----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:17:04]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.035187750004953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.652095580000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): *1 F 0.78260368929179 0.04866795141898 0.45551251201639 18.998 2 F 0.21739631070821 0.54866795141898 0.04448748798361 18.998 3 F 0.21739631070821 0.95133204858102 0.54448748798361 18.998 4 F 0.78260368929179 0.45133204858102 0.95551251201639 18.998 *5 F 0.79034964644078 0.95186403949740 0.91786938136265 18.998 6 F 0.20965035355922 0.45186403949740 0.58213061863735 18.998 7 F 0.20965035355922 0.04813596050260 0.08213061863735 18.998 8 F 0.79034964644078 0.54813596050260 0.41786938136265 18.998 *9 F 0.98094270872404 0.26859037707705 0.85996124474272 18.998 10 F 0.01905729127596 0.76859037707705 0.64003875525728 18.998 11 F 0.01905729127596 0.73140962292295 0.14003875525727 18.998 12 F 0.98094270872404 0.23140962292295 0.35996124474273 18.998 *13 F 0.47485060323677 0.25998974568257 0.05421433916697 18.998 14 F 0.52514939676323 0.75998974568257 0.44578566083303 18.998 15 F 0.52514939676323 0.74001025431743 0.94578566083303 18.998 16 F 0.47485060323677 0.24001025431743 0.55421433916697 18.998 *17 F 0.75610309903659 0.95413447506874 0.67152890966078 18.998 18 F 0.24389690096341 0.45413447506874 0.82847109033922 18.998 19 F 0.24389690096341 0.04586552493126 0.32847109033923 18.998 20 F 0.75610309903659 0.54586552493126 0.17152890966077 18.998 *21 F 0.22977065641182 0.97596529385463 0.85971809116428 18.998 22 F 0.77022934358818 0.47596529385463 0.64028190883572 18.998 23 F 0.77022934358818 0.02403470614537 0.14028190883572 18.998 24 F 0.22977065641182 0.52403470614537 0.35971809116428 18.998 *25 F 0.53293858268064 0.91326922811019 0.23306130521084 18.998 26 F 0.46706141731936 0.41326922811019 0.26693869478916 18.998 27 F 0.46706141731936 0.08673077188981 0.76693869478916 18.998 28 F 0.53293858268064 0.58673077188981 0.73306130521084 18.998 *29 Sn 0.77236411392730 0.75548124011231 0.54252380438364 118.710 30 Sn 0.22763588607270 0.25548124011231 0.95747619561636 118.710 31 Sn 0.22763588607270 0.24451875988769 0.45747619561636 118.710 32 Sn 0.77236411392730 0.74451875988769 0.04252380438364 118.710 *33 Sm 0.68751378193922 0.24178110213247 0.26533344703203 150.360 34 Sm 0.31248621806078 0.74178110213247 0.23466655296797 150.360 35 Sm 0.31248621806078 0.75821889786753 0.73466655296797 150.360 36 Sm 0.68751378193922 0.25821889786753 0.76533344703203 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.035187750004953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.652095580000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): *1 F 0.78260368929179 0.04866795141898 0.45551251201639 18.998 > 1 2 F 0.21739631070821 0.54866795141898 0.04448748798361 18.998 > 2 3 F 0.21739631070821 0.95133204858102 0.54448748798361 18.998 > 3 4 F 0.78260368929179 0.45133204858102 0.95551251201639 18.998 > 4 *5 F 0.79034964644078 0.95186403949740 0.91786938136265 18.998 > 5 6 F 0.20965035355922 0.45186403949740 0.58213061863735 18.998 > 6 7 F 0.20965035355922 0.04813596050260 0.08213061863735 18.998 > 7 8 F 0.79034964644078 0.54813596050260 0.41786938136265 18.998 > 8 *9 F 0.98094270872404 0.26859037707705 0.85996124474272 18.998 > 9 10 F 0.01905729127596 0.76859037707705 0.64003875525728 18.998 > 10 11 F 0.01905729127596 0.73140962292295 0.14003875525727 18.998 > 11 12 F 0.98094270872404 0.23140962292295 0.35996124474273 18.998 > 12 *13 F 0.47485060323677 0.25998974568257 0.05421433916697 18.998 > 13 14 F 0.52514939676323 0.75998974568257 0.44578566083303 18.998 > 14 15 F 0.52514939676323 0.74001025431743 0.94578566083303 18.998 > 15 16 F 0.47485060323677 0.24001025431743 0.55421433916697 18.998 > 16 *17 F 0.75610309903659 0.95413447506874 0.67152890966078 18.998 > 17 18 F 0.24389690096341 0.45413447506874 0.82847109033922 18.998 > 18 19 F 0.24389690096341 0.04586552493126 0.32847109033923 18.998 > 19 20 F 0.75610309903659 0.54586552493126 0.17152890966077 18.998 > 20 *21 F 0.22977065641182 0.97596529385463 0.85971809116428 18.998 > 21 22 F 0.77022934358818 0.47596529385463 0.64028190883572 18.998 > 22 23 F 0.77022934358818 0.02403470614537 0.14028190883572 18.998 > 23 24 F 0.22977065641182 0.52403470614537 0.35971809116428 18.998 > 24 *25 F 0.53293858268064 0.91326922811019 0.23306130521084 18.998 > 25 26 F 0.46706141731936 0.41326922811019 0.26693869478916 18.998 > 26 27 F 0.46706141731936 0.08673077188981 0.76693869478916 18.998 > 27 28 F 0.53293858268064 0.58673077188981 0.73306130521084 18.998 > 28 *29 Sn 0.77236411392730 0.75548124011231 0.54252380438364 118.710 > 29 30 Sn 0.22763588607270 0.25548124011231 0.95747619561636 118.710 > 30 31 Sn 0.22763588607270 0.24451875988769 0.45747619561636 118.710 > 31 32 Sn 0.77236411392730 0.74451875988769 0.04252380438364 118.710 > 32 *33 Sm 0.68751378193922 0.24178110213247 0.26533344703203 150.360 > 33 34 Sm 0.31248621806078 0.74178110213247 0.23466655296797 150.360 > 34 35 Sm 0.31248621806078 0.75821889786753 0.73466655296797 150.360 > 35 36 Sm 0.68751378193922 0.25821889786753 0.76533344703203 150.360 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.070375500009906 0.000000000000000 0.000000000000000 b 0.000000000000000 11.304191160000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): *1 F 0.39130184464590 0.02433397570949 0.45551251201639 18.998 > 1 2 F 0.89130184464590 0.02433397570949 0.45551251201639 18.998 > 1 3 F 0.39130184464590 0.52433397570949 0.45551251201639 18.998 > 1 4 F 0.89130184464590 0.52433397570949 0.45551251201639 18.998 > 1 5 F 0.10869815535410 0.27433397570949 0.04448748798361 18.998 > 2 6 F 0.60869815535410 0.27433397570949 0.04448748798361 18.998 > 2 7 F 0.10869815535410 0.77433397570949 0.04448748798361 18.998 > 2 8 F 0.60869815535410 0.77433397570949 0.04448748798361 18.998 > 2 9 F 0.10869815535410 0.47566602429051 0.54448748798361 18.998 > 3 10 F 0.60869815535410 0.47566602429051 0.54448748798361 18.998 > 3 11 F 0.10869815535410 0.97566602429051 0.54448748798361 18.998 > 3 12 F 0.60869815535410 0.97566602429051 0.54448748798361 18.998 > 3 13 F 0.39130184464590 0.22566602429051 0.95551251201639 18.998 > 4 14 F 0.89130184464590 0.22566602429051 0.95551251201639 18.998 > 4 15 F 0.39130184464590 0.72566602429051 0.95551251201639 18.998 > 4 16 F 0.89130184464590 0.72566602429051 0.95551251201639 18.998 > 4 *17 F 0.39517482322039 0.47593201974870 0.91786938136265 18.998 > 5 18 F 0.89517482322039 0.47593201974870 0.91786938136265 18.998 > 5 19 F 0.39517482322039 0.97593201974870 0.91786938136265 18.998 > 5 20 F 0.89517482322039 0.97593201974870 0.91786938136265 18.998 > 5 21 F 0.10482517677961 0.22593201974870 0.58213061863735 18.998 > 6 22 F 0.60482517677961 0.22593201974870 0.58213061863735 18.998 > 6 23 F 0.10482517677961 0.72593201974870 0.58213061863735 18.998 > 6 24 F 0.60482517677961 0.72593201974870 0.58213061863735 18.998 > 6 25 F 0.10482517677961 0.02406798025130 0.08213061863735 18.998 > 7 26 F 0.60482517677961 0.02406798025130 0.08213061863735 18.998 > 7 27 F 0.10482517677961 0.52406798025130 0.08213061863735 18.998 > 7 28 F 0.60482517677961 0.52406798025130 0.08213061863735 18.998 > 7 29 F 0.39517482322039 0.27406798025130 0.41786938136265 18.998 > 8 30 F 0.89517482322039 0.27406798025130 0.41786938136265 18.998 > 8 31 F 0.39517482322039 0.77406798025130 0.41786938136265 18.998 > 8 32 F 0.89517482322039 0.77406798025130 0.41786938136265 18.998 > 8 *33 F 0.49047135436202 0.13429518853853 0.85996124474272 18.998 > 9 34 F 0.99047135436202 0.13429518853853 0.85996124474272 18.998 > 9 35 F 0.49047135436202 0.63429518853853 0.85996124474272 18.998 > 9 36 F 0.99047135436202 0.63429518853853 0.85996124474272 18.998 > 9 37 F 0.00952864563798 0.38429518853853 0.64003875525728 18.998 > 10 38 F 0.50952864563798 0.38429518853853 0.64003875525728 18.998 > 10 39 F 0.00952864563798 0.88429518853853 0.64003875525728 18.998 > 10 40 F 0.50952864563798 0.88429518853853 0.64003875525728 18.998 > 10 41 F 0.00952864563798 0.36570481146147 0.14003875525727 18.998 > 11 42 F 0.50952864563798 0.36570481146147 0.14003875525727 18.998 > 11 43 F 0.00952864563798 0.86570481146147 0.14003875525727 18.998 > 11 44 F 0.50952864563798 0.86570481146147 0.14003875525727 18.998 > 11 45 F 0.49047135436202 0.11570481146147 0.35996124474273 18.998 > 12 46 F 0.99047135436202 0.11570481146147 0.35996124474273 18.998 > 12 47 F 0.49047135436202 0.61570481146147 0.35996124474273 18.998 > 12 48 F 0.99047135436202 0.61570481146147 0.35996124474273 18.998 > 12 *49 F 0.23742530161838 0.12999487284128 0.05421433916697 18.998 > 13 50 F 0.73742530161838 0.12999487284128 0.05421433916697 18.998 > 13 51 F 0.23742530161838 0.62999487284128 0.05421433916697 18.998 > 13 52 F 0.73742530161838 0.62999487284128 0.05421433916697 18.998 > 13 53 F 0.26257469838161 0.37999487284128 0.44578566083303 18.998 > 14 54 F 0.76257469838161 0.37999487284128 0.44578566083303 18.998 > 14 55 F 0.26257469838161 0.87999487284128 0.44578566083303 18.998 > 14 56 F 0.76257469838161 0.87999487284128 0.44578566083303 18.998 > 14 57 F 0.26257469838161 0.37000512715872 0.94578566083303 18.998 > 15 58 F 0.76257469838161 0.37000512715872 0.94578566083303 18.998 > 15 59 F 0.26257469838161 0.87000512715872 0.94578566083303 18.998 > 15 60 F 0.76257469838161 0.87000512715872 0.94578566083303 18.998 > 15 61 F 0.23742530161838 0.12000512715872 0.55421433916697 18.998 > 16 62 F 0.73742530161838 0.12000512715872 0.55421433916697 18.998 > 16 63 F 0.23742530161838 0.62000512715872 0.55421433916697 18.998 > 16 64 F 0.73742530161838 0.62000512715872 0.55421433916697 18.998 > 16 *65 F 0.37805154951830 0.47706723753437 0.67152890966078 18.998 > 17 66 F 0.87805154951830 0.47706723753437 0.67152890966078 18.998 > 17 67 F 0.37805154951830 0.97706723753437 0.67152890966078 18.998 > 17 68 F 0.87805154951830 0.97706723753437 0.67152890966078 18.998 > 17 69 F 0.12194845048170 0.22706723753437 0.82847109033922 18.998 > 18 70 F 0.62194845048170 0.22706723753437 0.82847109033922 18.998 > 18 71 F 0.12194845048170 0.72706723753437 0.82847109033922 18.998 > 18 72 F 0.62194845048170 0.72706723753437 0.82847109033922 18.998 > 18 73 F 0.12194845048170 0.02293276246563 0.32847109033923 18.998 > 19 74 F 0.62194845048170 0.02293276246563 0.32847109033923 18.998 > 19 75 F 0.12194845048170 0.52293276246563 0.32847109033923 18.998 > 19 76 F 0.62194845048170 0.52293276246563 0.32847109033923 18.998 > 19 77 F 0.37805154951830 0.27293276246563 0.17152890966077 18.998 > 20 78 F 0.87805154951830 0.27293276246563 0.17152890966077 18.998 > 20 79 F 0.37805154951830 0.77293276246563 0.17152890966077 18.998 > 20 80 F 0.87805154951830 0.77293276246563 0.17152890966077 18.998 > 20 *81 F 0.11488532820591 0.48798264692732 0.85971809116428 18.998 > 21 82 F 0.61488532820591 0.48798264692732 0.85971809116428 18.998 > 21 83 F 0.11488532820591 0.98798264692731 0.85971809116428 18.998 > 21 84 F 0.61488532820591 0.98798264692731 0.85971809116428 18.998 > 21 85 F 0.38511467179409 0.23798264692731 0.64028190883572 18.998 > 22 86 F 0.88511467179409 0.23798264692731 0.64028190883572 18.998 > 22 87 F 0.38511467179409 0.73798264692731 0.64028190883572 18.998 > 22 88 F 0.88511467179409 0.73798264692731 0.64028190883572 18.998 > 22 89 F 0.38511467179409 0.01201735307269 0.14028190883572 18.998 > 23 90 F 0.88511467179409 0.01201735307269 0.14028190883572 18.998 > 23 91 F 0.38511467179409 0.51201735307269 0.14028190883572 18.998 > 23 92 F 0.88511467179409 0.51201735307269 0.14028190883572 18.998 > 23 93 F 0.11488532820591 0.26201735307268 0.35971809116428 18.998 > 24 94 F 0.61488532820591 0.26201735307268 0.35971809116428 18.998 > 24 95 F 0.11488532820591 0.76201735307269 0.35971809116428 18.998 > 24 96 F 0.61488532820591 0.76201735307269 0.35971809116428 18.998 > 24 *97 F 0.26646929134032 0.45663461405510 0.23306130521084 18.998 > 25 98 F 0.76646929134032 0.45663461405510 0.23306130521084 18.998 > 25 99 F 0.26646929134032 0.95663461405510 0.23306130521084 18.998 > 25 100 F 0.76646929134032 0.95663461405510 0.23306130521084 18.998 > 25 101 F 0.23353070865968 0.20663461405510 0.26693869478916 18.998 > 26 102 F 0.73353070865968 0.20663461405510 0.26693869478916 18.998 > 26 103 F 0.23353070865968 0.70663461405510 0.26693869478916 18.998 > 26 104 F 0.73353070865968 0.70663461405510 