.708 10.190 ( 1.634 2.656 -3.657) 4.806 11.036 ( -4.098 -0.873 -1.451) 4.434 11.263 ( -5.993 2.995 -2.359) 7.103 11.387 ( -7.190 7.816 0.940) 10.661 12.264 ( -6.133 4.418 -4.897) 9.006 12.737 ( -3.978 -4.739 6.942) 9.299 12.934 ( -4.923 -3.683 8.032) 10.115 13.158 ( -9.859 -4.484 -1.752) 10.972 13.240 ( 3.901 -2.679 0.332) 4.744 13.323 ( 2.671 0.985 -4.651) 5.453 13.535 ( -3.241 -1.188 -1.296) 3.687 13.807 ( 5.717 -0.342 -3.146) 6.534 13.996 ( 0.425 2.297 3.418) 4.140 14.345 ( -3.149 -3.625 -10.093) 11.177 14.373 ( -4.569 -2.502 5.705) 7.725 15.957 ( 6.619 3.950 -1.532) 7.859 16.107 ( 4.138 -0.528 1.846) 4.562 16.806 ( 0.551 0.885 0.725) 1.270 17.219 ( -0.239 -1.217 0.003) 1.240 17.595 ( 1.259 4.459 -1.169) 4.779 17.724 ( 0.459 1.323 2.250) 2.650 20.104 ( -3.537 -17.856 -1.940) 18.306 20.388 ( -5.595 -19.801 2.137) 20.687 21.602 ( 0.605 -2.108 -0.152) 2.199 21.728 ( 0.933 -4.280 -0.157) 4.383 22.323 ( -3.572 3.349 -1.400) 5.093 22.413 ( -5.440 2.729 0.778) 6.136 23.268 ( 0.264 -0.631 -0.635) 0.933 23.746 ( -11.671 -3.696 7.927) 14.585 24.290 ( 10.276 7.772 -12.620) 18.035 25.042 ( -0.470 -1.918 7.747) 7.995 26.045 ( 2.873 0.389 -8.298) 8.790 26.230 ( 8.194 14.588 6.267) 17.867 26.360 ( 9.881 8.167 2.228) 13.011 26.983 ( 2.218 5.108 -1.898) 5.883 ======================= Grid point 222 (97/117) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 27.992 21.679 9.509) 36.661 2.452 ( -0.626 0.176 -8.838) 8.862 2.482 ( -0.573 1.521 -5.159) 5.409 2.726 ( 5.790 -2.932 2.031) 6.800 3.039 ( 7.436 7.766 13.881) 17.558 3.283 ( 7.371 -4.953 -3.248) 9.456 3.651 ( 2.268 -19.168 10.272) 21.865 3.713 ( 9.584 -3.294 -4.647) 11.149 4.104 ( 3.075 1.137 -4.008) 5.178 4.106 ( -5.962 4.423 -7.169) 10.320 4.512 ( 7.221 12.970 5.257) 15.748 4.722 ( -1.707 3.615 3.746) 5.478 4.881 ( -0.481 4.078 3.162) 5.183 5.059 ( 1.323 -8.403 2.698) 8.924 5.237 ( 5.047 -1.867 5.100) 7.414 5.270 ( -6.483 1.346 -6.584) 9.338 5.613 ( -4.941 16.350 -16.056) 23.442 5.845 ( 12.277 -15.378 4.400) 20.164 6.011 ( 1.744 -6.304 -6.132) 8.966 6.211 ( -10.036 6.094 4.947) 12.741 6.442 ( 3.244 8.772 3.666) 10.045 6.532 ( -2.826 -2.856 4.569) 6.084 6.547 ( -12.467 -4.841 -6.598) 14.913 6.765 ( 6.164 8.657 -0.409) 10.635 6.794 ( -3.395 5.042 -2.022) 6.406 7.024 ( 2.294 -1.796 1.575) 3.312 7.190 ( 5.572 1.023 1.541) 5.871 7.295 ( -0.788 -2.678 -1.147) 3.018 7.339 ( -2.973 -0.874 2.435) 3.941 7.562 ( 1.376 -5.532 10.305) 11.777 7.805 ( 1.876 1.027 -6.792) 7.121 8.062 ( -2.957 -5.455 -1.495) 6.383 8.274 ( 5.260 4.870 -7.365) 10.278 8.440 ( -0.357 0.610 0.212) 0.738 8.527 ( 3.459 0.113 -5.472) 6.474 8.597 ( -6.538 6.674 12.145) 15.323 8.680 ( -3.813 4.103 1.338) 5.759 8.896 ( -3.077 3.857 -1.753) 5.236 8.974 ( -1.656 -1.064 -3.726) 4.214 9.512 ( -4.568 -4.805 -3.110) 7.323 9.643 ( -6.192 0.583 0.786) 6.269 9.882 ( 0.853 2.805 5.548) 6.275 10.137 ( -1.172 -3.340 2.945) 4.605 10.185 ( 2.588 0.898 -1.888) 3.327 11.042 ( -2.441 -2.211 0.136) 3.296 11.215 ( 0.468 -0.610 -1.965) 2.110 11.269 ( 0.928 1.359 0.939) 1.895 12.165 ( -2.221 0.463 -6.075) 6.485 12.753 ( -2.260 -0.961 1.486) 2.871 12.997 ( -6.901 -6.115 9.336) 13.121 13.073 ( -5.517 1.404 0.029) 5.693 13.324 ( 0.971 -0.093 0.101) 0.980 13.337 ( 0.856 -4.229 -3.592) 5.615 13.524 ( -4.690 -2.858 -1.538) 5.704 13.855 ( 6.355 1.547 -6.576) 9.275 13.958 ( -0.062 3.005 4.129) 5.107 14.356 ( -1.956 -2.923 -7.237) 8.046 14.399 ( -2.491 -3.249 7.525) 8.567 15.947 ( 4.609 4.048 -0.593) 6.162 16.142 ( 1.231 0.417 0.772) 1.512 16.809 ( 2.071 0.488 1.429) 2.563 17.223 ( -1.873 -0.807 -0.868) 2.217 17.555 ( 1.371 1.968 -0.697) 2.498 17.713 ( -0.593 0.513 0.927) 1.214 20.319 ( -0.218 -10.481 0.835) 10.516 20.605 ( -3.275 -11.695 -0.853) 12.174 21.642 ( 0.938 -1.412 -0.200) 1.707 21.793 ( -0.312 -2.655 0.193) 2.681 22.262 ( -0.691 0.736 -0.664) 1.208 22.347 ( -2.309 0.109 0.440) 2.354 23.286 ( 2.145 -0.324 -2.888) 3.612 23.726 ( -9.651 -4.849 10.035) 14.742 24.260 ( 11.755 6.835 -11.406) 17.748 25.055 ( -3.843 -0.744 6.079) 7.230 26.030 ( 0.549 2.653 -4.874) 5.577 26.072 ( 0.589 9.776 -0.515) 9.807 26.334 ( 8.516 7.045 4.382) 11.889 26.915 ( -1.299 3.288 -0.676) 3.599 ======================= Grid point 223 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 26.463 23.673 6.148) 36.035 2.359 ( -1.613 8.020 -6.940) 10.728 2.457 ( -1.687 -0.693 -1.297) 2.238 2.755 ( -7.158 -0.306 3.333) 7.902 3.026 ( 8.648 6.274 14.314) 17.862 3.336 ( 3.318 4.990 4.824) 7.693 3.663 ( -3.648 9.976 4.678) 11.607 3.783 ( -0.726 14.198 -17.508) 22.552 4.021 ( -5.829 2.876 0.072) 6.500 4.214 ( 9.748 -19.673 -1.093) 21.983 4.420 ( 9.081 12.919 7.102) 17.314 4.648 ( -12.423 8.561 -1.249) 15.138 4.695 ( -2.012 -1.249 -0.613) 2.446 5.080 ( -5.735 7.501 -6.314) 11.359 5.246 ( 4.863 -3.346 -1.597) 6.115 5.360 ( 0.823 -3.016 1.884) 3.651 5.545 ( 5.584 -9.906 6.155) 12.930 5.699 ( -17.601 20.516 3.390) 27.243 6.097 ( -3.416 0.964 -4.591) 5.803 6.175 ( -3.427 -0.444 -2.222) 4.108 6.304 ( -0.112 0.009 -2.700) 2.702 6.481 ( -3.621 4.863 11.348) 12.866 6.573 ( -1.578 -9.203 -3.753) 10.063 6.730 ( -1.874 -8.600 -3.014) 9.304 6.771 ( -4.848 1.098 -1.236) 5.123 7.086 ( 5.375 -2.022 4.804) 7.487 7.115 ( 2.543 1.827 -8.382) 8.948 7.428 ( 6.674 -3.490 -2.127) 7.825 7.498 ( 6.172 -3.022 -3.030) 7.511 7.601 ( 6.772 -0.240 -5.724) 8.871 7.762 ( -1.431 6.576 1.230) 6.841 7.944 ( -11.337 5.881 9.100) 15.683 8.203 ( -0.797 1.142 5.249) 5.430 8.409 ( -6.706 -2.487 -0.498) 7.169 8.433 ( -2.309 3.738 -0.661) 4.443 8.572 ( -3.024 0.386 0.320) 3.065 8.732 ( 7.381 -7.143 -5.294) 11.555 8.965 ( 2.640 -6.818 7.660) 10.589 9.075 ( 7.431 -6.408 -1.657) 9.951 9.499 ( -12.185 -2.526 -2.951) 12.789 9.668 ( 7.466 -5.773 -5.470) 10.908 9.912 ( 5.428 -1.254 4.094) 6.913 10.164 ( -0.520 -0.093 2.511) 2.566 10.203 ( 1.766 -0.891 0.074) 1.980 11.040 ( -2.181 -1.244 1.726) 3.047 11.226 ( -2.705 -3.355 -1.940) 4.726 11.413 ( 16.507 -4.945 3.192) 17.525 12.186 ( 1.383 -4.721 -6.524) 8.171 12.746 ( -2.747 -1.127 1.185) 3.197 12.910 ( -9.662 1.793 -6.021) 11.524 13.115 ( -1.527 -4.756 10.674) 11.786 13.336 ( 2.151 0.041 -1.324) 2.526 13.391 ( 0.603 -1.419 -0.573) 1.644 13.522 ( -6.213 -3.424 -1.186) 7.193 13.845 ( 3.650 4.327 -2.611) 6.234 13.931 ( 0.369 0.893 -0.683) 1.183 14.379 ( 0.544 -2.310 -5.770) 6.239 14.448 ( -1.569 -2.905 8.671) 9.278 15.913 ( 2.424 4.284 0.444) 4.942 16.112 ( -2.025 2.799 -0.510) 3.493 16.843 ( 4.240 -0.271 2.294) 4.828 17.207 ( -3.030 -0.619 -1.695) 3.526 17.548 ( 1.413 0.692 0.403) 1.624 17.693 ( -1.609 0.590 -0.850) 1.913 20.455 ( 3.513 -3.276 4.094) 6.312 20.711 ( -0.503 -3.956 -4.426) 5.958 21.660 ( 1.050 0.522 0.050) 1.173 21.797 ( -1.958 0.839 0.140) 2.135 22.289 ( 2.609 -2.688 0.649) 3.801 22.371 ( 1.109 -3.496 -0.063) 3.668 23.315 ( 4.406 -0.341 -5.120) 6.763 23.746 ( -9.239 -6.880 11.814) 16.500 24.258 ( 12.945 6.213 -10.233) 17.632 25.012 ( -7.623 -0.041 4.181) 8.695 25.886 ( -4.165 8.980 2.349) 10.174 25.980 ( -5.124 0.613 -8.991) 10.367 26.319 ( 7.858 5.903 6.243) 11.643 26.844 ( -4.633 1.434 -0.688) 4.899 ======================= Grid point 224 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 24.176 23.774 5.497) 34.350 2.192 ( 0.425 9.689 -5.790) 11.295 2.228 ( -13.115 20.157 -1.342) 24.085 2.716 ( -6.242 0.236 6.011) 8.669 3.025 ( -4.554 1.985 6.582) 8.246 3.186 ( 4.896 13.926 2.891) 15.042 3.368 ( 1.381 19.461 12.378) 23.106 3.623 ( 7.480 8.756 -16.841) 20.402 3.832 ( -11.128 5.029 -2.094) 12.390 4.211 ( -15.263 14.476 3.966) 21.406 4.343 ( -1.568 10.144 3.409) 10.816 4.616 ( 4.933 -13.035 1.394) 14.007 4.685 ( -2.382 -0.560 -4.997) 5.564 4.912 ( -3.521 11.714 1.442) 12.317 5.187 ( -6.786 9.288 1.900) 11.659 5.256 ( -13.621 3.937 -8.970) 16.778 5.635 ( 7.738 2.973 -7.741) 11.342 5.676 ( 6.834 -13.315 8.858) 17.391 5.848 ( -4.509 9.717 7.669) 13.175 6.212 ( 1.110 -3.006 6.733) 7.456 6.278 ( -10.351 -10.496 -9.809) 17.707 6.481 ( 3.887 4.434 8.264) 10.152 6.632 ( -6.307 -0.608 1.709) 6.562 6.760 ( 4.326 -3.135 -10.519) 11.798 6.880 ( -0.938 -2.603 -6.844) 7.383 7.132 ( -1.092 -2.743 -3.131) 4.304 7.136 ( -0.658 3.817 7.366) 8.322 7.302 ( -3.770 3.319 -11.606) 12.646 7.608 ( 1.034 0.288 7.368) 7.446 7.699 ( 8.013 -10.550 -1.718) 13.359 7.826 ( 13.808 -7.204 -2.118) 15.717 7.933 ( 3.140 -5.788 0.177) 6.588 8.211 ( -2.355 0.037 5.085) 5.604 8.410 ( -5.654 -6.379 -1.125) 8.598 8.436 ( 2.624 -4.149 -2.414) 5.470 8.537 ( -2.630 0.371 6.596) 7.111 8.871 ( 0.447 -4.969 -0.802) 5.053 9.072 ( -1.158 -2.634 -1.531) 3.259 9.239 ( 1.280 -5.293 8.253) 9.887 9.389 ( -10.035 -0.857 -5.351) 11.405 9.843 ( 9.405 -0.107 1.900) 9.595 10.065 ( 4.427 -3.990 -6.325) 8.691 10.153 ( 4.932 -3.651 -4.027) 7.339 10.275 ( 1.971 -5.534 7.217) 9.306 11.081 ( 1.542 -4.126 4.846) 6.548 11.275 ( -2.342 -6.109 -3.723) 7.527 11.736 ( 22.259 -8.411 3.688) 24.079 12.313 ( 2.428 -9.195 -5.768) 11.123 12.737 ( -5.446 -2.185 2.795) 6.500 12.774 ( -8.801 1.126 -7.690) 11.742 13.190 ( 1.180 -2.169 7.593) 7.985 13.357 ( 3.242 1.231 -1.898) 3.953 13.390 ( 1.163 2.833 1.145) 3.270 13.491 ( -7.168 -1.319 -2.179) 7.607 13.818 ( 2.672 1.553 1.580) 3.471 13.918 ( -1.372 -0.730 -3.109) 3.476 14.424 ( 2.953 -2.124 -6.166) 7.159 14.489 ( -1.425 -1.731 9.158) 9.428 15.861 ( 0.984 4.013 1.426) 4.371 16.014 ( -4.358 4.333 -1.679) 6.370 16.906 ( 5.979 -0.096 3.248) 6.805 17.172 ( -4.009 0.177 -2.545) 4.752 17.562 ( 1.382 -0.546 1.539) 2.139 17.662 ( -2.095 0.220 -2.301) 3.120 20.508 ( 6.224 4.826 8.028) 11.247 20.702 ( 1.432 4.610 -8.651) 9.906 21.648 ( 1.256 2.185 0.061) 2.521 21.738 ( -2.535 3.122 0.213) 4.027 22.393 ( 4.783 -4.543 -0.095) 6.597 22.468 ( 1.882 -5.420 1.715) 5.988 23.387 ( 9.644 -2.029 -8.359) 12.923 23.819 ( -10.233 -11.300 13.082) 20.089 24.285 ( 15.232 5.461 -8.642) 18.345 24.917 ( -12.229 0.016 3.187) 12.637 25.689 ( -7.480 7.622 1.216) 10.749 25.883 ( -10.269 -0.486 -7.851) 12.936 26.331 ( 8.740 4.223 7.308) 12.150 26.764 ( -8.416 0.101 -1.253) 8.509 ======================= Grid point 225 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 23.289 22.205 6.555) 32.839 1.608 ( -26.121 23.797 -5.577) 35.773 2.066 ( 9.664 11.919 -2.877) 15.612 2.436 ( -20.009 16.114 1.545) 25.737 2.838 ( 2.054 15.566 11.586) 19.512 3.037 ( -7.808 7.867 -10.392) 15.193 3.247 ( 12.507 9.249 17.459) 23.383 3.527 ( -1.578 10.800 -11.857) 16.116 3.641 ( 5.490 3.409 -2.562) 6.952 3.916 ( -11.665 1.935 -0.351) 11.830 4.153 ( -5.214 14.512 23.724) 28.295 4.398 ( -18.366 14.933 -15.629) 28.365 4.721 ( 1.416 9.984 -3.351) 10.626 4.752 ( -2.034 5.773 0.340) 6.131 4.974 ( 1.112 4.281 -2.142) 4.914 5.052 ( -6.169 3.786 -3.681) 8.120 5.771 ( 5.129 -9.763 -2.273) 11.260 5.795 ( 0.385 -3.799 6.747) 7.752 5.944 ( 10.158 -2.970 3.700) 11.212 6.213 ( -10.800 3.191 -6.549) 13.028 6.316 ( 4.556 -0.027 8.709) 9.829 6.490 ( -4.555 2.406 5.367) 7.439 6.590 ( 0.068 -2.707 4.559) 5.302 6.762 ( -4.246 2.087 -10.730) 11.726 6.789 ( 9.562 3.931 -16.709) 19.649 6.928 ( -9.006 5.278 7.971) 13.134 7.320 ( 2.198 -10.656 -0.575) 10.895 7.358 ( -1.722 -12.441 -1.209) 12.618 7.756 ( 7.909 -6.391 -1.106) 10.228 7.907 ( -5.682 -8.489 0.263) 10.218 8.070 ( 10.346 -8.809 1.464) 13.667 8.117 ( 10.833 -5.797 1.117) 12.337 8.247 ( 2.217 -5.024 1.633) 5.729 8.436 ( -8.652 -5.188 -6.158) 11.819 8.535 ( 1.961 -0.751 4.953) 5.380 8.575 ( 2.544 -4.958 2.158) 5.976 8.940 ( -0.648 -4.833 1.480) 5.096 9.034 ( -6.397 -1.047 -4.250) 7.751 9.291 ( -1.926 -1.856 6.187) 6.741 9.345 ( -3.725 -1.613 -3.624) 5.441 9.870 ( 4.738 4.765 3.467) 7.561 9.967 ( -3.647 7.159 -0.702) 8.065 10.387 ( 8.350 -7.295 1.041) 11.136 10.467 ( 2.458 -11.653 -3.542) 12.425 11.236 ( 4.930 -8.818 8.126) 12.965 11.364 ( -3.471 -9.451 -7.941) 12.823 12.132 ( 23.423 -8.901 3.412) 25.288 12.505 ( -2.541 -13.294 -5.103) 14.465 12.656 ( -6.230 0.756 -3.792) 7.333 12.735 ( -5.900 -3.638 2.413) 7.339 13.228 ( 3.389 2.598 4.943) 6.532 13.303 ( 0.862 7.450 -4.083) 8.539 13.334 ( 0.946 5.041 3.901) 6.444 13.420 ( -6.019 1.053 -3.460) 7.022 13.884 ( 3.844 -5.567 2.339) 7.158 13.947 ( -1.661 -6.288 -2.145) 6.848 14.479 ( 3.445 -1.456 -4.580) 5.913 14.511 ( -1.277 -0.928 6.441) 6.631 15.812 ( 0.900 3.250 2.110) 3.978 15.888 ( -4.963 4.120 -2.365) 6.870 16.969 ( 6.457 1.241 3.839) 7.614 17.106 ( -5.060 1.503 -3.275) 6.211 17.604 ( 1.157 -2.505 2.373) 3.640 17.645 ( -1.784 -1.621 -2.992) 3.842 20.430 ( 6.169 15.339 12.763) 20.886 20.535 ( 1.279 15.397 -13.376) 20.436 21.619 ( 1.489 2.738 -0.377) 3.140 21.657 ( -2.197 3.387 0.547) 4.074 22.516 ( 4.913 -4.056 -2.727) 6.931 22.568 ( -0.959 -4.512 4.688) 6.577 23.591 ( 20.375 -7.658 -11.506) 24.621 23.952 ( -15.256 -16.286 11.396) 25.056 24.373 ( 19.123 2.809 -6.322) 20.336 24.774 ( -19.464 -1.500 3.677) 19.865 25.517 ( -0.059 6.566 4.252) 7.823 25.760 ( -16.115 -2.905 -7.748) 18.115 26.387 ( 10.962 2.744 6.451) 13.012 26.654 ( -12.558 0.186 -2.037) 12.723 ======================= Grid point 226 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -14.619 2.793 -10.717) 18.340 1.052 ( 14.619 2.793 10.717) 18.340 1.971 ( -12.033 13.643 -5.781) 19.087 1.971 ( 12.033 13.643 5.781) 19.087 2.707 ( -11.915 12.356 -8.386) 19.104 2.707 ( 11.915 12.356 8.386) 19.104 3.233 ( -4.076 10.981 -7.956) 14.160 3.233 ( 4.076 10.981 7.956) 14.160 3.773 ( -1.261 4.095 -19.327) 19.796 3.773 ( 1.261 4.095 19.327) 19.796 3.962 ( -14.271 8.609 -27.616) 32.256 3.962 ( 14.271 8.609 27.616) 32.256 4.537 ( -0.707 12.513 -5.196) 13.567 4.537 ( 0.707 12.513 5.196) 13.567 4.997 ( -1.437 -1.284 -4.401) 4.805 4.997 ( 1.437 -1.284 4.401) 4.805 5.857 ( -5.186 5.382 -3.345) 8.188 5.857 ( 5.186 5.382 3.345) 8.188 6.062 ( 7.147 -3.470 -9.762) 12.586 6.062 ( -7.147 -3.470 9.762) 12.586 6.331 ( 0.366 4.441 -10.201) 11.132 6.331 ( -0.366 4.441 10.201) 11.132 6.671 ( -1.032 1.647 -12.922) 13.067 6.671 ( 1.032 1.647 12.922) 13.067 6.895 ( 2.469 -7.714 -5.601) 9.847 6.895 ( -2.469 -7.714 5.601) 9.847 7.505 ( 3.496 -5.713 -2.671) 7.211 7.505 ( -3.496 -5.713 2.671) 7.211 7.927 ( -4.041 -4.758 -0.118) 6.244 7.927 ( 4.041 -4.758 0.118) 6.244 8.275 ( -4.442 -3.969 -2.510) 6.464 8.275 ( 4.442 -3.969 2.510) 6.464 8.381 ( -5.758 -4.096 -5.490) 8.948 8.381 ( 5.758 -4.096 5.490) 8.948 8.612 ( 0.593 -2.657 -7.271) 7.764 8.612 ( -0.593 -2.657 7.271) 7.764 9.051 ( -1.171 -6.269 -2.622) 6.896 9.051 ( 1.171 -6.269 2.622) 6.896 9.330 ( -0.033 -2.189 -8.055) 8.347 9.330 ( 0.033 -2.189 8.055) 8.347 9.823 ( -1.117 4.976 -2.336) 5.610 9.823 ( 1.117 4.976 2.336) 5.610 10.570 ( -0.661 -3.860 -27.759) 28.034 10.570 ( 0.661 -3.860 27.759) 28.034 11.490 ( -4.988 -12.715 -9.398) 16.579 11.490 ( 4.988 -12.715 9.398) 16.579 12.465 ( -19.482 -1.767 -3.690) 19.907 12.465 ( 19.482 -1.767 3.690) 19.907 12.761 ( 2.251 -5.816 -13.480) 14.853 12.761 ( -2.251 -5.816 13.480) 14.853 13.158 ( 0.487 7.071 -3.858) 8.070 13.158 ( -0.487 7.071 3.858) 8.070 13.317 ( -3.313 2.123 -5.841) 7.043 13.317 ( 3.313 2.123 5.841) 7.043 14.088 ( -2.667 -12.963 -3.960) 13.815 14.088 ( 2.667 -12.963 3.960) 13.815 14.520 ( 0.812 -0.999 -6.204) 6.336 14.520 ( -0.812 -0.999 6.204) 6.336 15.783 ( -1.809 2.665 -3.115) 4.481 15.783 ( 1.809 2.665 3.115) 4.481 17.010 ( -5.615 2.266 -4.084) 7.304 17.010 ( 5.615 2.266 4.084) 7.304 17.684 ( 0.058 -5.787 -4.211) 7.157 17.684 ( -0.058 -5.787 4.211) 7.157 20.142 ( -1.374 28.170 -17.823) 33.363 20.142 ( 1.374 28.170 17.823) 33.363 21.590 ( 0.856 2.394 -3.064) 3.981 21.590 ( -0.856 2.394 3.064) 3.981 22.608 ( 2.746 -2.423 -7.679) 8.507 22.608 ( -2.746 -2.423 7.679) 8.507 24.020 ( -22.228 -13.415 5.172) 26.473 24.020 ( 22.228 -13.415 -5.172) 26.473 24.577 ( -6.462 -2.816 -6.164) 9.364 24.577 ( 6.462 -2.816 6.164) 9.364 25.619 ( -23.498 -6.045 -9.312) 25.989 25.619 ( 23.498 -6.045 9.312) 25.989 26.482 ( -11.265 3.007 -6.203) 13.207 26.482 ( 11.265 3.007 6.203) 13.207 ======================= Grid point 230 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.604 -0.000 -0.913) 1.845 1.730 ( 12.236 0.000 12.554) 17.530 2.276 ( 18.179 0.000 0.724) 18.194 2.589 ( 30.250 0.000 -16.296) 34.360 2.839 ( 4.688 0.000 8.467) 9.679 3.005 ( 25.173 0.000 5.019) 25.668 3.252 ( -1.583 -0.000 -11.877) 11.982 3.621 ( 12.190 0.000 17.323) 21.183 3.770 ( 27.850 0.000 8.131) 29.013 3.878 ( 5.184 0.000 -3.150) 6.066 3.982 ( 14.510 0.000 -14.440) 20.471 4.361 ( 13.512 0.000 14.856) 20.082 4.539 ( 34.876 0.000 -26.519) 43.814 5.010 ( 1.297 0.000 -4.724) 4.899 5.083 ( 2.060 0.000 -0.323) 2.085 5.546 ( 24.046 0.000 4.652) 24.492 5.659 ( -11.718 -0.000 5.305) 12.863 5.702 ( -0.627 -0.000 -3.172) 3.233 5.782 ( -3.364 -0.000 15.467) 15.829 6.056 ( 1.391 0.000 -17.129) 17.186 6.243 ( 13.031 0.000 5.183) 14.024 6.366 ( 0.335 0.000 -1.945) 1.974 6.499 ( -0.410 -0.000 -4.608) 4.626 6.901 ( -0.999 -0.000 17.600) 17.629 7.077 ( -4.438 -0.000 0.453) 4.461 7.138 ( -15.658 -0.000 1.976) 15.782 7.341 ( 0.903 0.000 0.867) 1.252 7.373 ( -0.238 -0.000 -8.047) 8.050 7.750 ( -11.548 -0.000 1.011) 11.593 7.777 ( -8.834 -0.000 4.115) 9.746 