0.26693869478916 18.998 > 26 105 F 0.23353070865968 0.04336538594490 0.76693869478916 18.998 > 27 106 F 0.73353070865968 0.04336538594490 0.76693869478916 18.998 > 27 107 F 0.23353070865968 0.54336538594490 0.76693869478916 18.998 > 27 108 F 0.73353070865968 0.54336538594490 0.76693869478916 18.998 > 27 109 F 0.26646929134032 0.29336538594490 0.73306130521084 18.998 > 28 110 F 0.76646929134032 0.29336538594490 0.73306130521084 18.998 > 28 111 F 0.26646929134032 0.79336538594490 0.73306130521084 18.998 > 28 112 F 0.76646929134032 0.79336538594490 0.73306130521084 18.998 > 28 *113 Sn 0.38618205696365 0.37774062005616 0.54252380438364 118.710 > 29 114 Sn 0.88618205696365 0.37774062005616 0.54252380438364 118.710 > 29 115 Sn 0.38618205696365 0.87774062005616 0.54252380438364 118.710 > 29 116 Sn 0.88618205696365 0.87774062005616 0.54252380438364 118.710 > 29 117 Sn 0.11381794303635 0.12774062005616 0.95747619561636 118.710 > 30 118 Sn 0.61381794303635 0.12774062005616 0.95747619561636 118.710 > 30 119 Sn 0.11381794303635 0.62774062005616 0.95747619561636 118.710 > 30 120 Sn 0.61381794303635 0.62774062005616 0.95747619561636 118.710 > 30 121 Sn 0.11381794303635 0.12225937994384 0.45747619561636 118.710 > 31 122 Sn 0.61381794303635 0.12225937994384 0.45747619561636 118.710 > 31 123 Sn 0.11381794303635 0.62225937994384 0.45747619561636 118.710 > 31 124 Sn 0.61381794303635 0.62225937994384 0.45747619561636 118.710 > 31 125 Sn 0.38618205696365 0.37225937994384 0.04252380438364 118.710 > 32 126 Sn 0.88618205696365 0.37225937994384 0.04252380438364 118.710 > 32 127 Sn 0.38618205696365 0.87225937994384 0.04252380438364 118.710 > 32 128 Sn 0.88618205696365 0.87225937994384 0.04252380438364 118.710 > 32 *129 Sm 0.34375689096961 0.12089055106623 0.26533344703203 150.360 > 33 130 Sm 0.84375689096961 0.12089055106623 0.26533344703203 150.360 > 33 131 Sm 0.34375689096961 0.62089055106623 0.26533344703203 150.360 > 33 132 Sm 0.84375689096961 0.62089055106623 0.26533344703203 150.360 > 33 133 Sm 0.15624310903039 0.37089055106623 0.23466655296797 150.360 > 34 134 Sm 0.65624310903039 0.37089055106623 0.23466655296797 150.360 > 34 135 Sm 0.15624310903039 0.87089055106623 0.23466655296797 150.360 > 34 136 Sm 0.65624310903039 0.87089055106623 0.23466655296797 150.360 > 34 137 Sm 0.15624310903039 0.37910944893377 0.73466655296797 150.360 > 35 138 Sm 0.65624310903039 0.37910944893377 0.73466655296797 150.360 > 35 139 Sm 0.15624310903039 0.87910944893377 0.73466655296797 150.360 > 35 140 Sm 0.65624310903039 0.87910944893377 0.73466655296797 150.360 > 35 141 Sm 0.34375689096961 0.12910944893377 0.76533344703203 150.360 > 36 142 Sm 0.84375689096961 0.12910944893377 0.76533344703203 150.360 > 36 143 Sm 0.34375689096961 0.62910944893377 0.76533344703203 150.360 > 36 144 Sm 0.84375689096961 0.62910944893377 0.76533344703203 150.360 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3097011 0.0000000 0.0108713 0.0000000 2.2999351 0.0000000 0.0108715 0.0000000 2.2993528 -------------------------- Born effective charges -------------------------- 1 F -0.7052115 -0.1804223 0.1377516 -0.1836222 -1.2513255 0.5858399 0.1348120 0.5734106 -1.3115293 2 F -0.7052115 0.1804223 0.1377516 0.1836222 -1.2513255 -0.5858399 0.1348120 -0.5734106 -1.3115293 3 F -0.7052115 -0.1804223 0.1377516 -0.1836222 -1.2513255 0.5858399 0.1348120 0.5734106 -1.3115293 4 F -0.7052115 0.1804223 0.1377516 0.1836222 -1.2513255 -0.5858399 0.1348120 -0.5734106 -1.3115293 5 F -0.7383155 -0.1665194 0.1541780 -0.1837416 -1.2341044 0.5765670 0.1451704 0.5665544 -1.2538816 6 F -0.7383155 0.1665194 0.1541780 0.1837416 -1.2341044 -0.5765670 0.1451704 -0.5665544 -1.2538816 7 F -0.7383155 -0.1665194 0.1541780 -0.1837416 -1.2341044 0.5765670 0.1451704 0.5665544 -1.2538816 8 F -0.7383155 0.1665194 0.1541780 0.1837416 -1.2341044 -0.5765670 0.1451704 -0.5665544 -1.2538816 9 F -1.8303053 0.0198074 -0.6368292 -0.0055791 -0.6493120 0.0104167 -0.6207735 -0.0017298 -1.0071285 10 F -1.8303053 -0.0198074 -0.6368292 0.0055791 -0.6493120 -0.0104167 -0.6207735 0.0017298 -1.0071285 11 F -1.8303053 0.0198074 -0.6368292 -0.0055791 -0.6493120 0.0104167 -0.6207735 -0.0017298 -1.0071285 12 F -1.8303053 -0.0198074 -0.6368292 0.0055791 -0.6493120 -0.0104167 -0.6207735 0.0017298 -1.0071285 13 F -1.0401529 -0.0090389 -0.4135703 0.0278355 -0.6643115 0.0366358 -0.4349324 0.0053869 -1.3538067 14 F -1.0401529 0.0090389 -0.4135703 -0.0278355 -0.6643115 -0.0366358 -0.4349324 -0.0053869 -1.3538067 15 F -1.0401529 -0.0090389 -0.4135703 0.0278355 -0.6643115 0.0366358 -0.4349324 0.0053869 -1.3538067 16 F -1.0401529 0.0090389 -0.4135703 -0.0278355 -0.6643115 -0.0366358 -0.4349324 -0.0053869 -1.3538067 17 F -1.0062232 0.4683493 0.4021625 0.4601614 -1.3012776 -0.5302329 0.3942343 -0.5244955 -1.1362485 18 F -1.0062232 -0.4683493 0.4021625 -0.4601614 -1.3012776 0.5302329 0.3942343 0.5244955 -1.1362485 19 F -1.0062232 0.4683493 0.4021625 0.4601614 -1.3012776 -0.5302329 0.3942343 -0.5244955 -1.1362485 20 F -1.0062232 -0.4683493 0.4021625 -0.4601614 -1.3012776 0.5302329 0.3942343 0.5244955 -1.1362485 21 F -0.9929839 0.4327197 0.3742095 0.4260781 -1.2766063 -0.5210414 0.3527406 -0.4925951 -1.0860423 22 F -0.9929839 -0.4327197 0.3742095 -0.4260781 -1.2766063 0.5210414 0.3527406 0.4925951 -1.0860423 23 F -0.9929839 0.4327197 0.3742095 0.4260781 -1.2766063 -0.5210414 0.3527406 -0.4925951 -1.0860423 24 F -0.9929839 -0.4327197 0.3742095 -0.4260781 -1.2766063 0.5210414 0.3527406 0.4925951 -1.0860423 25 F -1.5249893 -0.7140931 -0.0840447 -0.7689817 -1.4474313 -0.0613297 -0.0419586 -0.0269272 -0.7162377 26 F -1.5249893 0.7140931 -0.0840447 0.7689817 -1.4474313 0.0613297 -0.0419586 0.0269272 -0.7162377 27 F -1.5249893 -0.7140931 -0.0840447 -0.7689817 -1.4474313 -0.0613297 -0.0419586 -0.0269272 -0.7162377 28 F -1.5249893 0.7140931 -0.0840447 0.7689817 -1.4474313 0.0613297 -0.0419586 0.0269272 -0.7162377 29 Sn 3.7840399 0.0672372 -0.0235640 -0.0707447 3.8237872 0.1018838 0.0467982 -0.1261224 3.9607201 30 Sn 3.7840399 -0.0672372 -0.0235640 0.0707447 3.8237872 -0.1018838 0.0467982 0.1261224 3.9607201 31 Sn 3.7840399 0.0672372 -0.0235640 -0.0707447 3.8237872 0.1018838 0.0467982 -0.1261224 3.9607201 32 Sn 3.7840399 -0.0672372 -0.0235640 0.0707447 3.8237872 -0.1018838 0.0467982 0.1261224 3.9607201 33 Sm 4.0541417 0.1578428 0.0897067 -0.0786775 4.0005813 0.0476796 0.0239090 0.0165238 3.9041547 34 Sm 4.0541417 -0.1578428 0.0897067 0.0786775 4.0005813 -0.0476796 0.0239090 -0.0165238 3.9041547 35 Sm 4.0541417 0.1578428 0.0897067 -0.0786775 4.0005813 0.0476796 0.0239090 0.0165238 3.9041547 36 Sm 4.0541417 -0.1578428 0.0897067 0.0786775 4.0005813 -0.0476796 0.0239090 -0.0165238 3.9041547 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.243 Solver_block: 200 / 1120 - Time: 2.129 Solver_block: 300 / 1120 - Time: 2.124 Solver_block: 400 / 1120 - Time: 2.125 Solver_block: 500 / 1120 - Time: 2.127 Solver_block: 600 / 1120 - Time: 2.125 Solver_block: 700 / 1120 - Time: 2.125 Solver_block: 800 / 1120 - Time: 2.128 Solver_block: 900 / 1120 - Time: 2.125 Solver_block: 1000 / 1120 - Time: 2.127 Solver_block: 1100 / 1120 - Time: 2.125 Solver_block: 1120 / 1120 - Time: 0.569 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.721 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 03:18:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:18:38]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.035187750004953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.652095580000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): 1 F 0.78260368929179 0.04866795141898 0.45551251201639 18.998 2 F 0.21739631070821 0.54866795141898 0.04448748798361 18.998 3 F 0.21739631070821 0.95133204858102 0.54448748798361 18.998 4 F 0.78260368929179 0.45133204858102 0.95551251201639 18.998 5 F 0.79034964644078 0.95186403949740 0.91786938136265 18.998 6 F 0.20965035355922 0.45186403949740 0.58213061863735 18.998 7 F 0.20965035355922 0.04813596050260 0.08213061863735 18.998 8 F 0.79034964644078 0.54813596050260 0.41786938136265 18.998 9 F 0.98094270872404 0.26859037707705 0.85996124474272 18.998 10 F 0.01905729127596 0.76859037707705 0.64003875525728 18.998 11 F 0.01905729127596 0.73140962292295 0.14003875525727 18.998 12 F 0.98094270872404 0.23140962292295 0.35996124474273 18.998 13 F 0.47485060323677 0.25998974568257 0.05421433916697 18.998 14 F 0.52514939676323 0.75998974568257 0.44578566083303 18.998 15 F 0.52514939676323 0.74001025431743 0.94578566083303 18.998 16 F 0.47485060323677 0.24001025431743 0.55421433916697 18.998 17 F 0.75610309903659 0.95413447506874 0.67152890966078 18.998 18 F 0.24389690096341 0.45413447506874 0.82847109033922 18.998 19 F 0.24389690096341 0.04586552493126 0.32847109033923 18.998 20 F 0.75610309903659 0.54586552493126 0.17152890966077 18.998 21 F 0.22977065641182 0.97596529385463 0.85971809116428 18.998 22 F 0.77022934358818 0.47596529385463 0.64028190883572 18.998 23 F 0.77022934358818 0.02403470614537 0.14028190883572 18.998 24 F 0.22977065641182 0.52403470614537 0.35971809116428 18.998 25 F 0.53293858268064 0.91326922811019 0.23306130521084 18.998 26 F 0.46706141731936 0.41326922811019 0.26693869478916 18.998 27 F 0.46706141731936 0.08673077188981 0.76693869478916 18.998 28 F 0.53293858268064 0.58673077188981 0.73306130521084 18.998 29 Sn 0.77236411392730 0.75548124011231 0.54252380438364 118.710 30 Sn 0.22763588607270 0.25548124011231 0.95747619561636 118.710 31 Sn 0.22763588607270 0.24451875988769 0.45747619561636 118.710 32 Sn 0.77236411392730 0.74451875988769 0.04252380438364 118.710 33 Sm 0.68751378193922 0.24178110213247 0.26533344703203 150.360 34 Sm 0.31248621806078 0.74178110213247 0.23466655296797 150.360 35 Sm 0.31248621806078 0.75821889786753 0.73466655296797 150.360 36 Sm 0.68751378193922 0.25821889786753 0.76533344703203 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.070375500009906 0.000000000000000 0.000000000000000 b 0.000000000000000 11.304191160000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): 1 F 0.39130184464590 0.02433397570949 0.45551251201639 18.998 > 1 2 F 0.89130184464590 0.02433397570949 0.45551251201639 18.998 > 1 3 F 0.39130184464590 0.52433397570949 0.45551251201639 18.998 > 1 4 F 0.89130184464590 0.52433397570949 0.45551251201639 18.998 > 1 5 F 0.10869815535410 0.27433397570949 0.04448748798361 18.998 > 5 6 F 0.60869815535410 0.27433397570949 0.04448748798361 18.998 > 5 7 F 0.10869815535410 0.77433397570949 0.04448748798361 18.998 > 5 8 F 0.60869815535410 0.77433397570949 0.04448748798361 18.998 > 5 9 F 0.10869815535410 0.47566602429051 0.54448748798361 18.998 > 9 10 F 0.60869815535410 0.47566602429051 0.54448748798361 18.998 > 9 11 F 0.10869815535410 0.97566602429051 0.54448748798361 18.998 > 9 12 F 0.60869815535410 0.97566602429051 0.54448748798361 18.998 > 9 13 F 0.39130184464590 0.22566602429051 0.95551251201639 18.998 > 13 14 F 0.89130184464590 0.22566602429051 0.95551251201639 18.998 > 13 15 F 0.39130184464590 0.72566602429051 0.95551251201639 18.998 > 13 16 F 0.89130184464590 0.72566602429051 0.95551251201639 18.998 > 13 17 F 0.39517482322039 0.47593201974870 0.91786938136265 18.998 > 17 18 F 0.89517482322039 0.47593201974870 0.91786938136265 18.998 > 17 19 F 0.39517482322039 0.97593201974870 0.91786938136265 18.998 > 17 20 F 0.89517482322039 0.97593201974870 0.91786938136265 18.998 > 17 21 F 0.10482517677961 0.22593201974870 0.58213061863735 18.998 > 21 22 F 0.60482517677961 0.22593201974870 0.58213061863735 18.998 > 21 23 F 0.10482517677961 0.72593201974870 0.58213061863735 18.998 > 21 24 F 0.60482517677961 0.72593201974870 0.58213061863735 18.998 > 21 25 F 0.10482517677961 0.02406798025130 0.08213061863735 18.998 > 25 26 F 0.60482517677961 0.02406798025130 0.08213061863735 18.998 > 25 27 F 0.10482517677961 0.52406798025130 0.08213061863735 18.998 > 25 28 F 0.60482517677961 0.52406798025130 0.08213061863735 18.998 > 25 29 F 0.39517482322039 0.27406798025130 0.41786938136265 18.998 > 29 30 F 0.89517482322039 0.27406798025130 0.41786938136265 18.998 > 29 31 F 0.39517482322039 0.77406798025130 0.41786938136265 18.998 > 29 32 F 0.89517482322039 0.77406798025130 0.41786938136265 18.998 > 29 33 F 0.49047135436202 0.13429518853853 0.85996124474272 18.998 > 33 34 F 0.99047135436202 0.13429518853853 0.85996124474272 18.998 > 33 35 F 0.49047135436202 0.63429518853853 0.85996124474272 18.998 > 33 36 F 0.99047135436202 0.63429518853853 