8.009 ( 1.166 0.000 -8.790) 8.867 8.172 ( 3.607 0.000 9.020) 9.714 8.327 ( -4.945 -0.000 -7.231) 8.760 8.563 ( -11.910 -0.000 7.027) 13.829 8.567 ( -2.355 -0.000 -0.826) 2.496 8.689 ( 3.571 0.000 -10.122) 10.733 9.050 ( -10.987 -0.000 1.870) 11.145 9.166 ( -4.927 -0.000 1.501) 5.151 9.323 ( -6.813 -0.000 -11.225) 13.131 9.470 ( 0.129 0.000 8.097) 8.098 9.638 ( 0.767 0.000 -8.761) 8.794 9.733 ( -2.443 -0.000 7.545) 7.930 10.295 ( 2.651 0.000 -15.619) 15.843 10.854 ( -8.593 -0.000 23.088) 24.636 11.251 ( -16.628 -0.000 -2.455) 16.808 11.470 ( -16.687 -0.000 9.052) 18.984 12.092 ( -4.483 -0.000 4.335) 6.236 12.407 ( -15.176 -0.000 -8.161) 17.231 12.563 ( -4.636 -0.000 -18.391) 18.966 12.567 ( -17.535 -0.000 14.685) 22.872 12.987 ( -1.752 -0.000 -8.048) 8.236 13.271 ( 2.605 0.000 4.754) 5.421 13.318 ( 5.745 0.000 2.761) 6.374 13.532 ( 3.470 0.000 -4.003) 5.297 13.886 ( -7.566 -0.000 -1.535) 7.720 14.023 ( -6.247 -0.000 5.008) 8.007 14.209 ( -2.918 -0.000 -7.879) 8.403 14.355 ( -5.804 -0.000 -2.088) 6.168 16.067 ( 7.789 0.000 0.544) 7.808 16.069 ( 7.237 0.000 -2.617) 7.696 16.843 ( 2.130 0.000 4.353) 4.846 17.148 ( 2.071 0.000 1.060) 2.327 17.960 ( 0.228 0.000 -0.670) 0.707 17.962 ( -0.701 -0.000 0.971) 1.198 19.222 ( 0.506 0.000 -1.161) 1.266 19.266 ( 2.139 0.000 0.045) 2.139 21.547 ( 0.081 0.000 2.778) 2.779 21.573 ( 1.108 0.000 -3.119) 3.310 22.517 ( -3.350 -0.000 -7.253) 7.989 22.579 ( -9.168 -0.000 6.946) 11.502 23.258 ( -4.582 -0.000 3.722) 5.903 23.775 ( -15.488 -0.000 3.859) 15.962 24.591 ( -2.826 -0.000 -22.401) 22.579 24.875 ( 6.048 0.000 17.371) 18.394 26.025 ( 3.681 0.000 -11.425) 12.003 26.547 ( 8.448 0.000 -2.744) 8.883 26.775 ( 13.699 0.000 33.014) 35.744 27.187 ( 8.150 0.000 -15.798) 17.776 ======================= Grid point 231 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 15.494 6.372 11.894) 20.546 2.169 ( 10.948 -15.387 1.531) 18.946 2.431 ( 11.378 -3.941 7.970) 14.440 2.821 ( 18.923 10.631 -12.097) 24.848 2.908 ( 7.668 1.540 -0.969) 7.881 3.035 ( 4.313 -4.682 -5.195) 8.217 3.312 ( 2.977 2.771 1.123) 4.219 3.710 ( 8.296 4.160 12.893) 15.886 3.844 ( 24.886 11.351 -4.508) 27.721 4.032 ( 14.482 -6.900 1.807) 16.143 4.249 ( 5.599 -8.953 -0.214) 10.561 4.632 ( 13.935 -7.058 12.404) 19.946 4.865 ( 26.288 0.974 -11.665) 28.777 5.102 ( 10.476 -3.425 -10.016) 14.893 5.125 ( 8.701 -1.911 -3.165) 9.454 5.497 ( -9.657 3.546 6.581) 12.213 5.602 ( -4.332 -3.087 2.301) 5.795 5.804 ( 16.128 -1.850 -0.775) 16.252 5.916 ( 7.489 -5.065 -14.302) 16.920 6.049 ( 2.818 5.952 0.963) 6.655 6.245 ( 7.794 5.429 1.342) 9.593 6.370 ( -1.029 -2.293 2.824) 3.781 6.623 ( 0.884 -7.970 0.740) 8.053 6.846 ( -6.520 2.865 1.343) 7.247 6.955 ( -2.001 0.100 1.586) 2.556 7.122 ( -4.875 -1.113 8.147) 9.559 7.229 ( -7.732 5.681 4.362) 10.540 7.372 ( -10.619 1.634 -0.212) 10.746 7.508 ( -4.097 5.783 1.126) 7.176 7.822 ( -3.027 -1.629 2.073) 4.014 8.004 ( -0.931 2.859 -10.901) 11.308 8.200 ( -3.354 5.301 -4.136) 7.514 8.219 ( 6.423 0.108 6.470) 9.117 8.453 ( -8.257 0.214 3.613) 9.015 8.563 ( -0.706 0.139 5.010) 5.061 8.702 ( 0.905 0.573 -9.673) 9.732 8.881 ( -11.424 2.969 -1.619) 11.914 9.102 ( -4.664 2.087 3.447) 6.164 9.238 ( -9.409 -1.674 -6.198) 11.391 9.477 ( -2.827 -0.918 3.953) 4.946 9.677 ( -4.915 -3.377 -2.351) 6.410 9.756 ( 2.482 -4.546 -1.120) 5.299 10.257 ( -2.234 1.132 -10.308) 10.608 10.622 ( -13.061 16.384 15.360) 25.980 11.076 ( -10.733 2.023 -2.784) 11.272 11.340 ( -9.880 0.972 3.743) 10.610 11.830 ( -10.226 17.479 1.899) 20.339 12.307 ( -14.390 -7.529 7.117) 17.731 12.475 ( -6.524 -1.630 -9.565) 11.692 12.642 ( -15.869 -19.627 0.321) 25.242 12.931 ( -4.022 1.177 -6.225) 7.504 13.308 ( 0.380 -1.069 -0.040) 1.135 13.358 ( 5.351 2.679 4.039) 7.220 13.547 ( 2.760 1.200 -4.385) 5.319 13.809 ( 0.181 1.959 2.667) 3.314 14.026 ( -0.181 -1.229 3.642) 3.848 14.204 ( -2.841 -3.825 -7.584) 8.957 14.300 ( -5.774 -1.138 -1.712) 6.129 16.099 ( 7.242 3.460 -2.031) 8.279 16.136 ( 6.718 1.246 0.639) 6.862 16.862 ( 2.806 2.003 4.839) 5.941 17.175 ( 0.892 -1.073 -0.210) 1.411 17.865 ( 0.759 9.380 0.355) 9.417 17.869 ( 0.171 7.906 0.385) 7.917 19.385 ( -0.085 -18.581 -1.602) 18.651 19.546 ( -1.607 -24.829 0.790) 24.894 21.555 ( 0.488 -0.399 1.121) 1.286 21.603 ( 0.955 -2.582 -1.493) 3.132 22.436 ( -5.328 2.653 -4.401) 7.402 22.485 ( -9.258 0.924 4.783) 10.462 23.248 ( 0.927 -0.380 -1.547) 1.843 23.653 ( -12.240 -1.541 6.478) 13.934 24.525 ( 6.553 4.893 -18.098) 19.860 24.974 ( 2.588 -1.746 16.374) 16.669 26.057 ( 6.775 0.330 -11.859) 13.662 26.588 ( 8.237 4.158 -3.295) 9.797 26.793 ( 5.293 13.556 23.732) 27.839 27.175 ( 2.714 4.416 -9.759) 11.050 ======================= Grid point 232 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 22.615 -7.059 17.930) 29.711 2.374 ( 14.483 0.627 -0.724) 14.515 2.691 ( 10.337 13.962 -9.202) 19.659 2.765 ( 4.608 -19.420 9.353) 22.042 2.857 ( 1.124 6.753 -9.229) 11.491 3.188 ( 10.417 1.779 -2.303) 10.816 3.347 ( -5.969 -9.422 4.271) 11.943 3.735 ( 9.993 4.914 4.589) 12.045 3.930 ( 21.575 5.125 -0.921) 22.195 4.241 ( 4.114 -1.918 -7.597) 8.849 4.457 ( 8.448 -11.215 5.611) 15.120 4.828 ( 9.969 0.851 13.325) 16.663 4.972 ( 2.427 8.322 -6.139) 10.623 5.071 ( 8.073 3.343 -3.225) 9.314 5.226 ( -1.475 -1.765 -0.650) 2.390 5.485 ( 3.557 -4.700 10.696) 12.213 5.662 ( -3.371 14.235 -4.685) 15.361 5.856 ( 1.359 -5.178 -17.939) 18.721 5.991 ( 3.721 -5.235 2.791) 7.003 6.073 ( 14.201 -0.464 -7.523) 16.078 6.293 ( -4.046 -1.054 -5.126) 6.615 6.488 ( 9.847 0.580 6.327) 11.719 6.731 ( -1.606 -4.271 -3.689) 5.867 6.795 ( 5.059 -7.399 8.987) 12.693 6.944 ( -2.399 8.147 -1.374) 8.603 7.050 ( -4.735 2.827 9.618) 11.087 7.094 ( 8.073 -3.591 -3.029) 9.340 7.295 ( -6.904 -0.921 6.784) 9.723 7.397 ( -5.972 4.957 0.021) 7.761 7.690 ( -7.672 11.892 3.560) 14.593 7.823 ( -5.858 7.273 -10.429) 14.000 8.121 ( -2.115 2.612 2.562) 4.226 8.323 ( 6.757 -1.241 -3.002) 7.497 8.439 ( 0.881 -0.167 2.870) 3.007 8.519 ( -2.867 1.338 4.459) 5.467 8.649 ( -1.877 0.743 -0.072) 2.020 8.806 ( -4.121 -2.252 -6.966) 8.401 9.001 ( -8.034 2.923 0.091) 8.550 9.147 ( -7.128 2.642 -1.636) 7.776 9.454 ( -4.215 -0.106 0.336) 4.230 9.624 ( -8.528 -0.408 2.046) 8.780 9.876 ( -3.139 -7.701 -4.707) 9.555 10.198 ( -5.513 2.525 1.893) 6.353 10.246 ( -4.598 12.377 3.635) 13.695 10.970 ( -5.303 0.200 -0.784) 5.364 11.264 ( -0.221 1.455 -0.071) 1.474 11.467 ( -9.780 12.167 -0.067) 15.611 12.239 ( -8.399 1.763 -5.980) 10.460 12.519 ( -9.874 -12.717 11.008) 19.503 12.801 ( -16.642 -18.079 -0.469) 24.577 12.864 ( -3.130 0.521 -3.110) 4.443 13.299 ( -1.309 0.723 -4.602) 4.839 13.359 ( 3.321 3.072 3.561) 5.757 13.531 ( 1.376 2.181 -4.483) 5.171 13.848 ( 4.977 -1.664 2.359) 5.754 14.042 ( 1.766 1.302 3.113) 3.809 14.228 ( -2.174 -3.699 -11.194) 11.988 14.278 ( -5.600 -3.457 5.053) 8.297 16.102 ( 7.069 4.521 -1.498) 8.524 16.174 ( 5.463 1.853 1.381) 5.932 16.858 ( 2.957 2.604 3.494) 5.267 17.193 ( -0.903 -0.977 -1.263) 1.835 17.714 ( 1.287 8.295 -0.799) 8.432 17.774 ( 0.085 4.242 1.762) 4.594 19.733 ( -0.982 -22.232 -0.610) 22.262 19.947 ( -4.375 -25.525 0.265) 25.899 21.579 ( 0.998 -1.539 0.180) 1.843 21.665 ( 0.529 -3.893 -0.490) 3.959 22.328 ( -4.875 2.602 -1.460) 5.715 22.384 ( -7.161 1.335 1.480) 7.433 23.272 ( 2.980 -0.390 -4.179) 5.147 23.596 ( -9.345 -2.828 9.132) 13.368 24.494 ( 11.194 6.257 -15.581) 20.180 25.032 ( -1.226 -0.659 14.301) 14.369 26.092 ( 7.320 1.988 -11.820) 14.045 26.577 ( 6.615 6.925 0.532) 9.592 26.597 ( 3.340 16.687 11.985) 20.815 27.083 ( -0.586 5.817 -3.713) 6.925 ======================= Grid point 233 (105/117) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 20.465 9.439 16.879) 28.157 2.476 ( 1.473 2.542 -4.302) 5.210 2.585 ( 10.024 7.044 -1.372) 12.328 2.781 ( 5.224 4.401 -4.046) 7.939 3.152 ( 4.299 -16.786 2.696) 17.536 3.233 ( 7.634 0.124 1.754) 7.834 3.431 ( -3.479 -7.974 4.622) 9.852 3.799 ( 8.669 -0.649 -2.464) 9.036 4.054 ( 3.166 -0.740 -2.952) 4.392 4.248 ( 11.650 6.452 -5.210) 14.300 4.701 ( -1.605 4.769 1.372) 5.215 4.788 ( 5.177 -6.757 -1.888) 8.719 4.898 ( 5.607 5.652 16.171) 18.025 5.105 ( 2.211 7.549 -1.697) 8.047 5.213 ( -1.227 -0.186 3.526) 3.738 5.307 ( -4.201 8.776 -6.730) 11.830 5.756 ( 13.588 -12.038 5.427) 18.947 5.841 ( -5.874 8.846 -14.105) 17.655 5.962 ( -0.254 10.323 -7.439) 12.727 6.065 ( -13.212 -6.733 3.248) 15.180 6.308 ( -3.767 -6.672 -2.388) 8.026 6.465 ( -2.033 0.543 2.256) 3.085 6.745 ( 2.102 11.280 -4.419) 12.296 6.849 ( -2.446 6.223 0.978) 6.758 7.013 ( 12.638 1.002 0.506) 12.688 7.049 ( 2.365 8.131 8.190) 11.781 7.187 ( -10.436 -0.142 -1.525) 10.548 7.262 ( 11.641 -4.071 2.261) 12.538 7.329 ( 2.135 -4.082 8.316) 9.507 7.476 ( -2.769 0.064 4.603) 5.372 7.750 ( 1.281 -6.082 -14.403) 15.687 8.029 ( -4.323 4.694 0.964) 6.454 8.359 ( 0.289 1.286 -5.237) 5.401 8.415 ( -3.601 -1.067 1.351) 3.991 8.550 ( 3.595 -1.088 1.510) 4.048 8.636 ( 0.361 2.090 -2.365) 3.177 8.742 ( -6.411 6.385 7.557) 11.789 8.902 ( -3.795 -3.106 -2.896) 5.695 8.978 ( -2.392 9.143 -1.237) 9.531 9.400 ( -6.623 -0.413 -1.096) 6.726 9.558 ( -6.797 -2.160 -0.610) 7.158 9.893 ( -6.868 -3.674 1.913) 8.020 10.084 ( 0.056 1.137 6.070) 6.176 10.217 ( 1.854 -0.175 -2.748) 3.319 10.961 ( -2.651 -3.366 1.150) 4.436 11.218 ( -5.579 5.057 -3.392) 8.258 11.327 ( 8.492 -0.961 2.060) 8.791 12.125 ( -4.856 0.703 -9.984) 11.124 12.647 ( -8.240 -9.341 11.491) 16.947 12.822 ( -10.098 -5.294 0.276) 11.405 12.916 ( -7.598 -9.502 1.689) 12.283 13.263 ( -3.835 -1.803 -7.123) 8.288 13.351 ( 2.767 2.023 3.314) 4.768 13.492 ( -0.071 2.158 -4.157) 4.684 13.929 ( 6.593 0.056 -2.562) 7.073 14.026 ( 1.121 3.224 4.047) 5.294 14.249 ( -2.023 -4.381 -7.701) 9.088 14.315 ( -4.013 -4.836 6.484) 9.029 16.086 ( 6.047 5.377 -0.698) 8.122 16.188 ( 2.993 2.294 1.032) 3.910 16.859 ( 3.625 1.706 2.820) 4.900 17.182 ( -3.009 -0.568 -1.892) 3.599 17.623 ( 1.842 4.439 -0.962) 4.901 17.725 ( -0.930 1.873 1.390) 2.511 20.073 ( 0.313 -18.590 1.316) 18.639 20.286 ( -4.497 -20.505 -1.453) 21.042 21.624 ( 1.562 -2.061 -0.188) 2.593 21.732 ( -0.546 -3.885 0.093) 3.925 22.260 ( -2.034 0.748 -1.163) 2.459 22.314 ( -4.295 -0.113 1.019) 4.415 23.304 ( 3.946 -0.306 -5.724) 6.959 23.579 ( -8.390 -3.540 10.848) 14.164 24.483 ( 13.214 6.764 -14.117) 20.485 25.022 ( -5.316 0.697 11.936) 13.085 26.083 ( 5.298 4.463 -11.414) 13.352 26.333 ( -1.389 16.335 9.345) 18.870 26.550 ( 8.473 7.228 0.493) 11.148 26.966 ( -3.026 5.349 -1.155) 6.254 ======================= Grid point 234 (106/117) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 20.790 17.858 9.752) 29.090 2.419 ( -2.265 0.295 -4.618) 5.152 2.547 ( 8.864 9.789 1.667) 13.311 2.736 ( 0.320 4.376 2.543) 5.071 3.188 ( -0.395 5.455 1.339) 5.630 3.348 ( -3.779 -2.147 0.597) 4.387 3.716 ( 1.356 -12.395 12.383) 17.573 3.886 ( 1.038 -0.656 -13.672) 13.727 3.998 ( 8.781 2.024 -1.082) 9.076 4.240 ( 11.244 8.636 -6.721) 15.690 4.587 ( -5.059 -0.395 -1.500) 5.291 4.731 ( -10.751 16.331 8.912) 21.488 4.827 ( 8.603 9.663 7.641) 15.026 5.096 ( -2.970 2.809 -1.505) 4.356 5.190 ( 9.033 -9.039 0.670) 12.796 5.405 ( -0.508 2.957 -9.755) 10.206 5.506 ( 7.908 3.162 3.471) 9.197 5.846 ( -15.050 5.063 -1.538) 15.953 5.928 ( -10.886 5.591 1.393) 12.316 6.129 ( 3.412 -13.447 0.456) 13.880 6.277 ( -5.735 -0.528 -9.489) 11.100 6.434 ( -3.209 -1.743 5.722) 6.787 6.586 ( 0.141 3.352 -0.387) 3.377 6.656 ( -6.672 17.680 -1.341) 18.945 6.797 ( 0.372 2.272 -1.789) 2.916 7.094 ( -2.884 -0.779 -0.190) 2.993 7.173 ( 7.763 2.036 7.253) 10.817 7.404 ( 2.849 -5.931 7.764) 10.177 7.497 ( 8.176 -7.226 -4.069) 11.646 7.607 ( -1.547 1.037 -11.807) 11.953 7.818 ( 8.288 -4.382 -2.655) 9.744 7.958 ( -3.319 1.537 6.820) 7.738 8.262 ( -4.725 6.222 -2.740) 8.279 8.334 ( -9.736 2.663 6.597) 12.058 8.495 ( -2.602 6.798 -9.742) 12.161 8.565 ( -4.453 5.245 8.951) 11.290 8.708 ( 8.482 -4.124 -3.108) 9.930 8.907 ( 0.081 -2.586 5.164) 5.775 9.026 ( 7.360 -7.503 -3.762) 11.164 9.332 ( -10.091 -2.210 -2.546) 10.639 9.607 ( 4.347 -7.179 -4.755) 9.646 9.929 ( -3.059 -5.292 7.016) 9.305 10.108 ( -0.052 -1.597 5.031) 5.279 10.226 ( 1.388 0.952 -3.407) 3.800 10.996 ( -1.297 -2.370 2.316) 3.558 11.130 ( -4.722 -2.001 -3.687) 6.316 11.519 ( 17.454 -4.462 4.077) 18.471 12.093 ( -2.914 -3.736 -9.958) 11.028 12.685 ( -5.554 -2.640 5.071) 7.971 12.783 ( -11.932 -2.934 -1.676) 12.402 13.022 ( -0.408 -7.580 7.485) 10.661 13.272 ( -5.450 -6.274 -5.744) 10.102 13.365 ( 1.969 0.078 2.077) 2.862 13.450 ( -1.587 0.877 -2.848) 3.376 13.951 ( 4.951 3.597 -7.352) 9.566 13.980 ( 0.438 3.704 4.879) 6.141 14.309 ( -0.069 -5.019 -3.701) 6.237 14.372 ( -3.031 -4.785 6.331) 8.495 16.043 ( 4.502 6.175 0.119) 7.643 16.153 ( -0.426 3.823 0.080) 3.848 16.894 ( 5.105 0.103 2.923) 5.884 17.149 ( -4.649 -0.852 -2.382) 5.293 17.591 ( 2.251 2.115 -0.307) 3.103 17.688 ( -1.949 1.199 0.172) 2.295 20.357 ( 2.642 -12.844 3.892) 13.679 20.529 ( -3.295 -13.917 -4.038) 14.861 21.671 ( 1.961 -1.101 -0.211) 2.259 21.769 ( -2.101 -1.714 0.298) 2.728 22.266 ( 1.025 -2.365 -0.124) 2.580 22.313 ( -1.190 -3.144 0.198) 3.368 23.345 ( 5.436 -0.662 -7.319) 9.141 23.578 ( -8.866 -4.316 11.838) 15.407 24.488 ( 14.396 6.509 -12.553) 20.179 24.945 ( -9.720 1.682 9.652) 13.801 26.005 ( 1.574 6.614 -10.638) 12.625 26.067 ( -3.108 14.338 7.184) 16.336 26.521 ( 8.410 6.792 2.671) 11.135 26.840 ( -5.431 4.308 -0.913) 6.991 ======================= Grid point 235 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 24.060 21.949 6.254) 33.163 2.278 ( -13.841 10.873 -2.893) 17.837 2.502 ( 12.880 9.222 -2.374) 16.018 2.680 ( -2.711 2.057 4.363) 5.533 3.057 ( -2.547 5.535 5.481) 8.196 3.228 ( -14.033 3.101 -7.831) 16.367 3.734 ( 4.076 9.980 16.665) 19.847 3.791 ( 4.303 6.221 -15.886) 17.595 3.996 ( 7.222 17.441 4.453) 19.396 4.285 ( -13.098 10.903 0.540) 17.051 4.449 ( 5.955 -8.211 -4.324) 11.026 4.586 ( -4.422 -4.731 -0.211) 6.479 4.710 ( 11.421 17.498 7.014) 22.041 4.976 ( -5.920 6.189 -8.179) 11.843 5.219 ( -1.013 4.601 -6.025) 7.648 5.347 ( -13.956 17.651 4.648) 22.976 5.539 ( 12.631 -13.620 10.209) 21.196 5.757 ( 6.434 -2.947 4.651) 8.468 5.918 ( -6.875 -9.063 -8.088) 13.958 6.041 ( -8.021 12.672 0.606) 15.009 6.241 ( -0.546 2.972 -4.248) 5.213 6.348 ( -10.399 -2.526 -2.733) 11.045 6.609 ( 4.171 -14.211 -1.430) 14.879 6.686 ( -3.871 -9.029 2.423) 10.118 6.832 ( 11.803 2.580 2.941) 12.435 7.075 ( -7.746 -0.309 -1.651) 7.926 7.202 ( 4.653 2.736 6.037) 8.098 7.346 ( -5.733 9.439 -13.812) 17.684 7.593 ( 3.306 -7.480 2.708) 8.615 7.662 ( -3.043 -0.815 1.353) 3.429 7.908 ( 12.869 1.013 3.165) 13.291 7.966 ( 8.713 3.313 -3.982) 10.137 8.166 ( -5.609 -1.947 3.737) 7.015 8.222 ( -10.129 -3.370 0.906) 10.713 8.416 ( 3.418 -0.896 -3.343) 4.864 8.512 ( -4.902 -1.480 4.660) 6.923 8.828 ( 4.891 -2.539 -0.340) 5.521 8.961 ( -5.863 -3.945 0.995) 7.137 9.197 ( 4.020 -4.863 -0.632) 6.341 9.275 ( -6.006 -2.207 -0.972) 6.472 9.869 ( 13.145 -11.795 -8.870) 19.763 10.017 ( -0.368 -5.364 6.154) 8.172 10.148 ( -1.946 -3.320 7.945) 8.828 10.188 ( -2.098 1.557 -5.229) 5.845 11.048 ( 2.646 -3.376 2.842) 5.145 11.141 ( -4.420 -4.768 -2.747) 7.058 11.825 ( 19.557 -7.770 5.272) 21.694 12.135 ( -6.055 -8.099 -8.138) 12.980 12.665 ( -4.653 -0.612 3.931) 6.122 12.693 ( -6.897 0.132 -4.141) 8.045 13.172 ( 4.572 -5.741 6.642) 9.898 13.319 ( -6.060 -6.600 -4.069) 9.841 13.387 ( 1.414 -0.260 0.519) 1.528 13.423 ( -1.893 -0.142 -0.840) 2.076 13.901 ( 2.248 4.653 -0.596) 5.201 13.930 ( -0.365 3.282 -1.333) 3.561 14.390 ( 2.508 -3.979 -5.218) 7.025 14.429 ( -3.055 -4.071 7.143) 8.771 15.979 ( 3.491 6.280 0.920) 7.243 16.053 ( -3.229 5.433 -0.921) 6.387 16.968 ( 6.382 -0.889 3.358) 7.266 17.108 ( -5.622 -1.062 -3.000) 6.460 17.590 ( 2.359 1.038 0.890) 2.726 17.645 ( -2.467 0.977 -1.157) 2.895 20.562 ( 4.233 -5.947 7.010) 10.121 20.660 ( -2.429 -6.360 -7.213) 9.919 21.694 ( 2.229 0.955 -0.112) 2.427 21.747 ( -2.806 1.126 0.207) 3.030 22.352 ( 2.761 -5.067 0.354) 5.781 22.385 ( -0.231 -5.603 0.096) 5.609 23.424 ( 8.794 -2.629 -9.545) 13.243 23.587 ( -10.435 -6.033 12.198) 17.148 24.521 ( 15.824 5.351 -10.234) 19.590 24.804 ( -14.263 2.380 7.880) 16.468 25.828 ( -1.929 11.898 5.860) 13.403 25.864 ( -2.582 7.595 -8.504) 11.690 26.514 ( 9.039 5.210 4.048) 11.191 26.706 ( -8.062 3.306 -2.051) 8.951 ======================= Grid point 236 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -20.682 25.107 -11.316) 34.440 1.739 ( 20.682 25.107 11.316) 34.440 2.473 ( -10.782 12.608 -3.420) 16.939 2.473 ( 10.782 12.608 3.420) 16.939 3.046 ( -5.170 3.372 -15.288) 16.487 3.046 ( 5.170 3.372 15.288) 16.487 3.618 ( -6.645 11.870 -11.121) 17.570 3.618 ( 6.645 11.870 11.121) 17.570 3.862 ( -5.436 11.923 -16.190) 20.828 3.862 ( 5.436 11.923 16.190) 20.828 4.499 ( -11.102 16.012 -8.728) 21.350 4.499 ( 11.102 16.012 8.728) 21.350 4.731 ( -4.763 -4.751 -2.552) 7.195 4.731 ( 4.763 -4.751 2.552) 7.195 5.132 ( -0.323 8.092 -2.689) 8.533 5.132 ( 0.323 8.092 2.689) 8.533 5.758 ( 6.821 