0.85996124474272 18.998 > 33 37 F 0.00952864563798 0.38429518853853 0.64003875525728 18.998 > 37 38 F 0.50952864563798 0.38429518853853 0.64003875525728 18.998 > 37 39 F 0.00952864563798 0.88429518853853 0.64003875525728 18.998 > 37 40 F 0.50952864563798 0.88429518853853 0.64003875525728 18.998 > 37 41 F 0.00952864563798 0.36570481146147 0.14003875525727 18.998 > 41 42 F 0.50952864563798 0.36570481146147 0.14003875525727 18.998 > 41 43 F 0.00952864563798 0.86570481146147 0.14003875525727 18.998 > 41 44 F 0.50952864563798 0.86570481146147 0.14003875525727 18.998 > 41 45 F 0.49047135436202 0.11570481146147 0.35996124474273 18.998 > 45 46 F 0.99047135436202 0.11570481146147 0.35996124474273 18.998 > 45 47 F 0.49047135436202 0.61570481146147 0.35996124474273 18.998 > 45 48 F 0.99047135436202 0.61570481146147 0.35996124474273 18.998 > 45 49 F 0.23742530161838 0.12999487284128 0.05421433916697 18.998 > 49 50 F 0.73742530161838 0.12999487284128 0.05421433916697 18.998 > 49 51 F 0.23742530161838 0.62999487284128 0.05421433916697 18.998 > 49 52 F 0.73742530161838 0.62999487284128 0.05421433916697 18.998 > 49 53 F 0.26257469838161 0.37999487284128 0.44578566083303 18.998 > 53 54 F 0.76257469838161 0.37999487284128 0.44578566083303 18.998 > 53 55 F 0.26257469838161 0.87999487284128 0.44578566083303 18.998 > 53 56 F 0.76257469838161 0.87999487284128 0.44578566083303 18.998 > 53 57 F 0.26257469838161 0.37000512715872 0.94578566083303 18.998 > 57 58 F 0.76257469838161 0.37000512715872 0.94578566083303 18.998 > 57 59 F 0.26257469838161 0.87000512715872 0.94578566083303 18.998 > 57 60 F 0.76257469838161 0.87000512715872 0.94578566083303 18.998 > 57 61 F 0.23742530161838 0.12000512715872 0.55421433916697 18.998 > 61 62 F 0.73742530161838 0.12000512715872 0.55421433916697 18.998 > 61 63 F 0.23742530161838 0.62000512715872 0.55421433916697 18.998 > 61 64 F 0.73742530161838 0.62000512715872 0.55421433916697 18.998 > 61 65 F 0.37805154951830 0.47706723753437 0.67152890966078 18.998 > 65 66 F 0.87805154951830 0.47706723753437 0.67152890966078 18.998 > 65 67 F 0.37805154951830 0.97706723753437 0.67152890966078 18.998 > 65 68 F 0.87805154951830 0.97706723753437 0.67152890966078 18.998 > 65 69 F 0.12194845048170 0.22706723753437 0.82847109033922 18.998 > 69 70 F 0.62194845048170 0.22706723753437 0.82847109033922 18.998 > 69 71 F 0.12194845048170 0.72706723753437 0.82847109033922 18.998 > 69 72 F 0.62194845048170 0.72706723753437 0.82847109033922 18.998 > 69 73 F 0.12194845048170 0.02293276246563 0.32847109033923 18.998 > 73 74 F 0.62194845048170 0.02293276246563 0.32847109033923 18.998 > 73 75 F 0.12194845048170 0.52293276246563 0.32847109033923 18.998 > 73 76 F 0.62194845048170 0.52293276246563 0.32847109033923 18.998 > 73 77 F 0.37805154951830 0.27293276246563 0.17152890966077 18.998 > 77 78 F 0.87805154951830 0.27293276246563 0.17152890966077 18.998 > 77 79 F 0.37805154951830 0.77293276246563 0.17152890966077 18.998 > 77 80 F 0.87805154951830 0.77293276246563 0.17152890966077 18.998 > 77 81 F 0.11488532820591 0.48798264692732 0.85971809116428 18.998 > 81 82 F 0.61488532820591 0.48798264692732 0.85971809116428 18.998 > 81 83 F 0.11488532820591 0.98798264692731 0.85971809116428 18.998 > 81 84 F 0.61488532820591 0.98798264692731 0.85971809116428 18.998 > 81 85 F 0.38511467179409 0.23798264692731 0.64028190883572 18.998 > 85 86 F 0.88511467179409 0.23798264692731 0.64028190883572 18.998 > 85 87 F 0.38511467179409 0.73798264692731 0.64028190883572 18.998 > 85 88 F 0.88511467179409 0.73798264692731 0.64028190883572 18.998 > 85 89 F 0.38511467179409 0.01201735307269 0.14028190883572 18.998 > 89 90 F 0.88511467179409 0.01201735307269 0.14028190883572 18.998 > 89 91 F 0.38511467179409 0.51201735307269 0.14028190883572 18.998 > 89 92 F 0.88511467179409 0.51201735307269 0.14028190883572 18.998 > 89 93 F 0.11488532820591 0.26201735307268 0.35971809116428 18.998 > 93 94 F 0.61488532820591 0.26201735307268 0.35971809116428 18.998 > 93 95 F 0.11488532820591 0.76201735307269 0.35971809116428 18.998 > 93 96 F 0.61488532820591 0.76201735307269 0.35971809116428 18.998 > 93 97 F 0.26646929134032 0.45663461405510 0.23306130521084 18.998 > 97 98 F 0.76646929134032 0.45663461405510 0.23306130521084 18.998 > 97 99 F 0.26646929134032 0.95663461405510 0.23306130521084 18.998 > 97 100 F 0.76646929134032 0.95663461405510 0.23306130521084 18.998 > 97 101 F 0.23353070865968 0.20663461405510 0.26693869478916 18.998 > 101 102 F 0.73353070865968 0.20663461405510 0.26693869478916 18.998 > 101 103 F 0.23353070865968 0.70663461405510 0.26693869478916 18.998 > 101 104 F 0.73353070865968 0.70663461405510 0.26693869478916 18.998 > 101 105 F 0.23353070865968 0.04336538594490 0.76693869478916 18.998 > 105 106 F 0.73353070865968 0.04336538594490 0.76693869478916 18.998 > 105 107 F 0.23353070865968 0.54336538594490 0.76693869478916 18.998 > 105 108 F 0.73353070865968 0.54336538594490 0.76693869478916 18.998 > 105 109 F 0.26646929134032 0.29336538594490 0.73306130521084 18.998 > 109 110 F 0.76646929134032 0.29336538594490 0.73306130521084 18.998 > 109 111 F 0.26646929134032 0.79336538594490 0.73306130521084 18.998 > 109 112 F 0.76646929134032 0.79336538594490 0.73306130521084 18.998 > 109 113 Sn 0.38618205696365 0.37774062005616 0.54252380438364 118.710 > 113 114 Sn 0.88618205696365 0.37774062005616 0.54252380438364 118.710 > 113 115 Sn 0.38618205696365 0.87774062005616 0.54252380438364 118.710 > 113 116 Sn 0.88618205696365 0.87774062005616 0.54252380438364 118.710 > 113 117 Sn 0.11381794303635 0.12774062005616 0.95747619561636 118.710 > 117 118 Sn 0.61381794303635 0.12774062005616 0.95747619561636 118.710 > 117 119 Sn 0.11381794303635 0.62774062005616 0.95747619561636 118.710 > 117 120 Sn 0.61381794303635 0.62774062005616 0.95747619561636 118.710 > 117 121 Sn 0.11381794303635 0.12225937994384 0.45747619561636 118.710 > 121 122 Sn 0.61381794303635 0.12225937994384 0.45747619561636 118.710 > 121 123 Sn 0.11381794303635 0.62225937994384 0.45747619561636 118.710 > 121 124 Sn 0.61381794303635 0.62225937994384 0.45747619561636 118.710 > 121 125 Sn 0.38618205696365 0.37225937994384 0.04252380438364 118.710 > 125 126 Sn 0.88618205696365 0.37225937994384 0.04252380438364 118.710 > 125 127 Sn 0.38618205696365 0.87225937994384 0.04252380438364 118.710 > 125 128 Sn 0.88618205696365 0.87225937994384 0.04252380438364 118.710 > 125 129 Sm 0.34375689096961 0.12089055106623 0.26533344703203 150.360 > 129 130 Sm 0.84375689096961 0.12089055106623 0.26533344703203 150.360 > 129 131 Sm 0.34375689096961 0.62089055106623 0.26533344703203 150.360 > 129 132 Sm 0.84375689096961 0.62089055106623 0.26533344703203 150.360 > 129 133 Sm 0.15624310903039 0.37089055106623 0.23466655296797 150.360 > 133 134 Sm 0.65624310903039 0.37089055106623 0.23466655296797 150.360 > 133 135 Sm 0.15624310903039 0.87089055106623 0.23466655296797 150.360 > 133 136 Sm 0.65624310903039 0.87089055106623 0.23466655296797 150.360 > 133 137 Sm 0.15624310903039 0.37910944893377 0.73466655296797 150.360 > 137 138 Sm 0.65624310903039 0.37910944893377 0.73466655296797 150.360 > 137 139 Sm 0.15624310903039 0.87910944893377 0.73466655296797 150.360 > 137 140 Sm 0.65624310903039 0.87910944893377 0.73466655296797 150.360 > 137 141 Sm 0.34375689096961 0.12910944893377 0.76533344703203 150.360 > 141 142 Sm 0.84375689096961 0.12910944893377 0.76533344703203 150.360 > 141 143 Sm 0.34375689096961 0.62910944893377 0.76533344703203 150.360 > 141 144 Sm 0.84375689096961 0.62910944893377 0.76533344703203 150.360 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3097011 0.0000000 0.0108713 0.0000000 2.2999351 0.0000000 0.0108715 0.0000000 2.2993528 -------------------------- Born effective charges -------------------------- 1 F -0.7052115 -0.1804223 0.1377516 -0.1836222 -1.2513255 0.5858399 0.1348120 0.5734106 -1.3115293 2 F -0.7052115 0.1804223 0.1377516 0.1836222 -1.2513255 -0.5858399 0.1348120 -0.5734106 -1.3115293 3 F -0.7052115 -0.1804223 0.1377516 -0.1836222 -1.2513255 0.5858399 0.1348120 0.5734106 -1.3115293 4 F -0.7052115 0.1804223 0.1377516 0.1836222 -1.2513255 -0.5858399 0.1348120 -0.5734106 -1.3115293 5 F -0.7383155 -0.1665194 0.1541780 -0.1837416 -1.2341044 0.5765670 0.1451704 0.5665544 -1.2538816 6 F -0.7383155 0.1665194 0.1541780 0.1837416 -1.2341044 -0.5765670 0.1451704 -0.5665544 -1.2538816 7 F -0.7383155 -0.1665194 0.1541780 -0.1837416 -1.2341044 0.5765670 0.1451704 0.5665544 -1.2538816 8 F -0.7383155 0.1665194 0.1541780 0.1837416 -1.2341044 -0.5765670 0.1451704 -0.5665544 -1.2538816 9 F -1.8303053 0.0198074 -0.6368292 -0.0055791 -0.6493120 0.0104167 -0.6207735 -0.0017298 -1.0071285 10 F -1.8303053 -0.0198074 -0.6368292 0.0055791 -0.6493120 -0.0104167 -0.6207735 0.0017298 -1.0071285 11 F -1.8303053 0.0198074 -0.6368292 -0.0055791 -0.6493120 0.0104167 -0.6207735 -0.0017298 -1.0071285 12 F -1.8303053 -0.0198074 -0.6368292 0.0055791 -0.6493120 -0.0104167 -0.6207735 0.0017298 -1.0071285 13 F -1.0401529 -0.0090389 -0.4135703 0.0278355 -0.6643115 0.0366358 -0.4349324 0.0053869 -1.3538067 14 F -1.0401529 0.0090389 -0.4135703 -0.0278355 -0.6643115 -0.0366358 -0.4349324 -0.0053869 -1.3538067 15 F -1.0401529 -0.0090389 -0.4135703 0.0278355 -0.6643115 0.0366358 -0.4349324 0.0053869 -1.3538067 16 F -1.0401529 0.0090389 -0.4135703 -0.0278355 -0.6643115 -0.0366358 -0.4349324 -0.0053869 -1.3538067 17 F -1.0062232 0.4683493 0.4021625 0.4601614 -1.3012776 -0.5302329 0.3942343 -0.5244955 -1.1362485 18 F -1.0062232 -0.4683493 0.4021625 -0.4601614 -1.3012776 0.5302329 0.3942343 0.5244955 -1.1362485 19 F -1.0062232 0.4683493 0.4021625 0.4601614 -1.3012776 -0.5302329 0.3942343 -0.5244955 -1.1362485 20 F -1.0062232 -0.4683493 0.4021625 -0.4601614 -1.3012776 0.5302329 0.3942343 0.5244955 -1.1362485 21 F -0.9929839 0.4327197 0.3742095 0.4260781 -1.2766063 -0.5210414 0.3527406 -0.4925951 -1.0860423 22 F -0.9929839 -0.4327197 0.3742095 -0.4260781 -1.2766063 0.5210414 0.3527406 0.4925951 -1.0860423 23 F -0.9929839 0.4327197 0.3742095 0.4260781 -1.2766063 -0.5210414 0.3527406 -0.4925951 -1.0860423 24 F -0.9929839 -0.4327197 0.3742095 -0.4260781 -1.2766063 0.5210414 0.3527406 0.4925951 -1.0860423 25 F -1.5249893 -0.7140931 -0.0840447 -0.7689817 -1.4474313 -0.0613297 -0.0419586 -0.0269272 -0.7162377 26 F -1.5249893 0.7140931 -0.0840447 0.7689817 -1.4474313 0.0613297 -0.0419586 0.0269272 -0.7162377 27 F -1.5249893 -0.7140931 -0.0840447 -0.7689817 -1.4474313 -0.0613297 -0.0419586 -0.0269272 -0.7162377 28 F -1.5249893 0.7140931 -0.0840447 0.7689817 -1.4474313 0.0613297 -0.0419586 0.0269272 -0.7162377 29 Sn 3.7840399 0.0672372 -0.0235640 -0.0707447 3.8237872 0.1018838 0.0467982 -0.1261224 3.9607201 30 Sn 3.7840399 -0.0672372 -0.0235640 0.0707447 3.8237872 -0.1018838 0.0467982 0.1261224 3.9607201 31 Sn 3.7840399 0.0672372 -0.0235640 -0.0707447 3.8237872 0.1018838 0.0467982 -0.1261224 3.9607201 32 Sn 3.7840399 -0.0672372 -0.0235640 0.0707447 3.8237872 -0.1018838 0.0467982 0.1261224 3.9607201 33 Sm 4.0541417 0.1578428 0.0897067 -0.0786775 4.0005813 0.0476796 0.0239090 0.0165238 3.9041547 34 Sm 4.0541417 -0.1578428 0.0897067 0.0786775 4.0005813 -0.0476796 0.0239090 -0.0165238 3.9041547 35 Sm 4.0541417 0.1578428 0.0897067 -0.0786775 4.0005813 0.0476796 0.0239090 0.0165238 3.9041547 36 Sm 4.0541417 -0.1578428 0.0897067 0.0786775 4.0005813 -0.0476796 0.0239090 -0.0165238 3.9041547 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 65, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 81, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 97, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 113, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 129, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:19:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:19:46]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.035187750004953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.652095580000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): 1 F 0.78260368929179 0.04866795141898 0.45551251201639 18.998 2 F 0.21739631070821 0.54866795141898 0.04448748798361 18.998 3 F 0.21739631070821 0.95133204858102 0.54448748798361 18.998 4 F 0.78260368929179 0.45133204858102 0.95551251201639 18.998 5 F 0.79034964644078 0.95186403949740 0.91786938136265 18.998 6 F 0.20965035355922 0.45186403949740 0.58213061863735 18.998 7 F 0.20965035355922 0.04813596050260 0.08213061863735 18.998 8 F 