3.524 -9.422) 12.154 5.758 ( -6.821 3.524 9.422) 12.154 5.955 ( -13.976 -10.946 -13.879) 22.534 5.955 ( 13.976 -10.946 13.879) 22.534 6.363 ( -8.394 -6.443 -6.601) 12.471 6.363 ( 8.394 -6.443 6.601) 12.471 6.724 ( -5.369 4.021 -12.004) 13.751 6.724 ( 5.369 4.021 12.004) 13.751 6.940 ( 3.619 1.211 -6.964) 7.941 6.940 ( -3.619 1.211 6.964) 7.941 7.208 ( 0.701 -0.805 -5.136) 5.246 7.208 ( -0.701 -0.805 5.136) 5.246 7.697 ( -3.712 -7.115 -3.452) 8.736 7.697 ( 3.712 -7.115 3.452) 8.736 8.040 ( -1.962 -4.977 -6.459) 8.387 8.040 ( 1.962 -4.977 6.459) 8.387 8.227 ( -5.038 -6.049 -4.410) 9.023 8.227 ( 5.038 -6.049 4.410) 9.023 8.518 ( 3.802 -3.845 -3.249) 6.308 8.518 ( -3.802 -3.845 3.249) 6.308 8.920 ( -4.195 -1.805 -5.581) 7.211 8.920 ( 4.195 -1.805 5.581) 7.211 9.279 ( -2.031 -2.195 -1.455) 3.325 9.279 ( 2.031 -2.195 1.455) 3.325 10.020 ( -4.725 4.275 -4.923) 8.052 10.020 ( 4.725 4.275 4.923) 8.052 10.265 ( 6.030 -11.829 -16.197) 20.943 10.265 ( -6.030 -11.829 16.197) 20.943 11.176 ( -2.926 -6.154 -8.250) 10.701 11.176 ( 2.926 -6.154 8.250) 10.701 12.178 ( -15.418 -10.980 -6.007) 19.858 12.178 ( 15.418 -10.980 6.007) 19.858 12.648 ( 0.756 -0.292 -3.662) 3.750 12.648 ( -0.756 -0.292 3.662) 3.750 13.312 ( -3.105 -1.545 -9.233) 9.862 13.312 ( 3.105 -1.545 9.233) 9.862 13.401 ( 1.295 1.231 -3.270) 3.727 13.401 ( -1.295 1.231 3.270) 3.727 13.873 ( 0.804 0.582 -8.343) 8.402 13.873 ( -0.804 0.582 8.343) 8.402 14.467 ( 3.315 -2.731 -7.244) 8.422 14.467 ( -3.315 -2.731 7.244) 8.422 15.919 ( -3.441 5.423 -2.057) 6.744 15.919 ( 3.441 5.423 2.057) 6.744 17.052 ( -5.474 -0.170 -4.470) 7.069 17.052 ( 5.474 -0.170 4.470) 7.069 17.608 ( -1.093 0.011 -3.801) 3.955 17.608 ( 1.093 0.011 3.801) 3.955 20.648 ( -2.259 3.023 -12.481) 13.039 20.648 ( 2.259 3.023 12.481) 13.039 21.686 ( -0.089 2.682 -2.539) 3.694 21.686 ( 0.089 2.682 2.539) 3.694 22.471 ( 1.819 -5.556 -8.035) 9.937 22.471 ( -1.819 -5.556 8.035) 9.937 23.606 ( 13.153 -8.327 -12.177) 19.764 23.606 ( -13.153 -8.327 12.177) 19.764 24.606 ( 3.563 3.055 -9.875) 10.934 24.606 ( -3.563 3.055 9.875) 10.934 25.683 ( -4.569 7.369 -8.121) 11.879 25.683 ( 4.569 7.369 8.121) 11.879 26.555 ( -7.571 2.732 -7.044) 10.696 26.555 ( 7.571 2.732 7.044) 10.696 ======================= Grid point 242 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 7.550 0.000 11.201) 13.508 1.994 ( 9.191 0.000 7.133) 11.634 2.594 ( 7.465 0.000 11.348) 13.583 2.832 ( -2.105 -0.000 2.853) 3.545 3.068 ( 15.704 0.000 -16.104) 22.493 3.230 ( 3.314 0.000 0.435) 3.343 3.364 ( 10.297 0.000 0.107) 10.297 3.841 ( 7.658 0.000 6.198) 9.852 4.047 ( 7.833 0.000 -6.576) 10.227 4.050 ( 10.490 0.000 -14.338) 17.766 4.477 ( 26.250 0.000 16.119) 30.804 4.686 ( 13.232 0.000 8.354) 15.649 5.078 ( 7.462 0.000 -1.666) 7.646 5.149 ( 6.696 0.000 1.379) 6.837 5.222 ( 11.252 0.000 -12.662) 16.939 5.475 ( -9.220 -0.000 9.312) 13.104 5.588 ( 21.477 0.000 -3.496) 21.760 5.747 ( -3.966 -0.000 -15.117) 15.629 5.998 ( 11.575 0.000 -16.171) 19.887 6.176 ( -0.094 -0.000 12.258) 12.258 6.360 ( 1.575 0.000 -0.468) 1.643 6.481 ( 8.733 0.000 7.145) 11.284 6.522 ( 5.537 0.000 2.833) 6.220 6.777 ( -2.855 -0.000 -11.945) 12.281 6.967 ( 1.756 0.000 1.489) 2.303 7.027 ( -7.791 -0.000 12.655) 14.861 7.200 ( -12.465 -0.000 -0.540) 12.476 7.237 ( -8.581 -0.000 7.295) 11.263 7.630 ( -0.362 -0.000 2.241) 2.270 7.791 ( 6.251 0.000 0.216) 6.255 8.012 ( 0.341 0.000 -10.004) 10.009 8.245 ( 3.280 0.000 -6.338) 7.136 8.256 ( -5.518 -0.000 14.034) 15.080 8.388 ( 0.194 0.000 -0.893) 0.914 8.547 ( -4.990 -0.000 8.311) 9.693 8.677 ( -1.114 -0.000 -16.545) 16.583 8.783 ( -12.293 -0.000 4.855) 13.217 9.065 ( -7.302 -0.000 0.868) 7.353 9.122 ( -6.456 -0.000 1.794) 6.701 9.429 ( -5.944 -0.000 3.188) 6.745 9.598 ( -3.329 -0.000 -12.214) 12.659 9.732 ( -1.247 -0.000 2.805) 3.070 10.182 ( -8.088 -0.000 -8.074) 11.428 10.637 ( -18.948 -0.000 12.905) 22.926 11.015 ( -3.082 -0.000 -2.006) 3.677 11.294 ( -2.333 -0.000 5.285) 5.777 12.003 ( -6.241 -0.000 9.816) 11.632 12.023 ( -16.303 -0.000 -8.859) 18.555 12.189 ( -22.938 -0.000 9.905) 24.986 12.391 ( -6.105 -0.000 -16.554) 17.644 12.898 ( -2.633 -0.000 -6.272) 6.803 13.273 ( -3.803 -0.000 -0.753) 3.877 13.446 ( 4.641 0.000 4.701) 6.606 13.586 ( 3.581 0.000 -6.281) 7.231 13.841 ( 0.073 0.000 7.631) 7.631 14.006 ( -0.085 -0.000 4.294) 4.295 14.150 ( 0.184 0.000 -6.417) 6.419 14.239 ( -3.364 -0.000 -3.460) 4.825 16.194 ( 6.075 0.000 -1.976) 6.388 16.213 ( 6.354 0.000 0.281) 6.360 16.928 ( 3.274 0.000 7.597) 8.272 17.169 ( 0.027 0.000 -1.998) 1.999 17.947 ( -1.038 -0.000 0.929) 1.393 17.958 ( -0.253 -0.000 -0.613) 0.663 19.242 ( 1.474 0.000 -0.275) 1.500 19.307 ( 1.705 0.000 -0.909) 1.933 21.563 ( 0.431 0.000 2.688) 2.722 21.584 ( 1.072 0.000 -3.031) 3.215 22.393 ( -5.266 -0.000 -9.581) 10.933 22.397 ( -10.615 -0.000 10.180) 14.707 23.265 ( 3.662 0.000 -5.120) 6.295 23.547 ( -8.762 -0.000 8.516) 12.219 24.612 ( 9.864 0.000 -19.400) 21.764 25.016 ( 0.624 0.000 20.181) 20.191 26.130 ( 10.567 0.000 -12.218) 16.154 26.690 ( 6.809 0.000 -3.268) 7.553 26.957 ( -3.937 -0.000 23.422) 23.750 27.195 ( -1.199 -0.000 -10.823) 10.890 ======================= Grid point 243 (110/117) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 15.896 -6.119 13.776) 21.907 2.329 ( 3.710 -21.318 5.373) 22.296 2.609 ( 1.040 2.008 11.804) 12.019 2.834 ( -5.715 -2.471 -7.064) 9.416 3.101 ( 10.174 17.037 5.162) 20.504 3.201 ( 7.737 -3.901 -6.864) 11.055 3.395 ( 4.495 6.549 -1.557) 8.094 3.852 ( -0.202 2.789 -5.902) 6.530 4.176 ( 9.337 0.018 0.066) 9.337 4.230 ( 17.644 -7.713 -9.476) 21.461 4.590 ( 19.621 8.765 9.131) 23.349 4.937 ( 9.591 -3.477 8.062) 13.003 5.111 ( -3.891 8.439 -7.411) 11.886 5.161 ( 7.498 -0.819 1.028) 7.612 5.218 ( 4.464 0.682 -0.155) 4.519 5.459 ( 0.750 -4.080 9.054) 9.959 5.670 ( -10.236 -4.244 -18.705) 21.741 5.825 ( 2.024 6.255 2.152) 6.918 6.053 ( 8.071 3.267 -0.260) 8.711 6.120 ( -1.793 -0.993 2.545) 3.267 6.366 ( 8.295 3.091 -2.168) 9.114 6.539 ( -7.772 -5.134 -16.017) 18.529 6.648 ( 10.647 -0.985 12.529) 16.471 6.822 ( 17.161 -0.230 -2.710) 17.375 6.937 ( -10.188 -3.464 -3.030) 11.180 7.076 ( 5.416 -0.037 7.369) 9.145 7.115 ( 2.135 -4.563 3.327) 6.037 7.199 ( 0.474 2.140 2.632) 3.425 7.539 ( 1.176 8.918 3.592) 9.686 7.810 ( -1.107 6.673 2.179) 7.107 7.905 ( -2.331 9.605 -3.790) 10.586 8.144 ( -5.863 3.877 3.959) 8.067 8.336 ( 3.769 -3.430 -3.431) 6.144 8.461 ( -6.558 -0.931 4.521) 8.020 8.462 ( 0.345 -0.884 1.250) 1.569 8.613 ( -2.958 -1.144 -8.282) 8.869 8.728 ( -2.349 -1.671 -1.041) 3.065 8.937 ( -10.766 3.136 -1.297) 11.288 9.120 ( -1.069 -1.228 10.630) 10.754 9.386 ( -5.928 -2.209 0.154) 6.328 9.535 ( -9.351 -1.900 -6.980) 11.823 9.710 ( -7.646 -1.743 -3.612) 8.634 10.126 ( -3.667 -3.323 -4.389) 6.614 10.368 ( -14.455 9.644 7.712) 19.012 10.976 ( 1.443 3.680 -0.471) 3.981 11.305 ( 4.427 0.256 2.569) 5.124 11.590 ( -12.599 16.355 -1.527) 20.701 12.059 ( -13.473 -9.308 12.009) 20.307 12.280 ( -16.810 -20.218 0.662) 26.302 12.303 ( -5.961 -3.612 -13.212) 14.938 12.857 ( -0.604 1.281 -4.025) 4.267 13.226 ( -7.185 -1.328 -3.676) 8.180 13.471 ( 3.666 3.113 5.402) 7.233 13.585 ( 2.386 2.370 -5.840) 6.739 13.867 ( 2.684 -1.267 7.009) 7.612 14.057 ( 0.143 -3.962 3.062) 5.010 14.148 ( 0.024 -0.369 -4.535) 4.550 14.210 ( -1.902 -0.120 -2.713) 3.316 16.228 ( 5.810 2.611 -1.054) 6.457 16.263 ( 5.195 1.443 0.376) 5.405 16.950 ( 3.259 2.658 6.535) 7.771 17.164 ( -1.283 -0.553 -3.070) 3.373 17.867 ( -0.272 7.406 0.120) 7.412 17.874 ( -0.028 7.436 0.311) 7.442 19.398 ( 1.369 -16.182 0.162) 16.241 19.516 ( -1.403 -20.281 -0.903) 20.350 21.574 ( 0.951 -0.501 0.830) 1.358 21.614 ( 0.486 -2.514 -1.111) 2.791 22.301 ( -6.566 1.190 1.982) 6.961 22.322 ( -6.585 0.102 -1.740) 6.812 23.297 ( 4.550 -0.069 -6.977) 8.329 23.499 ( -6.614 -1.263 10.129) 12.163 24.663 ( 12.317 3.241 -18.360) 22.345 25.043 ( -2.770 0.333 19.336) 19.536 26.209 ( 11.945 2.290 -12.135) 17.181 26.721 ( 4.853 3.446 -0.315) 5.960 26.844 ( -4.903 10.035 14.606) 18.387 27.129 ( -3.573 2.950 -5.665) 7.319 ======================= Grid point 244 (111/117) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 13.489 -7.431 16.183) 22.340 2.509 ( -1.960 1.481 1.372) 2.814 2.804 ( 3.482 -2.206 -11.374) 12.098 2.813 ( 0.899 -19.493 6.948) 20.714 2.981 ( 10.123 9.018 7.532) 15.509 3.260 ( -1.596 3.386 1.331) 3.972 3.352 ( 4.997 -0.431 -4.082) 6.467 3.768 ( -6.832 -0.303 -9.602) 11.789 4.221 ( 11.186 6.994 3.347) 13.611 4.499 ( 19.406 1.210 -3.249) 19.713 4.720 ( 11.829 -3.651 0.905) 12.413 4.816 ( -4.067 10.335 -7.256) 13.267 5.072 ( 6.378 3.549 8.913) 11.520 5.206 ( 0.932 1.747 -0.843) 2.152 5.254 ( 4.867 0.754 5.692) 7.527 5.437 ( -8.379 13.552 -5.121) 16.736 5.632 ( -7.661 -8.737 -1.095) 11.671 5.769 ( 6.747 -5.168 2.530) 8.868 5.893 ( -16.430 5.842 -1.897) 17.541 6.180 ( 2.306 -0.862 7.873) 8.248 6.344 ( -1.755 14.730 -13.907) 20.333 6.424 ( 2.457 -1.069 -1.550) 3.095 6.736 ( -1.185 -5.601 -5.260) 7.774 6.949 ( -6.152 -4.305 1.878) 7.740 7.042 ( -1.408 4.537 0.840) 4.824 7.162 ( 14.098 -3.862 9.340) 17.346 7.207 ( 8.154 2.495 -0.014) 8.527 7.357 ( 17.132 -4.653 2.646) 17.949 7.413 ( 4.657 12.339 3.099) 13.548 7.577 ( -1.348 10.762 3.799) 11.492 7.721 ( 2.885 4.914 -6.701) 8.796 8.032 ( -7.558 2.751 -3.922) 8.948 8.264 ( -15.164 -0.706 -0.779) 15.200 8.401 ( -2.795 2.073 -3.237) 4.753 8.547 ( 5.739 -4.388 0.984) 7.291 8.664 ( 0.933 -0.485 -1.945) 2.211 8.773 ( -0.830 0.148 5.280) 5.347 8.799 ( -3.910 -3.181 0.348) 5.053 9.105 ( 0.266 5.980 5.132) 7.885 9.356 ( -6.121 2.004 -1.602) 6.637 9.444 ( -7.710 -2.552 -2.436) 8.479 9.651 ( -14.273 -7.745 -2.608) 16.447 10.155 ( -1.847 2.942 9.388) 10.010 10.192 ( 0.307 -2.722 -7.324) 7.820 10.939 ( 2.027 2.234 2.458) 3.891 11.256 ( -9.296 9.388 -4.057) 13.821 11.411 ( 11.845 -2.282 3.293) 12.504 12.027 ( -10.787 -2.244 -6.185) 12.635 12.368 ( -7.528 -13.145 8.147) 17.200 12.458 ( -13.664 -17.557 -1.489) 22.297 12.848 ( 2.530 -0.284 -1.490) 2.950 13.156 ( -8.738 -1.475 -5.432) 10.394 13.450 ( 3.042 4.223 4.740) 7.039 13.540 ( 0.620 3.528 -4.900) 6.070 13.966 ( 5.154 -3.370 3.574) 7.120 14.098 ( 2.165 2.341 3.101) 4.448 14.163 ( -1.422 -4.038 -7.887) 8.974 14.196 ( -3.789 -2.635 3.220) 5.627 16.225 ( 5.008 4.223 -0.410) 6.564 16.270 ( 3.107 3.003 0.551) 4.355 16.947 ( 3.998 2.913 4.508) 6.693 17.141 ( -3.169 0.085 -3.272) 4.556 17.735 ( 1.081 7.175 -0.730) 7.292 17.772 ( -0.798 4.731 1.111) 4.925 19.741 ( 1.397 -21.492 1.388) 21.582 19.864 ( -3.512 -23.454 -1.668) 23.774 21.607 ( 1.587 -1.839 0.074) 2.430 21.663 ( -0.566 -3.425 -0.221) 3.479 22.239 ( -3.166 0.236 0.033) 3.174 22.264 ( -4.475 -0.396 -0.028) 4.492 23.333 ( 4.882 -0.148 -8.034) 9.402 23.481 ( -6.200 -1.826 10.889) 12.662 24.691 ( 13.300 5.063 -16.734) 21.967 25.012 ( -6.618 1.848 16.819) 18.169 26.236 ( 10.593 6.044 -11.867) 17.017 26.564 ( -7.220 13.281 11.841) 19.202 26.742 ( 7.264 5.967 -0.807) 9.436 27.011 ( -4.975 4.847 -1.865) 7.192 ======================= Grid point 245 (112/117) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 6.339 5.030 11.321) 13.916 2.407 ( -4.578 3.691 -5.639) 8.148 2.848 ( 12.467 10.937 9.286) 19.007 2.942 ( 8.863 9.250 -2.497) 13.052 3.152 ( -3.002 -10.007 -4.523) 11.384 3.218 ( -7.144 -7.016 -2.562) 10.336 3.499 ( 6.797 -12.775 10.591) 17.932 3.724 ( -9.307 -7.974 -12.413) 17.444 4.215 ( 12.091 7.351 5.105) 15.043 4.467 ( -5.353 5.906 -6.312) 10.167 4.654 ( 14.038 14.142 -6.343) 20.912 4.934 ( -1.147 10.715 -0.844) 10.810 4.992 ( -3.351 3.906 10.866) 12.023 5.058 ( 1.450 1.733 2.651) 3.483 5.263 ( 7.412 1.857 7.634) 10.801 5.400 ( 8.958 -5.926 2.137) 10.951 5.567 ( -14.286 1.717 -12.745) 19.222 5.671 ( -17.072 -7.428 -0.677) 18.630 6.024 ( 11.741 11.103 -9.142) 18.566 6.065 ( 7.940 0.664 6.642) 10.373 6.257 ( -3.378 -2.994 -1.058) 4.637 6.312 ( -10.964 6.364 0.350) 12.682 6.781 ( -1.671 8.139 2.267) 8.612 6.863 ( 8.501 5.478 -5.308) 11.422 6.870 ( -9.010 12.347 -2.604) 15.505 7.049 ( -7.907 2.690 5.109) 9.791 7.293 ( 5.711 -1.294 10.390) 11.927 7.372 ( 7.138 -2.772 -1.618) 7.826 7.435 ( 0.483 4.577 7.804) 9.060 7.643 ( 4.098 2.662 -10.499) 11.581 7.804 ( 8.354 -6.350 -5.677) 11.930 7.952 ( 2.737 -2.546 0.351) 3.754 8.196 ( -10.026 -4.362 3.034) 11.347 8.266 ( -9.913 3.303 -3.177) 10.921 8.613 ( 1.451 6.733 -2.336) 7.273 8.652 ( -2.827 4.171 2.665) 5.701 8.760 ( 9.290 -1.028 4.269) 10.275 8.884 ( -0.830 -1.594 -2.141) 2.795 9.020 ( 6.225 1.180 0.615) 6.365 9.210 ( -10.557 0.414 -0.626) 10.583 9.513 ( 3.459 -7.768 -3.334) 9.133 9.679 ( -12.674 -11.329 3.207) 17.299 10.158 ( 3.739 0.488 6.213) 7.267 10.227 ( -0.290 -0.976 -5.124) 5.224 10.962 ( 2.113 -1.275 4.458) 5.096 11.070 ( -5.970 2.269 -5.225) 8.252 11.628 ( 16.601 -4.572 4.956) 17.919 11.950 ( -10.299 -3.683 -9.209) 14.299 12.527 ( -5.230 -10.477 8.412) 14.418 12.570 ( -8.288 -9.856 -2.646) 13.146 12.933 ( 5.182 -5.159 2.457) 7.714 13.098 ( -8.371 -4.083 -5.362) 10.747 13.422 ( 2.392 3.145 3.577) 5.330 13.471 ( -0.902 3.252 -3.894) 5.153 14.036 ( 4.492 2.159 -4.778) 6.904 14.060 ( -0.052 3.936 5.370) 6.658 14.213 ( 0.675 -5.608 -3.359) 6.571 14.252 ( -3.732 -6.389 3.622) 8.238 16.187 ( 3.635 5.568 0.007) 6.650 16.225 ( 0.074 4.573 0.200) 4.578 16.965 ( 5.240 1.323 3.436) 6.404 17.087 ( -5.071 0.307 -3.105) 5.954 17.661 ( 2.064 3.689 -0.717) 4.288 17.700 ( -1.854 2.715 0.776) 3.378 20.114 ( 2.571 -19.617 3.112) 20.028 20.192 ( -3.731 -20.405 -3.188) 20.986 21.663 ( 2.201 -2.298 -0.233) 3.190 21.706 ( -1.918 -2.999 0.227) 3.567 22.234 ( -0.072 -1.759 -0.867) 1.962 22.251 ( -2.094 -2.142 0.830) 3.108 23.377 ( 5.720 -0.676 -9.096) 10.766 23.467 ( -6.799 -2.017 11.012) 13.098 24.709 ( 13.587 5.558 -14.715) 20.785 24.908 ( -10.519 3.442 14.131) 17.949 26.173 ( 7.223 9.846 -10.985) 16.425 26.280 ( -6.418 14.026 9.974) 18.369 26.717 ( 7.648 6.275 0.435) 9.902 26.864 ( -6.255 5.520 -0.705) 8.372 ======================= Grid point 246 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -7.110 5.520 -8.958) 12.698 2.274 ( 7.110 5.520 8.958) 12.698 2.766 ( -5.197 10.839 -1.384) 12.100 2.766 ( 5.197 10.839 1.384) 12.100 3.168 ( -1.300 4.016 -7.799) 8.868 3.168 ( 1.300 4.016 7.799) 8.868 3.799 ( -0.895 -7.117 -16.328) 17.834 3.799 ( 0.895 -7.117 16.328) 17.834 4.305 ( -10.094 0.730 -10.782) 14.787 4.305 ( 10.094 0.730 10.782) 14.787 4.517 ( 1.854 14.320 -2.439) 14.644 4.517 ( -1.854 14.320 2.439) 14.644 5.018 ( -2.785 4.578 -14.236) 15.211 5.018 ( 2.785 4.578 14.236) 15.211 5.384 ( 0.397 2.215 -9.281) 9.550 5.384 ( -0.397 2.215 9.281) 9.550 5.614 ( 0.135 1.135 -5.539) 5.656 5.614 ( -0.135 1.135 5.539) 5.656 5.901 ( -11.423 0.579 -8.278) 14.119 5.901 ( 11.423 0.579 8.278) 14.119 6.383 ( 1.940 -7.135 -5.519) 9.227 6.383 ( -1.940 -7.135 5.519) 9.227 6.520 ( 1.977 13.518 -5.198) 14.618 6.520 ( -1.977 13.518 5.198) 14.618 6.963 ( 2.125 -1.279 -9.358) 9.681 6.963 ( -2.125 -1.279 9.358) 9.681 7.406 ( -9.610 9.057 -14.401) 19.539 7.406 ( 9.610 9.057 14.401) 19.539 7.495 ( -2.357 -10.316 -13.194) 16.913 7.495 ( 2.357 -10.316 13.194) 16.913 8.039 ( 0.250 -5.234 -3.523) 6.314 8.039 ( -0.250 -5.234 3.523) 6.314 8.134 ( 5.346 4.669 -6.724) 9.777 8.134 ( -5.346 4.669 6.724) 9.777 8.490 ( 2.172 6.916 -8.316) 11.032 8.490 ( -2.172 6.916 8.316) 11.032 8.859 ( -2.261 -1.499 -3.830) 4.693 8.859 ( 2.261 -1.499 3.830) 4.693 9.163 ( 0.003 -4.543 -6.956) 8.308 9.163 ( -0.003 -4.543 6.956) 8.308 9.765 ( 11.447 -12.706 -7.419) 18.642 9.765 ( -11.447 -12.706 7.419) 18.642 10.190 ( -1.748 1.762 -7.637) 8.031 10.190 ( 1.748 1.762 7.637) 8.031 11.029 ( -1.744 -2.869 -5.983) 6.861 11.029 ( 1.744 -2.869 5.983) 6.861 11.895 ( -13.247 -6.169 -8.314) 16.812 11.895 ( 13.247 -6.169 8.314) 16.812 12.624 ( -0.274 -3.267 -5.172) 6.124 12.624 ( 0.274 -3.267 5.172) 6.124 13.117 ( -3.657 -7.989 -8.817) 12.447 13.117 ( 3.657 -7.989 8.817) 12.447 13.411 ( -0.778 1.309 -3.562) 3.874 13.411 ( 0.778 1.309 3.562) 3.874 13.993 ( 1.863 4.386 -8.851) 10.052 13.993 ( -1.863 4.386 8.851) 10.052 14.327 ( 2.001 -5.625 -6.559) 8.869 14.327 ( -2.001 -5.625 6.559) 8.869 16.120 ( -1.798 6.103 -1.185) 6.471 16.120 ( 1.798 6.103 1.185) 6.471 17.025 ( -5.616 -0.562 -3.634) 6.712 17.025 ( 5.616 -0.562 3.634) 6.712 17.641 ( -2.390 1.788 -0.074) 2.986 17.641 ( 2.390 1.788 0.074) 2.986 20.440 ( -2.460 -14.289 -6.770) 16.002 20.440 ( 2.460 -14.289 6.770) 16.002 21.718 ( -2.053 -1.124 -0.055) 2.341 21.718 ( 2.053 -1.124 0.055) 2.341 22.291 ( -0.879 -4.238 -0.210) 4.333 22.291 ( 0.879 -4.238 0.210) 4.333 23.449 ( 7.391 -2.301 -11.070) 13.507 23.449 ( -7.391 -2.301 11.070) 13.507 24.738 ( 10.023 4.630 -15.025) 18.645 24.738 ( -10.023 4.630 15.025) 18.645 26.023 ( 3.611 12.134 -9.444) 15.794 26.023 ( -3.611 12.134 9.444) 15.794 26.697 ( -5.148 5.573 -3.996) 8.575 26.697 ( 5.148 5.573 3.996) 8.575 ======================= Grid point 254 (114/117) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 10.370 0.000 14.352) 17.706 2.143 ( 3.701 0.000 0.096) 3.702 2.654 ( -4.621 -0.000 16.139) 16.788 2.732 ( -5.276 -0.000 -7.833) 9.444 3.239 ( 7.990 0.000 -8.089) 11.370 3.361 ( 5.721 0.000 15.188) 16.230 3.473 ( 1.455 0.000 -4.554) 4.781 3.792 ( -9.690 -0.000 -9.635) 13.664 4.333 ( 19.277 0.000 7.633) 20.733 4.339 ( 21.746 0.000 -15.384) 26.637 4.933 ( 5.593 0.000 0.312) 5.602 4.946 ( 12.734 0.000 6.403) 14.253 5.074 ( -8.509 -0.000 -10.572) 13.571 5.219 ( 1.809 0.000 2.357) 2.971 5.337 ( 9.557 0.000 8.520) 12.803 5.423 ( -1.697 -0.000 -9.249) 9.404 5.518 ( -0.587 -0.000 4.137) 4.179 5.923 ( -3.344 -0.000 8.332) 8.978 6.048 ( -6.534 -0.000 -9.793) 11.773 6.179 ( 7.346 0.000 7.061) 10.190 6.241 ( -18.884 -0.000 -4.463) 19.404 6.527 ( -1.262 -0.000 -17.273) 17.319 6.679 ( -2.889 -0.000 12.209) 12.546 6.807 ( -0.264 -0.000 -3.451) 3.461 7.100 ( 25.894 0.000 -4.461) 26.275 7.131 ( 9.513 0.000 6.843) 11.718 7.161 ( 16.430 0.000 1.841) 16.533 7.302 ( 12.243 0.000 1.511) 12.336 7.628 ( -1.625 -0.000 6.739) 6.932 7.887 ( 1.243 0.000 0.985) 1.586 8.013 ( 2.679 0.000 0.321) 2.698 8.100 ( -11.314 -0.000 1.108) 11.368 8.226 ( -16.507 -0.000 4.948) 17.233 8.464 ( 6.488 0.000 -3.045) 7.167 8.464 ( 6.301 0.000 -2.979) 6.970 8.528 ( -5.446 -0.000 -13.907) 14.935 8.695 ( -3.161 -0.000 5.904) 6.697 8.880 ( -9.004 -0.000 0.027) 9.004 9.141 ( 2.600 0.000 15.909) 16.120 9.282 ( -8.122 -0.000 0.736) 8.155 9.350 ( -13.473 -0.000 -8.683) 16.029 9.637 ( -8.478 -0.000 -4.320) 9.515 10.054 ( 0.226 0.000 -8.303) 8.306 10.293 ( -15.545 -0.000 7.656) 17.328 11.081 ( 8.736 0.000 0.063) 8.736 11.358 ( 5.558 0.000 1.052) 5.657 11.706 ( -12.252 -0.000 -3.239) 12.673 11.742 ( -22.264 -0.000 5.515) 22.937 11.948 ( -2.879 -0.000 15.290) 15.559 12.197 ( -5.826 -0.000 -19.706) 20.549 12.867 ( 1.610 0.000 -2.984) 3.390 13.123 ( -8.939 -0.000 -2.234) 9.214 13.541 ( 2.712 0.000 6.040) 6.621 13.618 ( 1.715 0.000 -6.830) 7.042 13.892 ( 0.831 0.000 10.975) 11.006 13.992 ( -1.178 -0.000 -3.408) 3.606 14.167 ( 1.863 0.000 -0.721) 1.998 14.200 ( 0.116 0.000 -3.061) 3.063 16.301 ( 4.400 0.000 -0.128) 4.402 16.322 ( 3.941 0.000 -0.394) 3.960 17.016 ( 2.303 0.000 7.660) 7.999 17.138 ( -1.516 -0.000 -4.839) 5.071 17.932 ( -0.595 -0.000 1.081) 1.234 17.946 ( -0.575 -0.000 -0.927) 1.090 19.274 ( 1.419 0.000 1.189) 1.852 19.322 ( 0.203 0.000 -1.841) 1.852 21.582 ( 0.341 0.000 2.682) 2.704 21.593 ( 0.831 0.000 -2.896) 3.013 22.249 ( -6.897 -0.000 9.396) 11.656 22.259 ( -3.605 -0.000 -9.239) 9.918 23.331 ( 4.917 0.000 -8.642) 9.943 23.450 ( -5.067 -0.000 10.749) 11.883 24.783 ( 12.856 0.000 -19.854) 23.653 25.045 ( -5.435 -0.000 21.188) 21.873 26.346 ( 14.317 0.000 -12.265) 18.852 26.781 ( -1.978 -0.000 6.252) 6.558 26.890 ( -3.609 -0.000 8.797) 9.508 27.095 ( -4.857 -0.000 -5.809) 7.572 ======================= Grid point 255 (115/117) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 11.865 -11.197 10.198) 19.239 2.338 ( -4.493 -17.058 -1.077) 17.672 2.618 ( -1.570 -0.411 10.038) 10.168 2.685 ( -4.464 -2.569 -9.220) 10.561 3.287 ( 5.721 5.835 6.425) 10.395 3.378 ( 8.946 5.800 6.055) 12.261 3.417 ( 0.042 4.089 -4.575) 6.136 3.656 ( -11.252 1.177 -10.072) 15.147 4.461 ( 15.167 5.509 2.279) 16.297 4.639 ( 20.508 -5.546 -0.017) 21.245 4.777 ( -10.003 8.180 -9.025) 15.761 4.954 ( 0.914 0.403 -3.040) 3.200 5.153 ( 2.042 -5.240 0.903) 5.696 5.245 ( -2.525 -3.774 1.302) 4.724 5.283 ( 7.020 10.395 1.377) 12.619 5.446 ( 0.474 1.079 1.738) 2.100 5.636 ( 1.582 6.494 1.568) 6.865 5.770 ( -2.262 0.493 12.421) 12.634 5.883 ( -7.291 8.617 -10.757) 15.592 6.084 ( -14.268 -3.830 -2.500) 14.984 6.319 ( 5.508 -5.202 11.419) 13.703 6.487 ( -4.405 -4.185 -17.955) 18.956 6.708 ( -0.830 -1.492 6.764) 6.976 6.761 ( -3.222 -1.198 -5.047) 6.106 7.161 ( 6.421 6.233 2.804) 9.378 7.259 ( 1.803 4.589 3.586) 6.096 7.463 ( 29.991 0.005 -1.183) 30.014 7.489 ( 18.422 -1.689 -1.045) 18.529 7.597 ( 3.979 2.688 9.538) 10.678 7.784 ( -0.606 12.303 -0.064) 12.318 7.879 ( -7.015 8.761 -0.035) 11.224 7.982 ( -8.093 3.536 -7.578) 11.637 8.080 ( -8.101 -1.134 1.024) 8.244 8.371 ( -13.125 2.904 -1.626) 13.541 8.548 ( 7.510 -3.658 -2.161) 8.628 8.639 ( 5.310 -3.476 -5.058) 8.116 8.694 ( -4.269 -5.390 4.051) 7.980 8.762 ( -5.690 1.402 3.716) 6.938 9.193 ( 0.491 0.055 11.551) 11.561 9.264 ( -7.748 -4.454 -2.247) 9.215 9.296 ( 0.043 -3.949 -1.403) 4.191 9.485 ( -10.949 3.128 -7.238) 13.493 10.103 ( 2.418 -4.492 -7.625) 9.174 10.166 ( -7.281 0.599 7.555) 10.510 11.094 ( 8.981 8.314 1.411) 12.319 11.324 ( -12.165 12.579 -2.283) 17.647 11.486 ( 11.673 -4.842 1.260) 12.700 11.777 ( -16.326 -10.005 3.302) 19.431 12.088 ( -3.589 -13.258 12.153) 18.339 12.151 ( -3.211 -6.432 -15.786) 17.346 12.888 ( 4.669 0.412 -1.113) 4.818 13.035 ( -8.939 -0.765 -2.038) 9.200 13.549 ( 1.918 3.035 5.628) 6.676 13.590 ( 0.105 2.883 -5.713) 6.400 13.951 ( 2.814 -3.632 6.262) 7.767 14.024 ( -2.515 -5.560 -3.003) 6.801 14.166 ( 1.181 2.008 1.418) 2.728 14.186 ( -0.084 1.228 -2.912) 3.162 16.320 ( 2.959 2.158 0.239) 3.670 16.337 ( 1.610 1.799 -0.308) 2.433 17.035 ( 2.678 1.796 6.135) 6.931 17.108 ( -2.409 0.396 -5.049) 5.608 17.864 ( -0.012 6.734 0.491) 6.752 17.869 ( -0.313 6.839 -0.371) 6.856 19.435 ( 1.801 -16.016 1.420) 16.180 19.479 ( -1.768 -17.392 -1.681) 17.562 21.597 ( 0.921 -1.059 0.705) 1.571 21.613 ( -0.278 -1.900 -0.811) 2.084 22.210 ( -3.178 -0.136 5.200) 6.095 22.218 ( -2.010 -0.302 -5.155) 5.541 23.365 ( 4.898 -0.111 -9.546) 10.730 23.426 ( -4.871 -0.580 10.762) 11.828 24.854 ( 12.414 2.530 -19.391) 23.163 25.000 ( -8.529 1.626 20.000) 21.803 26.434 ( 13.878 4.611 -12.380) 19.161 26.658 ( -11.773 6.850 13.061) 18.871 26.885 ( 5.717 3.167 0.224) 6.540 27.012 ( -5.807 2.526 -2.564) 6.832 ======================= Grid point 256 (116/117) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -5.443 -0.001 -9.710) 11.132 2.397 ( 5.443 -0.001 9.710) 11.132 2.822 ( 1.910 -20.269 -5.540) 21.099 2.822 ( -1.910 -20.269 5.540) 21.099 3.199 ( -5.740 12.208 -9.881) 16.722 3.199 ( 5.740 12.208 9.881) 16.722 3.511 ( -11.343 -1.617 -8.988) 14.562 3.511 ( 11.343 -1.617 8.988) 14.562 4.479 ( -10.231 8.613 -7.581) 15.372 4.479 ( 10.231 8.613 7.581) 15.372 4.932 ( -6.610 -3.770 -5.464) 9.368 4.932 ( 6.610 -3.770 5.464) 9.368 5.167 ( -11.287 14.899 -4.294) 19.179 5.167 ( 11.287 14.899 4.294) 19.179 5.326 ( -9.816 -7.753 -3.912) 13.106 5.326 ( 9.816 -7.753 3.912) 13.106 5.528 ( -11.917 8.701 -12.842) 19.561 5.528 ( 11.917 8.701 12.842) 19.561 6.039 ( -11.819 -7.539 -3.940) 14.562 6.039 ( 11.819 -7.539 3.940) 14.562 6.400 ( -4.057 7.378 -11.129) 13.955 6.400 ( 4.057 7.378 11.129) 13.955 6.800 ( 3.004 -6.086 -12.584) 14.298 6.800 ( -3.004 -6.086 12.584) 14.298 7.069 ( 7.225 9.907 -5.633) 13.494 7.069 ( -7.225 9.907 5.633) 13.494 7.477 ( -1.126 12.989 -0.079) 13.037 7.477 ( 1.126 12.989 0.079) 13.037 7.657 ( -9.600 5.607 -15.447) 19.032 7.657 ( 9.600 5.607 15.447) 19.032 7.813 ( -11.727 -4.989 0.410) 12.751 7.813 ( 11.727 -4.989 -0.410) 12.751 8.176 ( -14.069 0.277 1.433) 14.144 8.176 ( 14.069 0.277 -1.433) 14.144 8.660 ( -0.507 -1.014 -0.917) 1.458 8.660 ( 0.507 -1.014 0.917) 1.458 8.792 ( 2.248 -5.895 -6.362) 8.960 8.792 ( -2.248 -5.895 6.362) 8.960 9.171 ( 0.072 6.510 -13.567) 15.048 9.171 ( -0.072 6.510 13.567) 15.048 9.420 ( -5.816 -7.370 0.320) 9.394 9.420 ( 5.816 -7.370 -0.320) 9.394 10.172 ( 0.683 -2.897 -9.887) 10.326 10.172 ( -0.683 -2.897 9.887) 10.326 11.058 ( -7.550 5.996 -4.661) 10.709 11.058 ( 7.550 5.996 4.661) 10.709 11.725 ( -11.435 -4.932 -8.584) 15.125 11.725 ( 11.435 -4.932 8.584) 15.125 12.306 ( 2.173 -13.873 -14.026) 19.847 12.306 ( -2.173 -13.873 14.026) 19.847 12.959 ( -7.736 -1.301 -2.023) 8.102 12.959 ( 7.736 -1.301 2.023) 8.102 13.513 ( -1.220 4.018 -4.937) 6.481 13.513 ( 1.220 4.018 4.937) 6.481 14.078 ( -4.418 -3.969 -2.717) 6.531 14.078 ( 4.418 -3.969 2.717) 6.531 14.150 ( 0.094 0.198 -5.101) 5.105 14.150 ( -0.094 0.198 5.101) 5.105 16.292 ( -0.293 3.800 -1.002) 3.941 16.292 ( 0.293 3.800 1.002) 3.941 17.049 ( -3.905 1.627 -4.553) 6.215 17.049 ( 3.905 1.627 4.553) 6.215 17.755 ( 0.877 5.799 -0.713) 5.908 17.755 ( -0.877 5.799 0.713) 5.908 19.792 ( -1.800 -22.049 -3.428) 22.386 19.792 ( 1.800 -22.049 3.428) 22.386 21.641 ( -0.031 -2.548 -2.078) 3.288 21.641 ( 0.031 -2.548 2.078) 3.288 22.211 ( 1.143 -0.982 -6.624) 6.794 22.211 ( -1.143 -0.982 6.624) 6.794 23.404 ( 5.286 -0.680 -10.510) 11.784 23.404 ( -5.286 -0.680 10.510) 11.784 24.887 ( 10.686 3.766 -19.164) 22.263 24.887 ( -10.686 3.766 19.164) 22.263 