0.79034964644078 0.54813596050260 0.41786938136265 18.998 9 F 0.98094270872404 0.26859037707705 0.85996124474272 18.998 10 F 0.01905729127596 0.76859037707705 0.64003875525728 18.998 11 F 0.01905729127596 0.73140962292295 0.14003875525727 18.998 12 F 0.98094270872404 0.23140962292295 0.35996124474273 18.998 13 F 0.47485060323677 0.25998974568257 0.05421433916697 18.998 14 F 0.52514939676323 0.75998974568257 0.44578566083303 18.998 15 F 0.52514939676323 0.74001025431743 0.94578566083303 18.998 16 F 0.47485060323677 0.24001025431743 0.55421433916697 18.998 17 F 0.75610309903659 0.95413447506874 0.67152890966078 18.998 18 F 0.24389690096341 0.45413447506874 0.82847109033922 18.998 19 F 0.24389690096341 0.04586552493126 0.32847109033923 18.998 20 F 0.75610309903659 0.54586552493126 0.17152890966077 18.998 21 F 0.22977065641182 0.97596529385463 0.85971809116428 18.998 22 F 0.77022934358818 0.47596529385463 0.64028190883572 18.998 23 F 0.77022934358818 0.02403470614537 0.14028190883572 18.998 24 F 0.22977065641182 0.52403470614537 0.35971809116428 18.998 25 F 0.53293858268064 0.91326922811019 0.23306130521084 18.998 26 F 0.46706141731936 0.41326922811019 0.26693869478916 18.998 27 F 0.46706141731936 0.08673077188981 0.76693869478916 18.998 28 F 0.53293858268064 0.58673077188981 0.73306130521084 18.998 29 Sn 0.77236411392730 0.75548124011231 0.54252380438364 118.710 30 Sn 0.22763588607270 0.25548124011231 0.95747619561636 118.710 31 Sn 0.22763588607270 0.24451875988769 0.45747619561636 118.710 32 Sn 0.77236411392730 0.74451875988769 0.04252380438364 118.710 33 Sm 0.68751378193922 0.24178110213247 0.26533344703203 150.360 34 Sm 0.31248621806078 0.74178110213247 0.23466655296797 150.360 35 Sm 0.31248621806078 0.75821889786753 0.73466655296797 150.360 36 Sm 0.68751378193922 0.25821889786753 0.76533344703203 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.070375500009906 0.000000000000000 0.000000000000000 b 0.000000000000000 11.304191160000000 0.000000000000000 c -5.683885978349099 0.000000000000000 10.736834531134168 Atomic positions (fractional): 1 F 0.39130184464590 0.02433397570949 0.45551251201639 18.998 > 1 2 F 0.89130184464590 0.02433397570949 0.45551251201639 18.998 > 1 3 F 0.39130184464590 0.52433397570949 0.45551251201639 18.998 > 1 4 F 0.89130184464590 0.52433397570949 0.45551251201639 18.998 > 1 5 F 0.10869815535410 0.27433397570949 0.04448748798361 18.998 > 5 6 F 0.60869815535410 0.27433397570949 0.04448748798361 18.998 > 5 7 F 0.10869815535410 0.77433397570949 0.04448748798361 18.998 > 5 8 F 0.60869815535410 0.77433397570949 0.04448748798361 18.998 > 5 9 F 0.10869815535410 0.47566602429051 0.54448748798361 18.998 > 9 10 F 0.60869815535410 0.47566602429051 0.54448748798361 18.998 > 9 11 F 0.10869815535410 0.97566602429051 0.54448748798361 18.998 > 9 12 F 0.60869815535410 0.97566602429051 0.54448748798361 18.998 > 9 13 F 0.39130184464590 0.22566602429051 0.95551251201639 18.998 > 13 14 F 0.89130184464590 0.22566602429051 0.95551251201639 18.998 > 13 15 F 0.39130184464590 0.72566602429051 0.95551251201639 18.998 > 13 16 F 0.89130184464590 0.72566602429051 0.95551251201639 18.998 > 13 17 F 0.39517482322039 0.47593201974870 0.91786938136265 18.998 > 17 18 F 0.89517482322039 0.47593201974870 0.91786938136265 18.998 > 17 19 F 0.39517482322039 0.97593201974870 0.91786938136265 18.998 > 17 20 F 0.89517482322039 0.97593201974870 0.91786938136265 18.998 > 17 21 F 0.10482517677961 0.22593201974870 0.58213061863735 18.998 > 21 22 F 0.60482517677961 0.22593201974870 0.58213061863735 18.998 > 21 23 F 0.10482517677961 0.72593201974870 0.58213061863735 18.998 > 21 24 F 0.60482517677961 0.72593201974870 0.58213061863735 18.998 > 21 25 F 0.10482517677961 0.02406798025130 0.08213061863735 18.998 > 25 26 F 0.60482517677961 0.02406798025130 0.08213061863735 18.998 > 25 27 F 0.10482517677961 0.52406798025130 0.08213061863735 18.998 > 25 28 F 0.60482517677961 0.52406798025130 0.08213061863735 18.998 > 25 29 F 0.39517482322039 0.27406798025130 0.41786938136265 18.998 > 29 30 F 0.89517482322039 0.27406798025130 0.41786938136265 18.998 > 29 31 F 0.39517482322039 0.77406798025130 0.41786938136265 18.998 > 29 32 F 0.89517482322039 0.77406798025130 0.41786938136265 18.998 > 29 33 F 0.49047135436202 0.13429518853853 0.85996124474272 18.998 > 33 34 F 0.99047135436202 0.13429518853853 0.85996124474272 18.998 > 33 35 F 0.49047135436202 0.63429518853853 0.85996124474272 18.998 > 33 36 F 0.99047135436202 0.63429518853853 0.85996124474272 18.998 > 33 37 F 0.00952864563798 0.38429518853853 0.64003875525728 18.998 > 37 38 F 0.50952864563798 0.38429518853853 0.64003875525728 18.998 > 37 39 F 0.00952864563798 0.88429518853853 0.64003875525728 18.998 > 37 40 F 0.50952864563798 0.88429518853853 0.64003875525728 18.998 > 37 41 F 0.00952864563798 0.36570481146147 0.14003875525727 18.998 > 41 42 F 0.50952864563798 0.36570481146147 0.14003875525727 18.998 > 41 43 F 0.00952864563798 0.86570481146147 0.14003875525727 18.998 > 41 44 F 0.50952864563798 0.86570481146147 0.14003875525727 18.998 > 41 45 F 0.49047135436202 0.11570481146147 0.35996124474273 18.998 > 45 46 F 0.99047135436202 0.11570481146147 0.35996124474273 18.998 > 45 47 F 0.49047135436202 0.61570481146147 0.35996124474273 18.998 > 45 48 F 0.99047135436202 0.61570481146147 0.35996124474273 18.998 > 45 49 F 0.23742530161838 0.12999487284128 0.05421433916697 18.998 > 49 50 F 0.73742530161838 0.12999487284128 0.05421433916697 18.998 > 49 51 F 0.23742530161838 0.62999487284128 0.05421433916697 18.998 > 49 52 F 0.73742530161838 0.62999487284128 0.05421433916697 18.998 > 49 53 F 0.26257469838161 0.37999487284128 0.44578566083303 18.998 > 53 54 F 0.76257469838161 0.37999487284128 0.44578566083303 18.998 > 53 55 F 0.26257469838161 0.87999487284128 0.44578566083303 18.998 > 53 56 F 0.76257469838161 0.87999487284128 0.44578566083303 18.998 > 53 57 F 0.26257469838161 0.37000512715872 0.94578566083303 18.998 > 57 58 F 0.76257469838161 0.37000512715872 0.94578566083303 18.998 > 57 59 F 0.26257469838161 0.87000512715872 0.94578566083303 18.998 > 57 60 F 0.76257469838161 0.87000512715872 0.94578566083303 18.998 > 57 61 F 0.23742530161838 0.12000512715872 0.55421433916697 18.998 > 61 62 F 0.73742530161838 0.12000512715872 0.55421433916697 18.998 > 61 63 F 0.23742530161838 0.62000512715872 0.55421433916697 18.998 > 61 64 F 0.73742530161838 0.62000512715872 0.55421433916697 18.998 > 61 65 F 0.37805154951830 0.47706723753437 0.67152890966078 18.998 > 65 66 F 0.87805154951830 0.47706723753437 0.67152890966078 18.998 > 65 67 F 0.37805154951830 0.97706723753437 0.67152890966078 18.998 > 65 68 F 0.87805154951830 0.97706723753437 0.67152890966078 18.998 > 65 69 F 0.12194845048170 0.22706723753437 0.82847109033922 18.998 > 69 70 F 0.62194845048170 0.22706723753437 0.82847109033922 18.998 > 69 71 F 0.12194845048170 0.72706723753437 0.82847109033922 18.998 > 69 72 F 0.62194845048170 0.72706723753437 0.82847109033922 18.998 > 69 73 F 0.12194845048170 0.02293276246563 0.32847109033923 18.998 > 73 74 F 0.62194845048170 0.02293276246563 0.32847109033923 18.998 > 73 75 F 0.12194845048170 0.52293276246563 0.32847109033923 18.998 > 73 76 F 0.62194845048170 0.52293276246563 0.32847109033923 18.998 > 73 77 F 0.37805154951830 0.27293276246563 0.17152890966077 18.998 > 77 78 F 0.87805154951830 0.27293276246563 0.17152890966077 18.998 > 77 79 F 0.37805154951830 0.77293276246563 0.17152890966077 18.998 > 77 80 F 0.87805154951830 0.77293276246563 0.17152890966077 18.998 > 77 81 F 0.11488532820591 0.48798264692732 0.85971809116428 18.998 > 81 82 F 0.61488532820591 0.48798264692732 0.85971809116428 18.998 > 81 83 F 0.11488532820591 0.98798264692731 0.85971809116428 18.998 > 81 84 F 0.61488532820591 0.98798264692731 0.85971809116428 18.998 > 81 85 F 0.38511467179409 0.23798264692731 0.64028190883572 18.998 > 85 86 F 0.88511467179409 0.23798264692731 0.64028190883572 18.998 > 85 87 F 0.38511467179409 0.73798264692731 0.64028190883572 18.998 > 85 88 F 0.88511467179409 0.73798264692731 0.64028190883572 18.998 > 85 89 F 0.38511467179409 0.01201735307269 0.14028190883572 18.998 > 89 90 F 0.88511467179409 0.01201735307269 0.14028190883572 18.998 > 89 91 F 0.38511467179409 0.51201735307269 0.14028190883572 18.998 > 89 92 F 0.88511467179409 0.51201735307269 0.14028190883572 18.998 > 89 93 F 0.11488532820591 0.26201735307268 0.35971809116428 18.998 > 93 94 F 0.61488532820591 0.26201735307268 0.35971809116428 18.998 > 93 95 F 0.11488532820591 0.76201735307269 0.35971809116428 18.998 > 93 96 F 0.61488532820591 0.76201735307269 0.35971809116428 18.998 > 93 97 F 0.26646929134032 0.45663461405510 0.23306130521084 18.998 > 97 98 F 0.76646929134032 0.45663461405510 0.23306130521084 18.998 > 97 99 F 0.26646929134032 0.95663461405510 0.23306130521084 18.998 > 97 100 F 0.76646929134032 0.95663461405510 0.23306130521084 18.998 > 97 101 F 0.23353070865968 0.20663461405510 0.26693869478916 18.998 > 101 102 F 0.73353070865968 0.20663461405510 0.26693869478916 18.998 > 101 103 F 0.23353070865968 0.70663461405510 0.26693869478916 18.998 > 101 104 F 0.73353070865968 0.70663461405510 0.26693869478916 18.998 > 101 105 F 0.23353070865968 0.04336538594490 0.76693869478916 18.998 > 105 106 F 0.73353070865968 0.04336538594490 0.76693869478916 18.998 > 105 107 F 0.23353070865968 0.54336538594490 0.76693869478916 18.998 > 105 108 F 0.73353070865968 0.54336538594490 0.76693869478916 18.998 > 105 109 F 0.26646929134032 0.29336538594490 0.73306130521084 18.998 > 109 110 F 0.76646929134032 0.29336538594490 0.73306130521084 18.998 > 109 111 F 0.26646929134032 0.79336538594490 0.73306130521084 18.998 > 109 112 F 0.76646929134032 0.79336538594490 0.73306130521084 18.998 > 109 113 Sn 0.38618205696365 0.37774062005616 0.54252380438364 118.710 > 113 114 Sn 0.88618205696365 0.37774062005616 0.54252380438364 118.710 > 113 115 Sn 0.38618205696365 0.87774062005616 0.54252380438364 118.710 > 113 116 Sn 0.88618205696365 0.87774062005616 0.54252380438364 118.710 > 113 117 Sn 0.11381794303635 0.12774062005616 0.95747619561636 118.710 > 117 118 Sn 0.61381794303635 0.12774062005616 0.95747619561636 118.710 > 117 119 Sn 0.11381794303635 0.62774062005616 0.95747619561636 118.710 > 117 120 Sn 0.61381794303635 0.62774062005616 0.95747619561636 118.710 > 117 121 Sn 0.11381794303635 0.12225937994384 0.45747619561636 118.710 > 121 122 Sn 0.61381794303635 0.12225937994384 0.45747619561636 118.710 > 121 123 Sn 0.11381794303635 0.62225937994384 0.45747619561636 118.710 > 121 124 Sn 0.61381794303635 0.62225937994384 0.45747619561636 118.710 > 121 125 Sn 0.38618205696365 0.37225937994384 0.04252380438364 118.710 > 125 126 Sn 0.88618205696365 0.37225937994384 0.04252380438364 118.710 > 125 127 Sn 0.38618205696365 0.87225937994384 0.04252380438364 118.710 > 125 128 Sn 0.88618205696365 0.87225937994384 0.04252380438364 118.710 > 125 129 Sm 0.34375689096961 0.12089055106623 0.26533344703203 150.360 > 129 130 Sm 0.84375689096961 0.12089055106623 0.26533344703203 150.360 > 129 131 Sm 0.34375689096961 0.62089055106623 0.26533344703203 150.360 > 129 132 Sm 0.84375689096961 0.62089055106623 0.26533344703203 150.360 > 129 133 Sm 0.15624310903039 0.37089055106623 0.23466655296797 150.360 > 133 134 Sm 0.65624310903039 0.37089055106623 0.23466655296797 150.360 > 133 135 Sm 0.15624310903039 0.87089055106623 0.23466655296797 150.360 > 133 136 Sm 0.65624310903039 0.87089055106623 0.23466655296797 150.360 > 133 137 Sm 0.15624310903039 0.37910944893377 0.73466655296797 150.360 > 137 138 Sm 0.65624310903039 0.37910944893377 0.73466655296797 150.360 > 137 139 Sm 0.15624310903039 0.87910944893377 0.73466655296797 150.360 > 137 140 Sm 0.65624310903039 0.87910944893377 0.73466655296797 150.360 > 137 141 Sm 0.34375689096961 0.12910944893377 0.76533344703203 150.360 > 141 142 Sm 0.84375689096961 0.12910944893377 0.76533344703203 150.360 > 141 143 Sm 0.34375689096961 0.62910944893377 0.76533344703203 150.360 > 141 144 Sm 0.84375689096961 0.62910944893377 0.76533344703203 150.360 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3097011 0.0000000 0.0108713 0.0000000 2.2999351 0.0000000 0.0108715 0.0000000 2.2993528 -------------------------- Born effective charges -------------------------- 1 F -0.7052115 -0.1804223 0.1377516 -0.1836222 -1.2513255 0.5858399 0.1348120 0.5734106 -1.3115293 2 F -0.7052115 0.1804223 0.1377516 0.1836222 -1.2513255 -0.5858399 0.1348120 -0.5734106 -1.3115293 3 F -0.7052115 -0.1804223 0.1377516 -0.1836222 -1.2513255 0.5858399 0.1348120 0.5734106 -1.3115293 4 F -0.7052115 0.1804223 0.1377516 0.1836222 -1.2513255 -0.5858399 0.1348120 -0.5734106 -1.3115293 5 F -0.7383155 -0.1665194 0.1541780 -0.1837416 -1.2341044 0.5765670 0.1451704 0.5665544 -1.2538816 6 F -0.7383155 0.1665194 0.1541780 0.1837416 -1.2341044 -0.5765670 0.1451704 -0.5665544 -1.2538816 7 F -0.7383155 -0.1665194 0.1541780 -0.1837416 -1.2341044 0.5765670 0.1451704 0.5665544 -1.2538816 8 F -0.7383155 0.1665194 0.1541780 0.1837416 -1.2341044 -0.5765670 0.1451704 -0.5665544 -1.2538816 9 F -1.8303053 0.0198074 -0.6368292 -0.0055791 -0.6493120 0.0104167 -0.6207735 -0.0017298 -1.0071285 10 F -1.8303053 -0.0198074 -0.6368292 0.0055791 -0.6493120 -0.0104167 -0.6207735 0.0017298 -1.0071285 11 F -1.8303053 0.0198074 -0.6368292 -0.0055791 -0.6493120 0.0104167 -0.6207735 -0.0017298 -1.0071285 12 F -1.8303053 -0.0198074 -0.6368292 0.0055791 -0.6493120 -0.0104167 -0.6207735 0.0017298 -1.0071285 13 F -1.0401529 -0.0090389 -0.4135703 0.0278355 -0.6643115 0.0366358 -0.4349324 0.0053869 -1.3538067 14 F -1.0401529 0.0090389 -0.4135703 -0.0278355 -0.6643115 -0.0366358 -0.4349324 -0.0053869 -1.3538067 15 F -1.0401529 -0.0090389 -0.4135703 0.0278355 -0.6643115 0.0366358 -0.4349324 0.0053869 -1.3538067 16 F -1.0401529 0.0090389 -0.4135703 -0.0278355 -0.6643115 -0.0366358 -0.4349324 -0.0053869 -1.3538067 17 F -1.0062232 0.4683493 0.4021625 0.4601614 -1.3012776 -0.5302329 0.3942343 -0.5244955 -1.1362485 18 F -1.0062232 -0.4683493 0.4021625 -0.4601614 -1.3012776 0.5302329 0.3942343 0.5244955 -1.1362485 19 F -1.0062232 0.4683493 0.4021625 0.4601614 -1.3012776 -0.5302329 0.3942343 -0.5244955 -1.1362485 20 F -1.0062232 -0.4683493 0.4021625 -0.4601614 -1.3012776 0.5302329 0.3942343 0.5244955 -1.1362485 21 F -0.9929839 0.4327197 0.3742095 0.4260781 -1.2766063 -0.5210414 0.3527406 -0.4925951 -1.0860423 22 F -0.9929839 -0.4327197 0.3742095 -0.4260781 -1.2766063 0.5210414 0.3527406 0.4925951 -1.0860423 23 F -0.9929839 0.4327197 0.3742095 0.4260781 -1.2766063 -0.5210414 0.3527406 -0.4925951 -1.0860423 24 F -0.9929839 -0.4327197 0.3742095 -0.4260781 -1.2766063 0.5210414 0.3527406 0.4925951 -1.0860423 25 F -1.5249893 -0.7140931 -0.0840447 -0.7689817 -1.4474313 -0.0613297 -0.0419586 -0.0269272 -0.7162377 26 F -1.5249893 0.7140931 -0.0840447 0.7689817 -1.4474313 0.0613297 -0.0419586 0.0269272 -0.7162377 27 F -1.5249893 -0.7140931 -0.0840447 -0.7689817 -1.4474313 -0.0613297 -0.0419586 -0.0269272 -0.7162377 28 F -1.5249893 0.7140931 -0.0840447 0.7689817 -1.4474313 0.0613297 -0.0419586 0.0269272 -0.7162377 29 Sn 3.7840399 0.0672372 -0.0235640 -0.0707447 3.8237872 0.1018838 0.0467982 -0.1261224 3.9607201 30 Sn 3.7840399 -0.0672372 -0.0235640 0.0707447 3.8237872 -0.1018838 0.0467982 0.1261224 3.9607201 31 Sn 3.7840399 0.0672372 -0.0235640 -0.0707447 3.8237872 0.1018838 0.0467982 -0.1261224 3.9607201 32 Sn 3.7840399 -0.0672372 -0.0235640 0.0707447 3.8237872 -0.1018838 0.0467982 0.1261224 3.9607201 33 Sm 4.0541417 0.1578428 0.0897067 -0.0786775 4.0005813 0.0476796 0.0239090 0.0165238 3.9041547 34 Sm 4.0541417 -0.1578428 0.0897067 0.0786775 4.0005813 -0.0476796 0.0239090 -0.0165238 3.9041547 35 Sm 4.0541417 0.1578428 0.0897067 -0.0786775 4.0005813 0.0476796 0.0239090 0.0165238 3.9041547 36 Sm 4.0541417 -0.1578428 0.0897067 0.0786775 4.0005813 -0.0476796 0.0239090 -0.0165238 3.9041547 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.660 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 13.924 ( 0.000 0.000 0.000) 0.000 14.010 ( 0.000 0.000 0.000) 0.000 14.075 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 15.896 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 15.979 ( 0.000 0.000 0.000) 0.000 15.998 ( 0.000 0.000 0.000) 0.000 16.075 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.181 ( 0.000 0.000 0.000) 0.000 16.248 ( 0.000 0.000 0.000) 0.000 16.362 ( 0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.771 ( 0.000 0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 18.068 ( 0.000 0.000 0.000) 0.000 18.344 ( 0.000 0.000 0.000) 0.000 18.645 ( 0.000 0.000 0.000) 0.000 18.876 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 18.276 0.000 10.283) 20.970 0.456 ( 19.454 0.000 7.980) 21.027 1.040 ( 38.274 0.000 26.841) 46.748 1.614 ( 3.239 0.000 -1.762) 3.688 1.838 ( -3.265 0.000 -5.905) 6.747 1.903 ( 0.445 0.000 -0.118) 0.460 2.041 ( -3.584 0.000 -3.985) 5.359 2.242 ( 3.422 0.000 0.839) 3.523 2.268 ( -2.939 0.000 0.598) 2.999 2.358 ( 0.357 0.000 -5.494) 5.506 2.488 ( -3.896 0.000 7.062) 8.066 2.556 ( 2.992 0.000 -3.420) 4.544 2.659 ( -1.299 0.000 -2.525) 2.840 2.781 ( -3.323 0.000 0.054) 3.324 2.842 ( 7.676 0.000 2.775) 8.163 2.878 ( 3.059 0.000 -9.573) 10.050 3.114 ( -3.567 0.000 2.836) 4.557 3.205 ( -7.923 0.000 1.945) 8.159 3.237 ( 3.872 0.000 -0.116) 3.874 3.389 ( 1.615 0.000 2.458) 2.941 3.488 ( 1.266 0.000 -7.884) 7.985 3.514 ( -5.838 0.000 6.452) 8.701 3.549 ( -1.217 0.000 -0.807) 1.461 3.832 ( -1.640 0.000 -4.343) 4.642 3.926 ( 0.056 0.000 0.623) 0.626 3.934 ( -5.691 0.000 -5.009) 7.581 3.986 ( -1.092 0.000 5.475) 5.583 4.095 ( 1.207 0.000 -6.412) 6.525 4.146 ( -0.246 0.000 1.757) 1.774 4.244 ( 1.943 0.000 -3.145) 3.697 4.268 ( 2.456 0.000 8.841) 9.176 4.285 ( -2.419 0.000 1.621) 2.912 4.373 ( 0.630 0.000 -3.361) 3.420 4.404 ( -5.738 0.000 -6.365) 8.570 4.517 ( -3.680 0.000 -4.044) 5.468 4.554 ( 2.582 0.000 -1.621) 3.049 4.645 ( 0.314 0.000 -0.040) 0.317 4.645 ( -4.065 0.000 -1.696) 4.405 4.758 ( 4.394 0.000 1.610) 4.680 4.917 ( -2.405 0.000 4.994) 5.543 5.069 ( -0.624 0.000 -1.472) 1.599 5.100 ( -3.500 0.000 -1.749) 3.912 5.294 ( 3.385 0.000 6.974) 7.752 5.306 ( -0.756 0.000 -13.740) 13.761 5.374 ( -4.102 0.000 -1.333) 4.313 5.388 ( 1.282 0.000 4.021) 4.220 5.551 ( -0.649 0.000 2.745) 2.821 5.610 ( 0.388 0.000 -3.107) 3.132 5.695 ( 1.271 0.000 3.585) 3.804 5.804 ( -0.431 0.000 12.335) 12.343 5.966 ( -20.312 0.000 32.655) 38.457 6.029 ( -4.602 0.000 -1.292) 4.780 6.064 ( 5.319 0.000 -1.544) 5.538 6.305 ( 6.550 0.000 2.802) 7.124 6.357 ( 2.894 0.000 -1.251) 3.153 6.811 ( 4.512 0.000 -4.370) 6.281 7.010 ( -3.953 0.000 1.148) 4.116 7.040 ( 0.083 0.000 5.780) 5.781 7.070 ( -5.177 0.000 -3.023) 5.995 7.102 ( 1.945 0.000 0.040) 1.945 7.115 ( -3.726 0.000 -3.414) 5.054 7.242 ( 0.201 0.000 -0.149) 0.250 7.242 ( -1.349 0.000 1.993) 2.407 7.301 ( 5.485 0.000 -3.325) 6.414 7.347 ( 2.096 0.000 3.305) 3.914 7.647 ( 1.798 0.000 -6.156) 6.413 7.722 ( 0.021 0.000 -3.339) 3.339 7.771 ( 2.783 0.000 0.332) 2.803 7.793 ( -1.397 0.000 8.663) 8.775 7.896 ( 2.696 0.000 -5.974) 6.554 7.997 ( -2.701 0.000 -2.034) 3.381 8.038 ( -0.166 0.000 -0.753) 0.771 8.175 ( 8.356 0.000 -9.035) 12.306 8.263 ( 1.661 0.000 -0.279) 1.685 8.324 ( 0.178 0.000 2.296) 2.302 8.509 ( -4.103 0.000 1.034) 4.231 8.600 ( 0.967 0.000 0.689) 1.188 8.657 ( -5.615 0.000 10.362) 11.786 8.804 ( 0.437 0.000 1.954) 2.002 8.904 ( -4.203 0.000 -2.961) 5.142 11.987 ( 0.184 0.000 -0.092) 0.206 11.998 ( 0.369 0.000 0.062) 0.374 13.300 ( -0.489 0.000 -8.423) 8.437 13.373 ( 4.249 0.000 -12.819) 13.505 13.671 ( 9.125 0.000 1.386) 9.230 13.854 ( 0.614 0.000 0.726) 0.951 13.895 ( 0.034 0.000 -0.324) 0.325 13.926 ( -0.134 0.000 -0.003) 0.134 14.051 ( 7.060 0.000 -4.419) 8.329 14.108 ( 3.080 0.000 2.120) 3.739 14.242 ( -2.424 0.000 13.665) 13.878 15.904 ( -15.855 0.000 -1.194) 15.900 15.940 ( 3.388 0.000 2.981) 4.513 15.993 ( 4.061 0.000 3.319) 5.244 16.005 ( 0.642 0.000 -1.176) 1.340 16.056 ( -1.333 0.000 -11.065) 11.145 16.145 ( 1.349 0.000 -2.330) 2.692 16.198 ( 1.951 0.000 0.569) 2.033 16.218 ( -2.660 0.000 -12.308) 12.592 16.271 ( 2.534 0.000 0.585) 2.600 17.320 ( 12.494 0.000 12.941) 17.988 17.770 ( 0.874 0.000 -1.654) 1.871 17.882 ( 3.797 0.000 4.535) 5.915 18.044 ( -3.194 0.000 0.748) 3.281 18.299 ( -2.853 0.000 -1.840) 3.395 18.589 ( -2.236 0.000 -6.436) 6.814 18.627 ( -4.639 0.000 6.790) 8.224 18.801 ( -6.915 0.000 -1.056) 6.996 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 14.049 0.000 5.836) 15.213 0.861 ( 15.983 0.000 9.480) 18.583 1.627 ( 1.219 0.000 -2.887) 3.133 1.662 ( 3.852 0.000 -2.676) 4.690 1.696 ( -5.541 0.000 -15.281) 16.254 1.791 ( -8.200 0.000 -4.316) 9.266 2.083 ( -7.649 0.000 -2.912) 8.184 2.094 ( 19.160 0.000 16.700) 25.416 2.356 ( 7.703 0.000 2.397) 8.067 2.491 ( -3.835 0.000 8.302) 9.145 2.594 ( 4.423 0.000 -3.287) 5.510 2.605 ( -3.852 0.000 -2.869) 4.803 2.621 ( 6.724 0.000 8.184) 10.593 2.621 ( 0.208 0.000 -2.109) 2.119 2.824 ( 1.103 0.000 -7.971) 8.047 2.965 ( 1.668 0.000 5.676) 5.916 3.010 ( -6.353 0.000 0.123) 6.354 3.129 ( -0.807 0.000 -0.177) 0.826 3.330 ( -0.988 0.000 0.742) 1.236 3.401 ( -1.934 0.000 -9.716) 9.907 3.496 ( -2.963 0.000 6.626) 7.259 3.497 ( 6.719 0.000 2.386) 7.130 3.534 ( 2.656 0.000 3.136) 4.110 3.711 ( -9.271 0.000 -7.121) 11.690 3.839 ( 4.270 0.000 -1.607) 4.562 3.852 ( -7.400 0.000 -4.026) 8.425 4.029 ( -1.857 0.000 -5.583) 5.884 4.051 ( -0.048 0.000 7.291) 7.291 4.123 ( -4.632 0.000 -2.746) 5.385 4.178 ( 0.291 0.000 -0.094) 0.305 4.235 ( -3.509 0.000 -1.729) 3.912 4.263 ( -0.290 0.000 0.846) 0.895 4.382 ( -5.768 0.000 -4.505) 7.318 4.430 ( 5.754 0.000 1.747) 6.014 4.438 ( 2.538 0.000 1.090) 2.762 4.565 ( -2.492 0.000 -0.939) 2.663 4.594 ( 4.574 0.000 -3.963) 6.052 4.657 ( -0.867 0.000 3.209) 3.324 4.886 ( -5.074 0.000 5.118) 7.206 4.887 ( 7.659 0.000 0.889) 7.710 5.054 ( -1.433 0.000 -8.005) 8.133 5.093 ( -4.593 0.000 -0.616) 4.634 5.109 ( 2.686 0.000 3.482) 4.397 5.260 ( -7.316 0.000 -4.072) 8.372 5.314 ( -2.260 0.000 1.200) 2.559 5.443 ( -4.883 0.000 -0.330) 4.894 5.575 ( -2.371 0.000 -1.451) 2.780 5.577 ( 4.741 0.000 4.657) 6.646 5.791 ( 3.095 0.000 4.326) 5.319 5.898 ( -3.890 0.000 13.702) 14.244 5.930 ( -5.522 0.000 0.539) 5.548 5.995 ( 2.098 0.000 9.204) 9.440 6.179 ( 6.577 0.000 -0.366) 6.587 6.386 ( 2.816 0.000 -6.739) 7.304 6.394 ( 2.265 0.000 -1.642) 2.797 6.752 ( -1.339 0.000 -7.816) 7.930 6.948 ( -4.500 0.000 -0.884) 4.586 6.973 ( -1.392 0.000 0.534) 1.491 7.009 ( -3.164 0.000 -3.856) 4.988 7.117 ( 0.686 0.000 1.820) 1.945 7.174 ( 2.941 0.000 6.263) 6.919 7.240 ( -1.084 0.000 1.974) 2.252 7.269 ( 2.316 0.000 0.338) 2.341 7.378 ( 5.884 0.000 -2.702) 6.474 7.421 ( 1.932 0.000 4.728) 5.108 7.608 ( -2.081 0.000 -1.187) 2.395 7.695 ( 0.774 0.000 -2.696) 2.805 7.806 ( 0.309 0.000 -4.791) 4.801 7.844 ( -1.434 0.000 5.334) 5.523 7.868 ( -0.269 0.000 -2.183) 2.200 7.951 ( 1.581 0.000 -1.956) 2.515 8.021 ( -0.581 0.000 -0.467) 0.746 8.258 ( 2.665 0.000 2.721) 3.808 8.303 ( 5.773 0.000 -4.435) 7.280 8.331 ( -1.902 0.000 2.643) 3.256 8.444 ( -2.020 0.000 -1.649) 2.608 8.646 ( 1.212 0.000 3.175) 3.398 8.651 ( -3.899 0.000 5.599) 6.823 8.770 ( -4.941 0.000 -4.751) 6.854 8.817 ( -0.642 0.000 1.111) 1.283 11.991 ( 0.281 0.000 -0.071) 0.290 12.005 ( 0.269 0.000 0.022) 0.270 13.203 ( -1.065 0.000 -6.619) 6.704 13.342 ( 1.299 0.000 -4.235) 4.430 13.837 ( 5.264 0.000 2.062) 5.654 13.869 ( 0.165 0.000 0.847) 0.863 13.891 ( 0.025 0.000 -0.528) 0.528 13.921 ( -0.279 0.000 -0.356) 0.452 14.155 ( 8.674 0.000 -6.809) 11.027 14.286 ( 12.619 0.000 7.550) 14.705 14.326 ( -3.715 0.000 13.971) 14.457 15.361 ( -25.371 0.000 -15.105) 29.527 16.005 ( 0.096 0.000 -0.164) 0.190 16.013 ( 0.917 0.000 -2.575) 2.733 16.041 ( 2.915 0.000 2.944) 4.143 16.077 ( 1.382 0.000 1.801) 2.270 16.146 ( 0.590 0.000 -1.061) 1.214 16.166 ( 0.780 0.000 -2.654) 2.766 16.290 ( 5.687 0.000 3.625) 6.744 16.357 ( 4.810 0.000 1.711) 5.105 17.621 ( 10.185 0.000 5.679) 11.661 17.778 ( 1.850 0.000 -1.280) 2.250 17.956 ( -6.032 0.000 -1.221) 6.154 17.966 ( -2.647 0.000 4.058) 4.845 18.282 ( 4.320 0.000 0.774) 4.389 18.473 ( -1.689 0.000 -6.889) 7.093 18.573 ( -5.425 0.000 0.532) 5.451 18.641 ( -7.787 0.000 -1.125) 7.868 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 -0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 -0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.995 ( -0.000 0.000 -0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.625 ( -0.000 0.000 -0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.935 ( -0.000 0.000 -0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 -0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.127 ( -0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.347 ( -0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 -0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 -0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 -0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.570 ( -0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 -0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 -0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 13.876 ( 0.000 0.000 0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 13.905 ( -0.000 0.000 -0.000) 0.000 14.204 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 14.622 ( 0.000 0.000 0.000) 0.000 14.871 ( -0.000 0.000 -0.000) 0.000 16.005 ( 0.000 0.000 -0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.086 ( 0.000 0.000 0.000) 0.000 16.088 ( -0.000 0.000 -0.000) 0.000 16.147 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 0.000 0.000) 0.000 16.390 ( 0.000 0.000 0.000) 0.000 16.420 ( 0.000 0.000 0.000) 0.000 17.786 ( 0.000 0.000 0.000) 0.000 17.821 ( 0.000 0.000 0.000) 0.000 17.843 ( -0.000 0.000 -0.000) 0.000 17.898 ( -0.000 0.000 0.000) 0.000 18.426 ( 0.000 0.000 0.000) 0.000 18.427 ( 0.000 0.000 0.000) 0.000 18.446 ( -0.000 0.000 -0.000) 0.000 18.550 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 22.966 0.000) 22.966 0.736 ( 0.000 36.251 0.000) 36.251 0.749 ( 0.000 37.491 0.000) 37.491 1.673 ( 0.000 7.425 0.000) 7.425 1.934 ( 0.000 4.837 0.000) 4.837 2.050 ( 0.000 9.119 0.000) 9.119 2.086 ( 0.000 4.007 0.000) 4.007 2.231 ( 0.000 1.249 0.000) 1.249 2.279 ( 0.000 6.462 0.000) 6.462 2.432 ( 0.000 -5.727 0.000) 5.727 2.587 ( 0.000 3.956 0.000) 3.956 2.628 ( 0.000 8.944 0.000) 8.944 2.630 ( 0.000 1.625 0.000) 1.625 2.812 ( 0.000 2.470 0.000) 2.470 2.850 ( 0.000 9.318 0.000) 9.318 2.903 ( 0.000 8.231 0.000) 8.231 3.072 ( 0.000 -3.494 0.000) 3.494 3.208 ( 0.000 -10.496 0.000) 10.496 3.225 ( 0.000 -0.305 0.000) 0.305 3.346 ( 0.000 2.501 0.000) 2.501 3.445 ( 0.000 -7.967 0.000) 7.967 3.499 ( 0.000 -0.787 0.000) 0.787 3.658 ( 0.000 3.565 0.000) 3.565 3.822 ( 0.000 -5.148 0.000) 5.148 3.876 ( 0.000 -2.932 0.000) 2.932 3.907 ( 0.000 -4.231 0.000) 4.231 4.030 ( 0.000 -3.204 0.000) 3.204 4.102 ( 0.000 0.224 0.000) 0.224 4.159 ( 0.000 -1.085 0.000) 1.085 4.211 ( 0.000 3.974 0.000) 3.974 4.256 ( 0.000 4.902 0.000) 4.902 4.415 ( 0.000 -2.377 0.000) 2.377 4.485 ( 0.000 -1.098 0.000) 1.098 4.526 ( 0.000 0.954 0.000) 0.954 4.577 ( 0.000 -0.813 0.000) 0.813 4.622 ( 0.000 -2.480 0.000) 2.480 4.644 ( 0.000 3.275 0.000) 3.275 4.693 ( 0.000 -0.067 0.000) 0.067 4.821 ( 0.000 -7.074 0.000) 7.074 5.028 ( 0.000 -7.539 0.000) 7.539 5.039 ( 0.000 -1.644 0.000) 1.644 5.130 ( 0.000 1.071 0.000) 1.071 5.186 ( 0.000 0.707 0.000) 0.707 5.260 ( 0.000 -0.628 0.000) 0.628 5.272 ( 0.000 -0.451 0.000) 0.451 5.385 ( 0.000 1.660 0.000) 1.660 5.538 ( 0.000 0.917 0.000) 0.917 5.547 ( 0.000 -1.074 0.000) 1.074 5.671 ( 0.000 2.971 0.000) 2.971 5.788 ( 0.000 2.007 0.000) 2.007 5.895 ( 0.000 -4.068 0.000) 4.068 5.905 ( 0.000 -5.301 0.000) 5.301 6.179 ( 0.000 3.911 0.000) 3.911 6.279 ( 0.000 7.028 0.000) 7.028 6.609 ( 0.000 0.656 0.000) 0.656 6.705 ( 0.000 -3.740 0.000) 3.740 6.826 ( 0.000 -3.738 0.000) 3.738 6.971 ( 0.000 -5.609 0.000) 5.609 7.041 ( 0.000 -2.941 0.000) 2.941 7.124 ( 0.000 0.569 0.000) 0.569 7.149 ( 0.000 -0.535 0.000) 0.535 7.184 ( 0.000 -5.369 0.000) 5.369 7.216 ( 0.000 1.551 0.000) 1.551 7.284 ( 0.000 2.795 0.000) 2.795 7.385 ( 0.000 0.907 0.000) 0.907 7.437 ( 0.000 -5.527 0.000) 5.527 7.590 ( 0.000 -3.960 0.000) 3.960 7.801 ( 0.000 4.636 0.000) 4.636 7.868 ( 0.000 -1.598 0.000) 1.598 7.957 ( 0.000 -0.361 0.000) 0.361 8.000 ( 0.000 -0.980 0.000) 0.980 8.029 ( 0.000 7.930 0.000) 7.930 8.173 ( 0.000 8.068 0.000) 8.068 8.234 ( 0.000 -0.624 0.000) 0.624 8.400 ( 0.000 1.790 0.000) 1.790 8.551 ( 0.000 0.380 0.000) 0.380 8.596 ( 0.000 0.460 0.000) 0.460 8.617 ( 0.000 1.394 0.000) 1.394 8.792 ( 0.000 1.241 0.000) 1.241 8.944 ( 0.000 -1.704 0.000) 1.704 12.063 ( 0.000 6.253 0.000) 6.253 12.636 ( 0.000 0.864 0.000) 0.864 12.872 ( 0.000 -0.791 0.000) 0.791 13.197 ( 0.000 -11.957 0.000) 11.957 13.603 ( 0.000 4.549 0.000) 4.549 13.854 ( 0.000 1.223 0.000) 1.223 13.893 ( 0.000 -0.077 0.000) 0.077 14.010 ( 0.000 0.213 0.000) 0.213 14.099 ( 0.000 0.862 0.000) 0.862 14.138 ( 0.000 17.783 0.000) 17.783 14.248 ( 0.000 7.028 0.000) 7.028 15.711 ( 0.000 -20.420 0.000) 20.420 15.980 ( 0.000 0.153 0.000) 0.153 15.995 ( 0.000 -1.540 0.000) 1.540 16.034 ( 0.000 0.821 0.000) 0.821 16.069 ( 0.000 -0.224 0.000) 0.224 16.158 ( 0.000 1.369 0.000) 1.369 16.201 ( 0.000 0.910 0.000) 0.910 16.373 ( 0.000 0.473 0.000) 0.473 16.475 ( 0.000 -0.698 0.000) 0.698 17.309 ( 0.000 15.743 0.000) 15.743 17.747 ( 0.000 -1.579 0.000) 1.579 17.827 ( 0.000 0.866 0.000) 0.866 18.045 ( 0.000 -2.220 0.000) 2.220 18.255 ( 0.000 -5.821 0.000) 5.821 18.450 ( 0.000 3.097 0.000) 3.097 18.561 ( 0.000 -8.297 0.000) 8.297 18.779 ( 0.000 -9.432 0.000) 9.432 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 3.500 25.090 20.972) 32.887 0.881 ( 17.138 30.816 -6.843) 35.919 1.168 ( 31.535 14.097 22.469) 41.207 1.682 ( 2.902 5.954 -3.551) 7.516 1.902 ( -4.563 5.895 -5.763) 9.423 1.965 ( -1.224 4.170 0.635) 4.392 2.102 ( -1.993 6.248 -6.350) 9.128 2.271 ( 0.106 3.494 4.939) 6.051 2.313 ( -2.559 3.230 -0.700) 4.180 2.358 ( 5.766 0.943 -5.349) 7.921 2.510 ( -4.464 2.026 1.771) 5.212 2.642 ( 1.039 8.193 0.504) 8.274 2.691 ( 0.721 2.501 -0.046) 2.603 2.797 ( -3.383 1.697 -0.878) 3.885 2.826 ( 1.386 -0.968 -1.399) 2.194 2.901 ( 2.608 3.318 -7.676) 8.760 3.097 ( -2.509 -1.957 5.368) 6.240 3.186 ( -6.003 -2.481 3.906) 7.580 3.246 ( 2.348 -5.347 -1.148) 5.952 3.294 ( -2.342 1.574 2.097) 3.516 3.404 ( -0.603 -5.605 -3.209) 6.487 3.503 ( -2.244 -0.685 3.880) 4.534 3.643 ( 0.550 4.278 -3.641) 5.645 3.813 ( 0.556 -0.991 -1.362) 1.773 3.893 ( -0.646 -3.520 -1.160) 3.762 3.929 ( 0.697 -2.134 4.804) 5.303 3.985 ( -1.563 -0.173 -2.666) 3.095 4.086 ( -1.753 -0.089 -5.705) 5.969 4.174 ( 2.553 0.176 1.879) 3.175 4.237 ( 0.631 0.150 -0.081) 0.653 4.284 ( -3.608 -0.291 -0.421) 3.644 4.332 ( -4.262 0.865 -4.350) 6.151 4.377 ( -4.164 0.647 -1.407) 4.443 4.456 ( -0.846 3.150 -3.476) 4.767 4.486 ( -1.840 -1.030 -2.436) 3.222 4.583 ( -2.047 0.767 -0.239) 2.199 4.632 ( 1.078 0.850 -1.599) 2.108 4.674 ( 0.113 2.169 -3.359) 4.000 4.808 ( 1.616 1.332 -2.064) 2.941 4.900 ( -4.135 1.300 8.202) 9.277 5.065 ( 0.219 -1.389 -2.293) 2.689 5.098 ( -3.867 0.191 -0.737) 3.941 5.221 ( 1.338 -3.758 3.809) 5.516 5.328 ( 3.952 -1.745 -0.354) 4.334 5.362 ( -4.900 -0.756 -3.712) 6.193 5.415 ( -1.024 -1.291 2.279) 2.812 5.445 ( 0.948 -0.988 1.514) 2.041 5.597 ( 2.532 -1.776 -0.846) 3.206 5.724 ( 3.110 2.387 6.206) 7.341 5.849 ( -5.507 0.246 8.554) 10.177 5.868 ( -1.303 -7.589 2.742) 8.173 5.923 ( -3.331 -1.420 11.840) 12.381 6.143 ( -0.531 2.748 -1.038) 2.985 6.336 ( 5.052 3.732 -1.029) 6.365 6.518 ( -4.145 8.920 2.375) 10.119 6.753 ( 2.866 -5.503 -3.429) 7.089 6.878 ( -1.320 -10.411 -2.509) 10.790 6.966 ( -1.708 -5.545 -0.580) 5.831 7.005 ( -0.113 -3.811 3.064) 4.892 7.139 ( -0.137 2.282 1.841) 2.935 7.166 ( -1.417 -2.245 0.805) 2.774 7.200 ( -1.988 2.652 -1.442) 3.614 7.245 ( 2.700 -1.281 4.016) 5.006 7.296 ( 3.781 -0.186 -3.762) 5.337 7.354 ( 1.792 0.087 -1.771) 2.521 7.582 ( 7.633 -8.856 3.312) 12.151 7.597 ( 2.931 -3.405 -3.412) 5.642 7.757 ( -1.548 2.234 -1.960) 3.351 7.896 ( 0.345 4.383 -0.155) 4.399 7.935 ( -2.642 -0.170 -1.113) 2.872 8.005 ( 2.562 -3.169 -0.962) 4.187 8.037 ( 0.239 7.438 0.337) 7.450 8.191 ( 3.446 2.989 -3.139) 5.537 8.254 ( 1.461 0.474 1.247) 1.978 8.394 ( 0.003 3.778 -1.355) 4.014 8.486 ( -4.523 -2.084 0.715) 5.032 8.613 ( -1.156 -0.199 4.027) 4.195 8.661 ( 1.141 3.368 3.033) 4.674 8.807 ( 0.210 0.540 0.747) 0.946 8.899 ( -3.255 -0.440 -1.638) 3.671 12.064 ( 0.001 6.023 0.334) 6.033 12.228 ( -12.196 15.156 -3.340) 19.738 13.165 ( 1.104 -10.746 -5.636) 12.185 13.238 ( 12.399 -10.805 -4.964) 17.179 13.649 ( 4.789 1.290 3.444) 6.038 13.850 ( 0.248 -0.536 -0.543) 0.802 13.893 ( 0.278 0.654 -0.373) 0.803 13.977 ( -2.679 0.787 -2.878) 4.010 14.062 ( 2.904 1.988 -1.965) 4.031 14.198 ( 4.210 10.651 2.276) 11.677 14.385 ( 3.192 13.829 12.619) 18.991 15.608 ( -10.780 -21.728 -5.402) 24.849 15.983 ( 0.659 0.053 -0.171) 0.682 16.008 ( 0.842 0.216 -0.275) 0.912 16.036 ( -3.032 4.329 0.003) 5.285 16.062 ( 2.600 0.212 1.260) 2.897 16.124 ( 1.106 -1.181 -0.657) 1.746 16.206 ( 0.981 0.642 -4.285) 4.443 16.296 ( -5.744 3.476 -6.975) 9.682 16.303 ( 0.170 2.060 -1.820) 2.754 17.469 ( 9.278 11.925 8.106) 17.147 17.751 ( 0.714 -1.883 -1.276) 2.384 17.894 ( 3.820 1.434 5.307) 6.695 18.019 ( -3.178 -2.381 0.356) 3.987 18.254 ( -0.877 -4.010 -0.928) 4.208 18.503 ( -2.342 -8.521 -6.457) 10.945 18.595 ( 2.194 -1.229 6.913) 7.357 18.701 ( -6.961 -9.626 -1.592) 11.985 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 4.248 20.556 20.979) 29.677 1.158 ( 18.397 23.921 -7.320) 31.053 1.668 ( 2.076 3.393 -9.356) 10.166 1.731 ( -1.360 5.093 -5.373) 7.527 1.780 ( 0.897 8.170 -2.818) 8.689 1.830 ( -7.523 4.063 -3.247) 9.146 2.052 ( 1.905 1.395 -1.686) 2.901 2.207 ( 3.708 7.461 9.053) 12.304 2.408 ( 7.486 4.646 3.211) 9.378 2.478 ( -3.831 -2.861 2.991) 5.640 2.522 ( 5.338 -2.801 3.777) 7.114 2.622 ( -3.457 0.936 -3.441) 4.967 2.672 ( -0.106 6.515 -0.479) 6.534 2.728 ( 3.615 5.856 0.453) 6.897 2.831 ( 0.257 -6.224 -0.010) 6.229 2.885 ( -0.853 -0.847 -1.475) 1.903 3.061 ( -4.794 3.701 1.611) 6.267 3.129 ( 0.561 -0.637 3.032) 3.149 3.230 ( -3.146 -8.734 -0.983) 9.336 3.299 ( 0.711 -2.687 1.019) 2.960 3.437 ( 0.274 -3.323 -1.522) 3.665 3.489 ( -2.093 -0.187 1.813) 2.775 3.640 ( 3.036 4.642 -2.008) 5.899 3.793 ( -0.791 5.380 -0.415) 5.453 3.833 ( -4.462 -0.677 -2.814) 5.319 3.902 ( -1.060 3.578 -3.225) 4.932 3.985 ( -1.101 -1.904 5.651) 6.064 3.994 ( -3.409 -3.527 -3.862) 6.243 4.114 ( -4.275 1.320 -4.731) 6.512 4.170 ( -0.577 -2.987 -2.642) 4.030 4.283 ( -1.457 2.488 -0.090) 2.885 4.299 ( 1.884 1.745 -0.906) 2.723 4.386 ( 3.641 0.208 2.922) 4.673 4.431 ( -0.827 1.006 -2.744) 3.037 4.492 ( 0.633 2.910 2.760) 4.060 4.557 ( 0.988 -0.757 -1.540) 1.980 4.612 ( 1.301 3.365 -3.428) 4.977 4.663 ( -0.809 1.249 1.738) 2.288 4.854 ( -0.497 -0.687 2.340) 2.489 4.898 ( 0.268 -0.918 4.834) 4.927 5.050 ( 0.952 -0.888 -5.027) 5.192 5.110 ( -3.667 1.163 -1.248) 4.045 5.139 ( 1.191 1.189 0.838) 1.880 5.223 ( -5.752 -1.455 -0.500) 5.954 5.309 ( -4.864 -1.320 -3.021) 5.876 5.409 ( -3.081 0.413 0.007) 3.108 5.537 ( 5.863 -2.820 5.157) 8.302 5.624 ( -0.778 0.347 -1.262) 1.523 5.781 ( 0.179 -0.885 4.548) 4.637 5.831 ( -2.012 -8.178 -0.518) 8.438 5.895 ( -2.251 -0.702 8.527) 8.847 6.030 ( 3.406 2.828 9.472) 10.456 6.175 ( 4.117 0.018 -0.628) 4.164 6.394 ( 2.133 0.615 -3.138) 3.843 6.468 ( -2.308 6.241 -3.093) 7.338 6.662 ( -3.095 -7.502 -5.654) 9.890 6.849 ( -0.664 -7.915 -1.117) 8.021 6.923 ( -2.066 -2.935 0.131) 3.591 7.024 ( -2.671 -2.043 -0.101) 3.364 7.116 ( 0.349 -3.910 0.274) 3.935 7.165 ( 1.440 1.862 -2.609) 3.514 7.183 ( -1.239 -2.466 3.948) 4.818 7.304 ( 0.103 0.666 5.095) 5.140 7.359 ( 2.996 -0.558 2.380) 3.867 7.423 ( 6.758 0.097 -2.849) 7.334 7.616 ( 4.092 -3.111 -6.587) 8.355 7.692 ( -5.405 -0.010 3.458) 6.416 7.718 ( 2.853 0.256 0.732) 2.956 7.868 ( 1.086 4.520 -3.311) 5.707 7.886 ( -3.395 -2.226 0.065) 4.060 8.009 ( 0.572 -1.216 -2.511) 2.848 8.083 ( 2.443 7.777 2.836) 8.631 8.246 ( 1.630 -0.929 3.111) 3.633 8.305 ( 3.877 1.381 -1.152) 4.274 8.360 ( -1.489 1.638 -0.759) 2.340 8.435 ( -1.064 -0.488 -1.681) 2.048 8.615 ( -3.281 -1.501 3.763) 5.213 8.706 ( 0.760 4.091 2.030) 4.629 8.759 ( -3.239 -0.114 -2.832) 4.304 8.855 ( -0.865 3.250 0.776) 3.452 12.067 ( -0.157 5.696 0.134) 5.700 12.096 ( -2.443 9.239 -0.735) 9.585 13.108 ( -0.584 -8.498 -4.772) 9.763 13.313 ( 2.791 -3.371 -3.536) 5.627 13.780 ( 3.633 -3.300 1.233) 5.060 13.849 ( -0.324 -1.191 -1.202) 1.723 13.898 ( 0.213 0.936 0.420) 1.048 13.945 ( 0.502 -0.422 1.212) 1.378 14.189 ( 11.848 -2.513 3.345) 12.565 14.303 ( 3.961 11.637 2.655) 12.576 14.542 ( 1.640 17.594 8.874) 19.774 15.188 ( -21.376 -15.592 -13.936) 29.904 15.992 ( 0.368 -0.964 -0.143) 1.042 15.999 ( 0.194 -0.735 -1.051) 1.298 16.032 ( 0.585 -0.226 0.608) 0.874 16.078 ( -0.833 0.388 -1.793) 2.014 16.173 ( 1.230 1.285 0.818) 1.957 16.186 ( 1.322 1.189 -0.006) 1.778 16.291 ( 4.866 0.027 3.181) 5.814 16.361 ( 4.452 0.421 1.507) 4.719 17.692 ( 8.078 5.075 3.172) 10.053 17.755 ( 1.450 -2.170 -0.732) 2.711 17.927 ( -5.742 -2.625 -1.889) 6.590 17.975 ( -3.172 0.823 3.960) 5.140 18.291 ( 6.286 1.162 2.398) 6.827 18.392 ( -0.911 -8.197 -6.906) 10.758 18.531 ( -8.474 -10.528 -1.511) 13.599 18.604 ( -4.300 2.599 0.698) 5.073 