26.416 ( 10.727 10.081 -11.684) 18.794 26.416 ( -10.727 10.081 11.684) 18.794 26.884 ( -6.219 4.803 -0.769) 7.895 26.884 ( 6.219 4.803 0.769) 7.895 ======================= Grid point 267 (117/117) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -4.400 -0.000 -7.770) 8.929 2.127 ( 4.400 0.000 7.770) 8.929 2.630 ( 1.238 0.000 -15.157) 15.208 2.630 ( -1.238 -0.000 15.157) 15.208 3.391 ( -6.524 -0.000 -5.770) 8.710 3.391 ( 6.524 0.000 5.770) 8.710 3.557 ( -8.352 -0.000 -10.736) 13.602 3.557 ( 8.352 0.000 10.736) 13.602 4.731 ( 3.059 0.000 -3.598) 4.722 4.731 ( -3.059 -0.000 3.598) 4.722 4.760 ( 0.883 0.000 -14.904) 14.930 4.760 ( -0.883 -0.000 14.904) 14.930 5.168 ( -6.160 -0.000 0.648) 6.194 5.168 ( 6.160 0.000 -0.648) 6.194 5.478 ( 5.471 0.000 -9.817) 11.239 5.478 ( -5.471 -0.000 9.817) 11.239 5.732 ( -12.327 -0.000 1.290) 12.395 5.732 ( 12.327 0.000 -1.290) 12.395 5.941 ( 4.844 0.000 -6.286) 7.935 5.941 ( -4.844 -0.000 6.286) 7.935 6.331 ( -3.743 -0.000 -19.716) 20.068 6.331 ( 3.743 0.000 19.716) 20.068 6.714 ( -5.357 -0.000 -4.815) 7.203 6.714 ( 5.357 0.000 4.815) 7.203 7.307 ( 3.601 0.000 -1.705) 3.985 7.307 ( -3.601 -0.000 1.705) 3.985 7.605 ( 5.285 0.000 -4.307) 6.818 7.605 ( -5.285 -0.000 4.307) 6.818 7.768 ( -18.096 -0.000 -11.794) 21.600 7.768 ( 18.096 0.000 11.794) 21.600 7.902 ( -7.138 -0.000 1.661) 7.329 7.902 ( 7.138 0.000 -1.661) 7.329 8.203 ( -18.138 -0.000 -1.406) 18.192 8.203 ( 18.138 0.000 1.406) 18.192 8.591 ( 7.982 0.000 -3.408) 8.680 8.591 ( -7.982 -0.000 3.408) 8.680 8.691 ( 10.840 0.000 -4.611) 11.780 8.691 ( -10.840 -0.000 4.611) 11.780 9.160 ( 2.054 0.000 -1.845) 2.762 9.160 ( -2.054 -0.000 1.845) 2.762 9.383 ( -11.172 -0.000 -10.913) 15.618 9.383 ( 11.172 0.000 10.913) 15.618 10.099 ( 7.054 0.000 -9.622) 11.931 10.099 ( -7.054 -0.000 9.622) 11.931 11.347 ( -16.905 -0.000 1.471) 16.969 11.347 ( 16.905 0.000 -1.471) 16.969 11.496 ( -7.930 -0.000 -0.062) 7.930 11.496 ( 7.930 0.000 0.062) 7.930 12.022 ( -3.169 -0.000 -20.473) 20.717 12.022 ( 3.169 0.000 20.473) 20.717 12.948 ( -6.732 -0.000 0.076) 6.732 12.948 ( 6.732 0.000 -0.076) 6.732 13.602 ( -0.787 -0.000 -6.660) 6.706 13.602 ( 0.787 0.000 6.660) 6.706 13.947 ( -0.851 -0.000 -8.761) 8.803 13.947 ( 0.851 0.000 8.761) 8.803 14.193 ( -0.284 -0.000 -1.887) 1.908 14.193 ( 0.284 0.000 1.887) 1.908 16.357 ( -0.535 -0.000 -0.816) 0.976 16.357 ( 0.535 0.000 0.816) 0.976 17.082 ( -1.717 -0.000 -6.567) 6.788 17.082 ( 1.717 0.000 6.567) 6.788 17.933 ( -0.209 -0.000 -1.178) 1.197 17.933 ( 0.209 0.000 1.178) 1.197 19.306 ( -0.926 -0.000 -2.055) 2.254 19.306 ( 0.926 0.000 2.055) 2.254 21.594 ( 0.240 0.000 -2.760) 2.770 21.594 ( -0.240 -0.000 2.760) 2.770 22.198 ( 1.283 0.000 -8.826) 8.919 22.198 ( -1.283 -0.000 8.826) 8.919 23.394 ( 4.624 0.000 -10.386) 11.369 23.394 ( -4.624 -0.000 10.386) 11.369 24.955 ( 10.672 0.000 -20.854) 23.426 24.955 ( -10.672 -0.000 20.854) 23.426 26.601 ( 14.569 0.000 -13.259) 19.699 26.601 ( -14.569 -0.000 13.259) 19.699 26.970 ( -5.697 -0.000 -1.611) 5.921 26.970 ( 5.697 0.000 1.611) 5.921 =================== 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 3/31200 10.0 106.420 132.918 145.524 -0.000 6.602 0.000 3/31200 20.0 45.108 34.757 41.332 -0.000 -0.003 0.000 3/31200 30.0 25.509 19.198 21.548 -0.000 -0.701 0.000 3/31200 40.0 17.198 12.979 14.007 -0.000 -0.432 0.000 3/31200 50.0 12.804 9.667 10.197 -0.000 -0.215 0.000 3/31200 60.0 10.180 7.670 7.985 -0.000 -0.089 0.000 3/31200 70.0 8.469 6.360 6.572 -0.000 -0.018 0.000 3/31200 80.0 7.276 5.442 5.604 -0.000 0.022 0.000 3/31200 90.0 6.397 4.765 4.901 -0.000 0.044 0.000 3/31200 100.0 5.723 4.247 4.369 -0.000 0.056 0.000 3/31200 110.0 5.189 3.838 3.951 -0.000 0.063 0.000 3/31200 120.0 4.754 3.506 3.613 -0.000 0.065 0.000 3/31200 130.0 4.392 3.232 3.334 -0.000 0.066 0.000 3/31200 140.0 4.087 3.002 3.100 -0.000 0.065 0.000 3/31200 150.0 3.825 2.806 2.900 -0.000 0.063 0.000 3/31200 160.0 3.599 2.638 2.727 -0.000 0.060 0.000 3/31200 170.0 3.401 2.491 2.576 -0.000 0.057 0.000 3/31200 180.0 3.226 2.362 2.443 -0.000 0.054 0.000 3/31200 190.0 3.070 2.248 2.325 -0.000 0.051 0.000 3/31200 200.0 2.931 2.145 2.219 -0.000 0.047 0.000 3/31200 210.0 2.806 2.054 2.124 -0.000 0.044 0.000 3/31200 220.0 2.693 1.970 2.038 -0.000 0.041 0.000 3/31200 230.0 2.590 1.895 1.960 -0.000 0.037 0.000 3/31200 240.0 2.495 1.826 1.888 -0.000 0.034 0.000 3/31200 250.0 2.409 1.762 1.822 -0.000 0.031 0.000 3/31200 260.0 2.329 1.703 1.761 -0.000 0.028 0.000 3/31200 270.0 2.255 1.649 1.704 -0.000 0.026 0.000 3/31200 280.0 2.186 1.598 1.652 -0.000 0.023 0.000 3/31200 290.0 2.121 1.550 1.603 -0.000 0.021 0.000 3/31200 300.0 2.061 1.506 1.557 -0.000 0.019 0.000 3/31200 310.0 2.005 1.464 1.514 -0.000 0.016 0.000 3/31200 320.0 1.952 1.425 1.473 -0.000 0.014 0.000 3/31200 330.0 1.902 1.388 1.435 -0.000 0.013 0.000 3/31200 340.0 1.854 1.352 1.399 -0.000 0.011 0.000 3/31200 350.0 1.809 1.319 1.364 -0.000 0.009 0.000 3/31200 360.0 1.767 1.287 1.332 -0.000 0.008 0.000 3/31200 370.0 1.726 1.257 1.301 -0.000 0.007 0.000 3/31200 380.0 1.687 1.228 1.271 -0.000 0.005 0.000 3/31200 390.0 1.650 1.201 1.243 -0.000 0.004 0.000 3/31200 400.0 1.615 1.175 1.216 -0.000 0.003 0.000 3/31200 410.0 1.582 1.150 1.190 -0.000 0.002 0.000 3/31200 420.0 1.549 1.126 1.166 -0.000 0.001 0.000 3/31200 430.0 1.518 1.103 1.142 -0.000 0.001 0.000 3/31200 440.0 1.488 1.081 1.119 -0.000 -0.000 0.000 3/31200 450.0 1.460 1.060 1.098 -0.000 -0.001 0.000 3/31200 460.0 1.432 1.039 1.077 -0.000 -0.002 0.000 3/31200 470.0 1.406 1.019 1.057 -0.000 -0.002 0.000 3/31200 480.0 1.380 1.001 1.037 -0.000 -0.003 0.000 3/31200 490.0 1.356 0.982 1.018 -0.000 -0.003 0.000 3/31200 500.0 1.332 0.965 1.000 -0.000 -0.004 0.000 3/31200 510.0 1.309 0.948 0.983 -0.000 -0.004 0.000 3/31200 520.0 1.287 0.931 0.966 -0.000 -0.005 0.000 3/31200 530.0 1.265 0.916 0.950 -0.000 -0.005 0.000 3/31200 540.0 1.245 0.900 0.934 -0.000 -0.005 0.000 3/31200 550.0 1.225 0.885 0.919 -0.000 -0.006 0.000 3/31200 560.0 1.205 0.871 0.904 -0.000 -0.006 0.000 3/31200 570.0 1.186 0.857 0.890 -0.000 -0.006 0.000 3/31200 580.0 1.168 0.844 0.876 -0.000 -0.006 0.000 3/31200 590.0 1.150 0.831 0.862 -0.000 -0.007 0.000 3/31200 600.0 1.133 0.818 0.849 -0.000 -0.007 0.000 3/31200 610.0 1.116 0.806 0.837 -0.000 -0.007 0.000 3/31200 620.0 1.100 0.794 0.824 -0.000 -0.007 0.000 3/31200 630.0 1.084 0.782 0.812 -0.000 -0.007 0.000 3/31200 640.0 1.069 0.771 0.801 -0.000 -0.007 0.000 3/31200 650.0 1.054 0.760 0.789 -0.000 -0.007 0.000 3/31200 660.0 1.039 0.749 0.778 -0.000 -0.008 0.000 3/31200 670.0 1.025 0.739 0.768 -0.000 -0.008 0.000 3/31200 680.0 1.011 0.729 0.757 -0.000 -0.008 0.000 3/31200 690.0 0.998 0.719 0.747 -0.000 -0.008 0.000 3/31200 700.0 0.985 0.709 0.737 -0.000 -0.008 0.000 3/31200 710.0 0.972 0.700 0.728 -0.000 -0.008 0.000 3/31200 720.0 0.960 0.691 0.718 -0.000 -0.008 0.000 3/31200 730.0 0.948 0.682 0.709 -0.000 -0.008 0.000 3/31200 740.0 0.936 0.673 0.700 -0.000 -0.008 0.000 3/31200 750.0 0.924 0.665 0.691 -0.000 -0.008 0.000 3/31200 760.0 0.913 0.657 0.683 -0.000 -0.008 0.000 3/31200 770.0 0.902 0.649 0.675 -0.000 -0.008 0.000 3/31200 780.0 0.891 0.641 0.667 -0.000 -0.008 0.000 3/31200 790.0 0.881 0.633 0.659 -0.000 -0.008 0.000 3/31200 800.0 0.870 0.626 0.651 -0.000 -0.008 0.000 3/31200 810.0 0.860 0.618 0.643 -0.000 -0.008 0.000 3/31200 820.0 0.851 0.611 0.636 -0.000 -0.008 0.000 3/31200 830.0 0.841 0.604 0.629 -0.000 -0.008 0.000 3/31200 840.0 0.832 0.597 0.622 -0.000 -0.008 0.000 3/31200 850.0 0.822 0.591 0.615 -0.000 -0.008 0.000 3/31200 860.0 0.814 0.584 0.608 -0.000 -0.008 0.000 3/31200 870.0 0.805 0.578 0.601 -0.000 -0.008 0.000 3/31200 880.0 0.796 0.572 0.595 -0.000 -0.008 0.000 3/31200 890.0 0.788 0.565 0.589 -0.000 -0.008 0.000 3/31200 900.0 0.779 0.559 0.582 -0.000 -0.008 0.000 3/31200 910.0 0.771 0.554 0.576 -0.000 -0.008 0.000 3/31200 920.0 0.763 0.548 0.570 -0.000 -0.008 0.000 3/31200 930.0 0.756 0.542 0.565 -0.000 -0.008 0.000 3/31200 940.0 0.748 0.537 0.559 -0.000 -0.008 0.000 3/31200 950.0 0.741 0.531 0.553 -0.000 -0.008 0.000 3/31200 960.0 0.733 0.526 0.548 -0.000 -0.008 0.000 3/31200 970.0 0.726 0.521 0.542 -0.000 -0.008 0.000 3/31200 980.0 0.719 0.516 0.537 -0.000 -0.008 0.000 3/31200 990.0 0.712 0.511 0.532 -0.000 -0.008 0.000 3/31200 1000.0 0.705 0.506 0.527 -0.000 -0.008 0.000 3/31200 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:26:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|