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 19.639 -0.000) 19.639 1.319 ( -0.000 18.199 0.000) 18.199 1.528 ( -0.000 3.871 -0.000) 3.871 1.672 ( 0.000 14.550 0.000) 14.550 1.746 ( 0.000 5.016 0.000) 5.016 1.778 ( 0.000 3.244 -0.000) 3.244 1.968 ( -0.000 -0.467 0.000) 0.467 2.370 ( -0.000 2.676 0.000) 2.676 2.372 ( 0.000 -4.711 -0.000) 4.711 2.574 ( 0.000 1.076 0.000) 1.076 2.602 ( 0.000 0.508 0.000) 0.508 2.609 ( -0.000 5.198 0.000) 5.198 2.686 ( -0.000 4.652 -0.000) 4.652 2.746 ( 0.000 -5.698 -0.000) 5.698 2.854 ( 0.000 -5.320 0.000) 5.320 2.969 ( 0.000 3.458 0.000) 3.458 2.989 ( -0.000 -1.805 -0.000) 1.805 3.160 ( 0.000 -4.305 -0.000) 4.305 3.222 ( 0.000 8.167 0.000) 8.167 3.282 ( -0.000 -1.515 -0.000) 1.515 3.382 ( -0.000 -8.490 -0.000) 8.490 3.403 ( 0.000 -2.265 0.000) 2.265 3.722 ( 0.000 3.881 -0.000) 3.881 3.725 ( -0.000 5.188 0.000) 5.188 3.830 ( 0.000 6.541 0.000) 6.541 3.897 ( 0.000 -4.756 -0.000) 4.756 3.918 ( -0.000 -4.073 0.000) 4.073 3.976 ( 0.000 3.187 -0.000) 3.187 4.062 ( 0.000 1.336 0.000) 1.336 4.155 ( 0.000 -4.944 0.000) 4.944 4.263 ( 0.000 2.262 -0.000) 2.262 4.326 ( -0.000 5.038 -0.000) 5.038 4.341 ( 0.000 2.708 0.000) 2.708 4.502 ( 0.000 3.651 0.000) 3.651 4.515 ( -0.000 2.293 0.000) 2.293 4.576 ( -0.000 3.500 0.000) 3.500 4.590 ( 0.000 -3.781 -0.000) 3.781 4.666 ( 0.000 1.801 -0.000) 1.801 4.879 ( 0.000 0.535 0.000) 0.535 4.934 ( -0.000 -5.729 0.000) 5.729 4.979 ( -0.000 2.673 -0.000) 2.673 5.082 ( -0.000 -1.884 -0.000) 1.884 5.121 ( -0.000 -0.326 -0.000) 0.326 5.229 ( 0.000 -3.858 -0.000) 3.858 5.249 ( -0.000 6.438 0.000) 6.438 5.334 ( -0.000 -0.436 -0.000) 0.436 5.589 ( 0.000 2.168 0.000) 2.168 5.654 ( -0.000 -2.905 -0.000) 2.905 5.782 ( -0.000 -7.451 0.000) 7.451 5.822 ( 0.000 -2.177 0.000) 2.177 5.915 ( 0.000 -0.438 -0.000) 0.438 6.127 ( 0.000 -0.977 0.000) 0.977 6.295 ( 0.000 0.118 0.000) 0.118 6.300 ( -0.000 4.028 -0.000) 4.028 6.422 ( 0.000 0.534 0.000) 0.534 6.612 ( -0.000 -5.945 0.000) 5.945 6.832 ( -0.000 -7.526 0.000) 7.526 6.906 ( 0.000 -1.011 -0.000) 1.011 6.988 ( 0.000 -1.036 0.000) 1.036 7.115 ( -0.000 -3.763 0.000) 3.763 7.177 ( 0.000 -0.722 -0.000) 0.722 7.189 ( -0.000 -4.335 0.000) 4.335 7.347 ( 0.000 -0.292 0.000) 0.292 7.407 ( 0.000 -0.226 -0.000) 0.226 7.493 ( -0.000 -2.164 0.000) 2.164 7.619 ( 0.000 1.700 -0.000) 1.700 7.622 ( -0.000 -1.187 0.000) 1.187 7.753 ( -0.000 5.801 -0.000) 5.801 7.829 ( -0.000 -1.026 0.000) 1.026 7.886 ( 0.000 0.429 -0.000) 0.429 7.999 ( -0.000 -1.249 0.000) 1.249 8.130 ( -0.000 8.172 -0.000) 8.172 8.279 ( 0.000 -1.304 -0.000) 1.304 8.322 ( 0.000 -0.018 0.000) 0.018 8.378 ( -0.000 1.695 -0.000) 1.695 8.409 ( 0.000 -0.266 0.000) 0.266 8.577 ( 0.000 -2.024 0.000) 2.024 8.706 ( -0.000 0.737 0.000) 0.737 8.732 ( 0.000 4.238 0.000) 4.238 8.851 ( 0.000 3.874 -0.000) 3.874 12.061 ( 0.000 6.042 0.000) 6.042 12.079 ( -0.000 6.816 0.000) 6.816 13.075 ( 0.000 -7.570 0.000) 7.570 13.318 ( -0.000 -1.939 -0.000) 1.939 13.822 ( 0.000 -2.010 0.000) 2.010 13.824 ( -0.000 -4.823 -0.000) 4.823 13.902 ( 0.000 1.085 0.000) 1.085 13.962 ( 0.000 1.083 -0.000) 1.083 14.330 ( 0.000 13.569 -0.000) 13.569 14.547 ( 0.000 10.752 0.000) 10.752 14.575 ( -0.000 -4.431 -0.000) 4.431 14.742 ( -0.000 -6.614 -0.000) 6.614 15.994 ( 0.000 -0.941 0.000) 0.941 15.998 ( 0.000 -1.956 -0.000) 1.956 16.048 ( 0.000 -0.872 0.000) 0.872 16.052 ( -0.000 -1.406 -0.000) 1.406 16.184 ( -0.000 1.632 -0.000) 1.632 16.196 ( 0.000 1.611 0.000) 1.611 16.392 ( 0.000 0.162 0.000) 0.162 16.420 ( 0.000 0.112 0.000) 0.112 17.754 ( -0.000 -6.233 0.000) 6.233 17.837 ( 0.000 -0.588 0.000) 0.588 17.853 ( -0.000 4.547 0.000) 4.547 17.895 ( 0.000 -0.332 -0.000) 0.332 18.362 ( 0.000 -6.088 0.000) 6.088 18.420 ( -0.000 -12.668 0.000) 12.668 18.459 ( 0.000 3.204 0.000) 3.204 18.487 ( -0.000 3.687 -0.000) 3.687 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 23.996 0.000) 23.996 1.403 ( 0.000 31.054 0.000) 31.054 1.459 ( 0.000 34.222 0.000) 34.222 1.819 ( 0.000 5.443 0.000) 5.443 2.017 ( 0.000 0.770 0.000) 0.770 2.146 ( 0.000 1.910 0.000) 1.910 2.237 ( 0.000 7.222 0.000) 7.222 2.312 ( 0.000 -2.724 0.000) 2.724 2.335 ( 0.000 9.918 0.000) 9.918 2.392 ( 0.000 2.135 0.000) 2.135 2.686 ( 0.000 5.742 0.000) 5.742 2.754 ( 0.000 11.490 0.000) 11.490 2.821 ( 0.000 8.757 0.000) 8.757 2.898 ( 0.000 5.097 0.000) 5.097 2.957 ( 0.000 -6.014 0.000) 6.014 2.993 ( 0.000 -4.396 0.000) 4.396 3.060 ( 0.000 5.145 0.000) 5.145 3.090 ( 0.000 8.283 0.000) 8.283 3.116 ( 0.000 -12.681 0.000) 12.681 3.307 ( 0.000 -0.372 0.000) 0.372 3.410 ( 0.000 2.636 0.000) 2.636 3.506 ( 0.000 0.522 0.000) 0.522 3.657 ( 0.000 -3.396 0.000) 3.396 3.736 ( 0.000 -3.295 0.000) 3.295 3.823 ( 0.000 -2.929 0.000) 2.929 3.875 ( 0.000 3.747 0.000) 3.747 3.947 ( 0.000 -4.785 0.000) 4.785 4.102 ( 0.000 -1.712 0.000) 1.712 4.126 ( 0.000 -1.392 0.000) 1.392 4.247 ( 0.000 -0.727 0.000) 0.727 4.328 ( 0.000 -0.287 0.000) 0.287 4.345 ( 0.000 -3.206 0.000) 3.206 4.448 ( 0.000 -8.832 0.000) 8.832 4.505 ( 0.000 2.731 0.000) 2.731 4.588 ( 0.000 4.572 0.000) 4.572 4.600 ( 0.000 1.440 0.000) 1.440 4.701 ( 0.000 0.895 0.000) 0.895 4.717 ( 0.000 -2.156 0.000) 2.156 4.756 ( 0.000 6.329 0.000) 6.329 4.932 ( 0.000 -2.041 0.000) 2.041 5.016 ( 0.000 -1.970 0.000) 1.970 5.134 ( 0.000 -0.548 0.000) 0.548 5.170 ( 0.000 -2.062 0.000) 2.062 5.269 ( 0.000 1.725 0.000) 1.725 5.273 ( 0.000 0.025 0.000) 0.025 5.358 ( 0.000 -3.168 0.000) 3.168 5.483 ( 0.000 -5.665 0.000) 5.665 5.488 ( 0.000 -3.865 0.000) 3.865 5.740 ( 0.000 2.999 0.000) 2.999 5.803 ( 0.000 -4.687 0.000) 4.687 5.805 ( 0.000 2.468 0.000) 2.468 5.923 ( 0.000 1.150 0.000) 1.150 6.255 ( 0.000 4.706 0.000) 4.706 6.354 ( 0.000 -1.110 0.000) 1.110 6.559 ( 0.000 -4.186 0.000) 4.186 6.683 ( 0.000 -10.584 0.000) 10.584 6.694 ( 0.000 2.536 0.000) 2.536 6.868 ( 0.000 -3.687 0.000) 3.687 6.971 ( 0.000 -3.368 0.000) 3.368 7.076 ( 0.000 -4.563 0.000) 4.563 7.132 ( 0.000 -1.737 0.000) 1.737 7.151 ( 0.000 0.973 0.000) 0.973 7.233 ( 0.000 -0.651 0.000) 0.651 7.282 ( 0.000 -3.248 0.000) 3.248 7.353 ( 0.000 -3.318 0.000) 3.318 7.435 ( 0.000 6.465 0.000) 6.465 7.578 ( 0.000 2.312 0.000) 2.312 7.814 ( 0.000 -7.571 0.000) 7.571 7.892 ( 0.000 3.480 0.000) 3.480 7.911 ( 0.000 3.426 0.000) 3.426 8.044 ( 0.000 1.379 0.000) 1.379 8.164 ( 0.000 5.152 0.000) 5.152 8.259 ( 0.000 3.468 0.000) 3.468 8.289 ( 0.000 3.406 0.000) 3.406 8.415 ( 0.000 0.211 0.000) 0.211 8.548 ( 0.000 -0.490 0.000) 0.490 8.651 ( 0.000 5.074 0.000) 5.074 8.663 ( 0.000 2.812 0.000) 2.812 8.837 ( 0.000 3.212 0.000) 3.212 8.891 ( 0.000 -3.614 0.000) 3.614 12.202 ( 0.000 7.191 0.000) 7.191 12.661 ( 0.000 1.610 0.000) 1.610 12.849 ( 0.000 -1.563 0.000) 1.563 12.960 ( 0.000 -11.471 0.000) 11.471 13.705 ( 0.000 5.171 0.000) 5.171 13.885 ( 0.000 1.746 0.000) 1.746 13.927 ( 0.000 3.508 0.000) 3.508 14.019 ( 0.000 0.716 0.000) 0.716 14.095 ( 0.000 -0.850 0.000) 0.850 14.467 ( 0.000 14.709 0.000) 14.709 14.530 ( 0.000 20.733 0.000) 20.733 15.247 ( 0.000 -24.789 0.000) 24.789 15.983 ( 0.000 0.167 0.000) 0.167 15.987 ( 0.000 0.521 0.000) 0.521 16.043 ( 0.000 -0.240 0.000) 0.240 16.067 ( 0.000 0.307 0.000) 0.307 16.188 ( 0.000 1.483 0.000) 1.483 16.220 ( 0.000 1.013 0.000) 1.013 16.378 ( 0.000 0.148 0.000) 0.148 16.457 ( 0.000 -1.152 0.000) 1.152 17.618 ( 0.000 13.347 0.000) 13.347 17.703 ( 0.000 -2.858 0.000) 2.858 17.868 ( 0.000 4.007 0.000) 4.007 17.988 ( 0.000 -3.165 0.000) 3.165 18.136 ( 0.000 -6.120 0.000) 6.120 18.338 ( 0.000 -13.526 0.000) 13.526 18.483 ( 0.000 -1.920 0.000) 1.920 18.539 ( 0.000 -12.070 0.000) 12.070 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 13.216 18.950 14.226) 27.132 1.503 ( 0.302 30.538 13.870) 33.541 1.585 ( 18.709 23.918 -2.588) 30.476 1.790 ( 3.332 4.086 -7.315) 9.017 2.004 ( -7.131 1.544 1.055) 7.372 2.046 ( -3.835 6.098 -4.246) 8.362 2.243 ( -0.655 1.118 -7.657) 7.766 2.282 ( 3.179 2.599 -0.480) 4.134 2.388 ( 0.124 0.110 7.501) 7.502 2.412 ( 2.172 6.015 -2.120) 6.738 2.620 ( -7.703 10.044 -1.661) 12.766 2.710 ( -4.103 0.588 2.294) 4.737 2.792 ( -4.683 1.874 -1.364) 5.225 2.852 ( -5.378 6.852 -0.309) 8.716 2.873 ( -2.384 3.736 -7.391) 8.618 2.950 ( 0.077 1.009 -2.537) 2.732 3.014 ( -0.710 -8.575 0.203) 8.607 3.098 ( -2.586 -2.194 5.580) 6.530 3.156 ( 2.835 -0.242 3.667) 4.642 3.349 ( -4.080 3.057 -0.489) 5.121 3.412 ( 3.820 4.679 -1.218) 6.162 3.512 ( 0.565 1.370 1.502) 2.110 3.667 ( 2.262 -0.738 -2.074) 3.156 3.796 ( -0.373 -1.864 -1.738) 2.575 3.819 ( 4.657 -2.341 0.914) 5.292 3.903 ( 0.534 -0.829 2.248) 2.455 3.955 ( 0.376 -1.723 2.437) 3.008 4.079 ( -0.106 -0.667 -3.054) 3.128 4.157 ( 2.736 -2.519 1.162) 3.896 4.206 ( -5.678 -3.356 -3.567) 7.498 4.242 ( -1.068 -1.698 -1.445) 2.472 4.344 ( -0.694 1.132 0.631) 1.470 4.426 ( -2.547 1.028 -1.591) 3.174 4.473 ( -4.231 4.036 -2.108) 6.216 4.512 ( 0.179 0.244 -3.479) 3.492 4.586 ( 0.179 1.292 -0.612) 1.441 4.687 ( 0.414 3.554 -3.556) 5.044 4.730 ( 1.038 3.872 -1.601) 4.316 4.775 ( 2.830 -1.981 2.650) 4.354 4.948 ( -4.194 0.235 3.741) 5.625 5.014 ( -0.811 -1.780 0.250) 1.972 5.101 ( -2.494 -0.298 1.109) 2.746 5.183 ( 2.013 -0.546 3.677) 4.227 5.262 ( -0.837 -3.910 -0.175) 4.003 5.330 ( 0.627 -0.408 -2.747) 2.847 5.388 ( 2.888 -3.871 -1.123) 4.958 5.471 ( -1.906 0.762 -0.276) 2.071 5.504 ( 4.427 -5.213 0.036) 6.840 5.731 ( -2.474 -1.081 2.167) 3.462 5.771 ( -3.429 -3.029 2.657) 5.291 5.851 ( 0.257 -0.056 2.980) 2.991 5.945 ( 1.581 1.666 4.974) 5.478 6.198 ( -2.352 3.617 0.420) 4.335 6.384 ( 1.661 -0.023 -0.101) 1.664 6.607 ( -2.322 -2.430 4.665) 5.749 6.616 ( -0.604 -7.790 -6.395) 10.097 6.705 ( 2.108 -3.693 -2.964) 5.183 6.871 ( -0.676 -4.428 0.986) 4.587 6.919 ( -4.275 -3.087 0.989) 5.365 7.096 ( 0.993 -3.160 -0.334) 3.330 7.172 ( -1.484 -0.924 3.014) 3.484 7.222 ( 0.174 -1.634 4.600) 4.885 7.232 ( 3.662 0.545 4.477) 5.810 7.293 ( 1.872 -0.278 -3.214) 3.730 7.325 ( 3.204 -2.802 -6.905) 8.112 7.518 ( 4.991 2.138 0.074) 5.430 7.566 ( 3.078 1.109 -0.314) 3.286 7.796 ( -3.900 -0.200 1.109) 4.060 7.856 ( 0.686 -2.940 -1.432) 3.341 7.965 ( 2.356 2.559 -0.695) 3.547 8.052 ( 0.400 4.138 -0.603) 4.201 8.153 ( -1.388 3.857 1.745) 4.455 8.226 ( -2.362 1.524 -0.759) 2.912 8.301 ( 2.080 2.673 0.121) 3.389 8.433 ( 0.230 -0.906 -0.200) 0.956 8.468 ( -3.746 2.196 -3.364) 5.493 8.607 ( -1.340 0.118 2.343) 2.702 8.771 ( 3.576 6.571 1.850) 7.706 8.814 ( -1.984 -0.935 -1.505) 2.660 8.903 ( 1.145 1.818 1.355) 2.540 12.199 ( -0.532 6.966 0.465) 7.002 12.459 ( -10.955 8.815 -1.766) 14.172 12.947 ( -0.067 -11.006 -2.395) 11.263 13.048 ( 12.158 -7.946 -0.538) 14.534 13.710 ( 0.178 4.114 1.596) 4.416 13.847 ( -1.344 0.564 -1.319) 1.966 13.921 ( -0.187 1.919 -0.440) 1.977 13.980 ( -3.458 0.150 -3.243) 4.743 14.075 ( 0.379 -0.278 -0.612) 0.771 14.512 ( 6.506 19.834 3.335) 21.139 14.735 ( 8.546 20.173 10.802) 24.427 15.149 ( -7.857 -23.711 -6.309) 25.763 15.985 ( 0.043 0.101 -0.504) 0.516 16.013 ( 1.332 0.180 0.703) 1.517 16.058 ( 2.098 -0.512 1.919) 2.889 16.090 ( -1.198 0.872 2.133) 2.597 16.120 ( -2.243 1.275 -2.389) 3.516 16.225 ( -0.060 1.085 -2.731) 2.939 16.320 ( -2.399 0.393 -2.048) 3.179 16.340 ( -4.180 0.776 -4.341) 6.076 17.680 ( 2.908 5.418 0.714) 6.191 17.699 ( 0.758 -1.086 0.275) 1.353 17.939 ( 0.659 -0.417 3.432) 3.519 17.969 ( -0.936 0.768 2.898) 3.141 18.174 ( 3.866 -3.064 0.933) 5.020 18.272 ( -2.852 -14.096 -6.697) 15.865 18.450 ( -6.158 -14.440 -2.565) 15.906 18.589 ( 3.951 -0.336 5.318) 6.634 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 3.224 20.018 17.605) 26.852 1.662 ( 9.552 24.339 -3.273) 26.350 1.718 ( 6.339 0.940 -12.794) 14.309 1.826 ( -7.430 3.586 -10.797) 13.588 1.857 ( -5.121 2.387 -0.332) 5.660 2.044 ( 8.146 14.434 6.590) 17.836 2.144 ( -2.484 6.167 -11.368) 13.169 2.251 ( -7.431 -10.656 0.892) 13.022 2.437 ( -1.679 4.985 1.925) 5.602 2.468 ( -3.052 -3.793 2.460) 5.455 2.525 ( 2.547 5.003 8.909) 10.530 2.603 ( 0.078 0.594 2.077) 2.161 2.709 ( -2.350 -1.677 3.800) 4.772 2.824 ( -0.970 7.530 -3.360) 8.302 2.835 ( 3.708 2.663 -4.218) 6.215 2.921 ( 0.253 2.244 1.089) 2.507 2.996 ( -2.522 -4.826 0.183) 5.449 3.113 ( 0.742 -1.230 -0.190) 1.449 3.206 ( -1.520 5.958 3.929) 7.297 3.303 ( -1.199 1.851 3.986) 4.555 3.418 ( -2.437 -0.918 -1.157) 2.850 3.515 ( 0.954 4.459 -3.705) 5.875 3.683 ( 2.450 0.808 -1.538) 3.004 3.792 ( 0.418 -3.370 -2.065) 3.974 3.862 ( -0.786 0.948 3.014) 3.256 3.934 ( -2.982 0.031 -2.919) 4.173 3.963 ( -0.183 1.586 5.252) 5.489 4.046 ( -3.419 3.780 -1.385) 5.282 4.090 ( 1.447 -0.299 -3.260) 3.579 4.162 ( -0.179 1.780 -5.254) 5.550 4.294 ( 4.441 -0.159 2.488) 5.093 4.332 ( -0.803 3.157 0.592) 3.311 4.402 ( 2.457 -1.658 -2.101) 3.633 4.449 ( 2.044 3.513 0.672) 4.120 4.506 ( 1.214 -1.018 0.261) 1.606 4.599 ( -1.630 3.087 1.613) 3.846 4.658 ( 1.515 1.711 -1.396) 2.678 4.723 ( -0.206 3.708 -3.416) 5.046 4.812 ( -0.062 -3.381 -1.536) 3.714 4.899 ( -4.677 0.693 8.041) 9.328 5.025 ( 2.133 -1.024 -0.466) 2.412 5.094 ( -0.336 -1.487 0.881) 1.761 5.169 ( -5.853 2.337 -5.506) 8.369 5.232 ( 0.727 -0.105 0.362) 0.819 5.291 ( -2.141 -0.345 -1.322) 2.540 5.419 ( 0.612 -2.533 -1.172) 2.857 5.463 ( 1.683 -4.300 4.325) 6.327 5.560 ( 0.866 -4.269 -1.166) 4.510 5.689 ( -2.560 -4.821 -1.958) 5.799 5.755 ( -0.486 -1.834 3.433) 3.922 5.877 ( -0.150 -1.086 3.415) 3.587 6.047 ( 2.130 -2.041 2.335) 3.762 6.227 ( 3.597 5.121 3.926) 7.388 6.380 ( -1.568 -2.272 -3.022) 4.093 6.514 ( -1.337 -6.311 -1.427) 6.607 6.577 ( -4.007 2.332 -1.249) 4.802 6.715 ( 1.141 -4.548 -2.870) 5.498 6.866 ( -1.666 -1.965 2.782) 3.791 6.890 ( -0.937 -8.500 1.579) 8.696 7.067 ( -2.515 -1.309 -2.575) 3.830 7.150 ( -2.286 -2.212 4.388) 5.420 7.191 ( -1.552 -0.069 -0.170) 1.563 7.271 ( 0.311 -0.928 -0.903) 1.332 7.371 ( 4.555 -2.787 -2.828) 6.043 7.425 ( 4.279 3.495 4.382) 7.052 7.555 ( 6.149 -3.345 -5.471) 8.885 7.684 ( 1.222 -0.308 1.852) 2.240 7.763 ( 1.038 2.179 2.430) 3.425 7.855 ( -0.554 -0.332 2.541) 2.621 7.969 ( 0.175 4.313 -5.746) 7.187 7.992 ( -1.806 1.163 -3.972) 4.515 8.177 ( 0.240 2.099 3.521) 4.106 8.217 ( -0.753 -2.076 3.806) 4.400 8.326 ( -2.045 -0.837 2.538) 3.365 8.391 ( 2.500 2.267 -3.527) 4.882 8.449 ( 0.893 1.961 -2.181) 3.066 8.596 ( -2.596 -0.250 1.626) 3.073 8.747 ( -1.668 -0.100 -2.204) 2.766 8.829 ( 0.765 6.647 1.328) 6.821 8.943 ( 1.130 5.552 1.229) 5.798 12.194 ( -0.487 6.579 0.381) 6.608 12.300 ( -4.772 10.627 -0.990) 11.691 12.916 ( -0.472 -10.236 -2.409) 10.526 13.206 ( 5.578 -7.277 -1.190) 9.246 13.737 ( 1.293 -1.068 -0.195) 1.688 13.840 ( -1.182 -0.003 -2.356) 2.636 13.904 ( 0.949 -1.488 3.747) 4.142 13.930 ( -0.050 1.209 -0.357) 1.262 14.127 ( 4.826 -2.813 4.339) 7.073 14.672 ( 5.238 23.754 2.987) 24.507 14.833 ( -15.055 -18.272 -12.816) 26.922 14.959 ( 5.181 23.166 6.677) 24.659 15.971 ( -0.526 -0.652 -1.306) 1.552 16.006 ( -1.636 0.803 -0.868) 2.018 16.034 ( -0.698 0.201 0.770) 1.058 16.088 ( -0.992 0.567 -3.080) 3.286 16.181 ( 1.050 -0.285 2.135) 2.396 16.198 ( 1.509 0.036 1.946) 2.463 16.287 ( 3.588 -0.433 2.809) 4.577 16.372 ( 3.782 0.477 1.579) 4.126 17.636 ( -3.838 -8.718 -2.493) 9.847 17.791 ( 5.142 2.729 0.960) 5.900 17.870 ( -3.375 -2.815 -2.331) 4.975 17.985 ( -3.859 -0.370 2.437) 4.579 18.138 ( -2.085 -17.372 -7.631) 19.088 18.290 ( -6.723 -11.758 -1.937) 13.682 18.353 ( 9.329 4.895 5.589) 11.926 18.653 ( -1.563 2.017 1.486) 2.953 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 5.251 -0.000) 5.251 1.651 ( 0.000 18.358 0.000) 18.358 1.729 ( 0.000 11.987 -0.000) 11.987 1.829 ( -0.000 6.690 0.000) 6.690 1.834 ( 0.000 2.678 -0.000) 2.678 1.994 ( 0.000 11.400 -0.000) 11.400 1.997 ( -0.000 4.728 0.000) 4.728 2.243 ( 0.000 -9.156 -0.000) 9.156 2.421 ( 0.000 2.512 -0.000) 2.512 2.426 ( 0.000 -6.811 -0.000) 6.811 2.576 ( -0.000 -3.442 0.000) 3.442 2.718 ( 0.000 3.543 0.000) 3.543 2.738 ( 0.000 4.217 -0.000) 4.217 2.787 ( -0.000 6.167 0.000) 6.167 2.884 ( 0.000 -7.306 -0.000) 7.306 2.884 ( -0.000 7.190 0.000) 7.190 3.048 ( 0.000 4.540 0.000) 4.540 3.114 ( -0.000 -3.186 -0.000) 3.186 3.220 ( 0.000 1.891 0.000) 1.891 3.312 ( -0.000 0.279 -0.000) 0.279 3.334 ( -0.000 0.943 -0.000) 0.943 3.501 ( 0.000 10.541 0.000) 10.541 3.733 ( 0.000 -3.488 0.000) 3.488 3.776 ( -0.000 -1.204 -0.000) 1.204 3.814 ( -0.000 -2.380 -0.000) 2.380 3.867 ( 0.000 4.132 0.000) 4.132 4.003 ( -0.000 -1.438 0.000) 1.438 4.017 ( 0.000 7.256 -0.000) 7.256 4.090 ( 0.000 3.019 0.000) 3.019 4.170 ( 0.000 7.977 0.000) 7.977 4.302 ( -0.000 1.657 -0.000) 1.657 4.364 ( 0.000 -0.428 -0.000) 0.428 4.372 ( -0.000 1.024 0.000) 1.024 4.510 ( 0.000 -3.524 -0.000) 3.524 4.540 ( 0.000 -0.418 0.000) 0.418 4.630 ( -0.000 6.844 -0.000) 6.844 4.634 ( 0.000 2.152 0.000) 2.152 4.705 ( 0.000 1.437 0.000) 1.437 4.802 ( 0.000 -5.418 0.000) 5.418 4.902 ( 0.000 0.781 0.000) 0.781 5.037 ( 0.000 -0.509 -0.000) 0.509 5.067 ( 0.000 4.010 -0.000) 4.010 5.115 ( -0.000 -0.297 -0.000) 0.297 5.165 ( 0.000 -3.474 0.000) 3.474 5.346 ( 0.000 1.889 0.000) 1.889 5.371 ( -0.000 5.004 -0.000) 5.004 5.520 ( -0.000 -11.046 -0.000) 11.046 5.571 ( -0.000 -4.775 0.000) 4.775 5.633 ( 0.000 -4.954 0.000) 4.954 5.777 ( -0.000 -1.975 0.000) 1.975 5.901 ( 0.000 -0.927 -0.000) 0.927 6.053 ( 0.000 -6.283 0.000) 6.283 6.301 ( 0.000 -1.156 0.000) 1.156 6.375 ( -0.000 2.141 -0.000) 2.141 6.461 ( -0.000 2.369 -0.000) 2.369 6.542 ( 0.000 1.549 0.000) 1.549 6.696 ( -0.000 -5.893 -0.000) 5.893 6.867 ( 0.000 -1.967 -0.000) 1.967 6.885 ( -0.000 -8.814 0.000) 8.814 7.030 ( 0.000 -2.337 0.000) 2.337 7.161 ( 0.000 -2.984 -0.000) 2.984 7.167 ( -0.000 0.479 0.000) 0.479 7.277 ( -0.000 -1.725 0.000) 1.725 7.393 ( 0.000 -3.925 -0.000) 3.925 7.475 ( 0.000 3.815 -0.000) 3.815 7.618 ( 0.000 -4.572 0.000) 4.572 7.660 ( -0.000 2.301 0.000) 2.301 7.838 ( 0.000 3.287 0.000) 3.287 7.874 ( -0.000 0.174 -0.000) 0.174 7.884 ( 0.000 5.439 -0.000) 5.439 7.971 ( -0.000 -1.839 0.000) 1.839 8.204 ( -0.000 0.430 -0.000) 0.430 8.230 ( 0.000 -3.474 -0.000) 3.474 8.314 ( -0.000 -1.100 0.000) 1.100 8.417 ( -0.000 1.165 0.000) 1.165 8.442 ( 0.000 3.591 -0.000) 3.591 8.566 ( 0.000 0.844 -0.000) 0.844 8.723 ( -0.000 0.737 0.000) 0.737 8.840 ( 0.000 6.716 0.000) 6.716 8.959 ( 0.000 6.632 -0.000) 6.632 12.190 ( 0.000 6.533 0.000) 6.533 12.254 ( 0.000 10.240 0.000) 10.240 12.897 ( 0.000 -9.797 0.000) 9.797 13.246 ( -0.000 -5.583 -0.000) 5.583 13.753 ( 0.000 -2.400 -0.000) 2.400 13.797 ( 0.000 -0.964 0.000) 0.964 13.929 ( 0.000 1.461 0.000) 1.461 13.951 ( 0.000 -1.153 -0.000) 1.153 14.371 ( 0.000 -14.450 0.000) 14.450 14.438 ( -0.000 -7.233 -0.000) 7.233 14.741 ( 0.000 25.148 -0.000) 25.148 15.039 ( 0.000 23.825 -0.000) 23.825 15.958 ( 0.000 -1.278 -0.000) 1.278 15.986 ( 0.000 0.309 0.000) 0.309 16.037 ( 0.000 -0.435 0.000) 0.435 16.055 ( -0.000 0.672 -0.000) 0.672 16.196 ( -0.000 -0.211 0.000) 0.211 16.211 ( 0.000 0.203 -0.000) 0.203 16.396 ( 0.000 0.303 0.000) 0.303 16.425 ( 0.000 0.322 0.000) 0.322 17.558 ( 0.000 -13.820 -0.000) 13.820 17.822 ( 0.000 -1.168 0.000) 1.168 17.885 ( -0.000 -0.636 -0.000) 0.636 17.920 ( 0.000 1.660 0.000) 1.660 18.074 ( -0.000 -21.387 0.000) 21.387 18.212 ( -0.000 -8.351 0.000) 8.351 18.546 ( 0.000 5.072 0.000) 5.072 18.574 ( -0.000 4.610 -0.000) 4.610 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 23.118 0.000) 23.118 1.850 ( 0.000 -1.069 0.000) 1.069 1.862 ( 0.000 3.235 0.000) 3.235 2.001 ( 0.000 11.072 0.000) 11.072 2.067 ( 0.000 26.377 0.000) 26.377 2.202 ( 0.000 2.817 0.000) 2.817 2.230 ( 0.000 -4.041 0.000) 4.041 2.275 ( 0.000 -2.654 0.000) 2.654 2.521 ( 0.000 9.084 0.000) 9.084 2.576 ( 0.000 13.478 0.000) 13.478 2.693 ( 0.000 -17.608 0.000) 17.608 2.788 ( 0.000 3.667 0.000) 3.667 2.807 ( 0.000 -9.992 0.000) 9.992 2.878 ( 0.000 -0.276 0.000) 0.276 2.936 ( 0.000 2.664 0.000) 2.664 3.078 ( 0.000 15.842 0.000) 15.842 3.103 ( 0.000 6.497 0.000) 6.497 3.211 ( 0.000 6.882 0.000) 6.882 3.229 ( 0.000 4.885 0.000) 4.885 3.364 ( 0.000 5.120 0.000) 5.120 3.373 ( 0.000 -6.673 0.000) 6.673 3.527 ( 0.000 1.306 0.000) 1.306 3.583 ( 0.000 -3.639 0.000) 3.639 3.698 ( 0.000 -1.128 0.000) 1.128 3.845 ( 0.000 6.195 0.000) 6.195 3.849 ( 0.000 -3.979 0.000) 3.979 3.981 ( 0.000 3.685 0.000) 3.685 4.006 ( 0.000 -8.351 0.000) 8.351 4.071 ( 0.000 -4.930 0.000) 4.930 4.147 ( 0.000 -7.298 0.000) 7.298 4.274 ( 0.000 1.558 0.000) 1.558 4.320 ( 0.000 -2.638 0.000) 2.638 4.401 ( 0.000 3.439 0.000) 3.439 4.553 ( 0.000 1.309 0.000) 1.309 4.622 ( 0.000 -0.192 0.000) 0.192 4.675 ( 0.000 -2.109 0.000) 2.109 4.710 ( 0.000 6.111 0.000) 6.111 4.755 ( 0.000 5.275 0.000) 5.275 4.855 ( 0.000 0.509 0.000) 0.509 4.914 ( 0.000 -0.407 0.000) 0.407 4.986 ( 0.000 0.670 0.000) 0.670 5.123 ( 0.000 -2.236 0.000) 2.236 5.150 ( 0.000 2.950 0.000) 2.950 5.225 ( 0.000 -2.941 0.000) 2.941 5.310 ( 0.000 1.770 0.000) 1.770 5.334 ( 0.000 0.616 0.000) 0.616 5.409 ( 0.000 -1.579 0.000) 1.579 5.428 ( 0.000 -1.397 0.000) 1.397 5.724 ( 0.000 -2.410 0.000) 2.410 5.763 ( 0.000 -2.069 0.000) 2.069 5.788 ( 0.000 -5.820 0.000) 5.820 5.907 ( 0.000 -1.797 0.000) 1.797 6.263 ( 0.000 -5.430 0.000) 5.430 6.354 ( 0.000 3.221 0.000) 3.221 6.469 ( 0.000 -8.607 0.000) 8.607 6.506 ( 0.000 -1.544 0.000) 1.544 6.741 ( 0.000 1.221 0.000) 1.221 6.797 ( 0.000 -4.082 0.000) 4.082 6.943 ( 0.000 0.787 0.000) 0.787 7.032 ( 0.000 0.547 0.000) 0.547 7.076 ( 0.000 -3.357 0.000) 3.357 7.150 ( 0.000 -0.794 0.000) 0.794 7.179 ( 0.000 -3.038 0.000) 3.038 7.254 ( 0.000 -1.210 0.000) 1.210 7.310 ( 0.000 -0.458 0.000) 0.458 7.576 ( 0.000 5.951 0.000) 5.951 7.634 ( 0.000 2.689 0.000) 2.689 7.636 ( 0.000 -9.041 0.000) 9.041 7.981 ( 0.000 4.804 0.000) 4.804 7.991 ( 0.000 3.816 0.000) 3.816 8.057 ( 0.000 1.197 0.000) 1.197 8.222 ( 0.000 0.732 0.000) 0.732 8.316 ( 0.000 1.273 0.000) 1.273 8.318 ( 0.000 0.182 0.000) 0.182 8.461 ( 0.000 4.821 0.000) 4.821 8.540 ( 0.000 -0.152 0.000) 0.152 8.708 ( 0.000 1.326 0.000) 1.326 8.756 ( 0.000 3.004 0.000) 3.004 8.817 ( 0.000 -1.800 0.000) 1.800 8.901 ( 0.000 2.720 0.000) 2.720 12.332 ( 0.000 6.041 0.000) 6.041 12.698 ( 0.000 2.126 0.000) 2.126 12.744 ( 0.000 -9.296 0.000) 9.296 12.824 ( 0.000 -2.046 0.000) 2.046 13.807 ( 0.000 5.538 0.000) 5.538 13.917 ( 0.000 1.470 0.000) 1.470 14.013 ( 0.000 4.715 0.000) 4.715 14.037 ( 0.000 0.941 0.000) 0.941 14.075 ( 0.000 -0.947 0.000) 0.947 14.768 ( 0.000 -20.635 0.000) 20.635 14.791 ( 0.000 16.928 0.000) 16.928 14.919 ( 0.000 14.918 0.000) 14.918 15.994 ( 0.000 0.069 0.000) 0.069 16.000 ( 0.000 1.485 0.000) 1.485 16.030 ( 0.000 -0.581 0.000) 0.581 16.091 ( 0.000 2.193 0.000) 2.193 16.206 ( 0.000 0.025 0.000) 0.025 16.233 ( 0.000 0.065 0.000) 0.065 16.382 ( 0.000 0.339 0.000) 0.339 16.432 ( 0.000 -1.256 0.000) 1.256 17.640 ( 0.000 -3.172 0.000) 3.172 17.776 ( 0.000 3.981 0.000) 3.981 17.866 ( 0.000 -6.528 0.000) 6.528 18.019 ( 0.000 -5.634 0.000) 5.634 18.063 ( 0.000 10.310 0.000) 10.310 18.081 ( 0.000 -10.026 0.000) 10.026 18.235 ( 0.000 -13.468 0.000) 13.468 18.485 ( 0.000 -2.077 0.000) 2.077 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 9.552 15.858 9.026) 20.596 1.708 ( 0.850 -2.985 -11.658) 12.065 1.937 ( -7.840 -4.811 7.141) 11.645 1.985 ( -3.402 12.103 6.964) 14.372 2.103 ( 2.988 15.949 -2.747) 16.458 2.177 ( -2.052 6.840 0.013) 7.141 2.219 ( 0.560 5.856 1.038) 5.973 2.332 ( 2.189 -0.965 5.637) 6.123 2.391 ( -3.986 4.952 -7.568) 9.883 2.554 ( -3.274 2.423 -0.810) 4.153 2.682 ( -4.618 -5.234 -5.391) 8.820 2.699 ( -4.224 -1.089 -0.717) 4.420 2.764 ( -3.526 -3.389 1.826) 5.221 2.834 ( -4.284 0.028 -4.999) 6.583 2.970 ( -4.713 9.264 1.583) 10.514 3.029 ( 1.406 2.818 5.701) 6.512 3.079 ( 0.924 9.936 -6.621) 11.976 3.134 ( 3.050 5.421 -1.943) 6.517 3.196 ( -2.756 3.510 2.260) 5.002 3.383 ( 0.164 -4.986 -0.083) 4.990 3.445 ( -1.946 4.918 3.204) 6.184 3.584 ( 2.635 1.779 -1.902) 3.705 3.662 ( 6.098 -0.448 3.663) 7.127 3.761 ( -4.001 -0.259 -1.837) 4.410 3.783 ( 7.950 -0.770 1.591) 8.144 3.881 ( 1.201 -0.626 -1.515) 2.032 3.925 ( -2.821 -2.651 2.593) 4.659 4.057 ( 3.901 -2.753 -1.481) 4.999 4.089 ( 2.519 -2.111 -0.822) 3.388 4.168 ( 1.282 0.209 1.295) 1.834 4.263 ( -0.511 2.883 2.179) 3.650 4.330 ( 1.839 -2.292 -1.993) 3.551 4.430 ( 1.011 0.696 -0.444) 1.305 4.533 ( -1.024 1.835 -2.525) 3.285 4.577 ( -3.327 4.588 -0.213) 5.672 4.628 ( -1.505 2.098 -2.542) 3.623 4.729 ( 2.895 1.236 -2.506) 4.024 4.766 ( -0.241 1.709 4.338) 4.668 4.810 ( -1.315 2.552 -5.037) 5.797 4.962 ( 1.006 1.633 4.017) 4.451 4.969 ( -4.343 -2.511 3.604) 6.177 5.095 ( -0.706 -0.568 -0.470) 1.021 5.172 ( -2.607 -3.143 -1.713) 4.428 5.197 ( 1.770 -0.306 1.424) 2.292 5.280 ( 1.072 -3.121 -3.804) 5.036 5.340 ( 0.202 1.198 -2.332) 2.630 5.448 ( 0.101 -1.801 0.931) 2.030 5.495 ( 4.630 1.627 0.149) 4.909 5.687 ( -4.207 -3.565 1.391) 5.687 5.698 ( -1.543 -4.069 -1.770) 4.697 5.826 ( 2.010 -2.666 0.638) 3.399 5.938 ( 1.378 -3.228 2.024) 4.052 6.272 ( -1.229 2.481 1.952) 3.388 6.340 ( 1.452 -2.829 0.506) 3.220 6.457 ( -1.898 -7.022 -1.695) 7.469 6.503 ( -1.123 -4.433 0.376) 4.588 6.709 ( -0.695 0.328 -1.978) 2.122 6.784 ( -1.359 -4.491 -0.812) 4.762 6.919 ( -3.087 3.240 2.733) 5.244 7.059 ( 1.771 -0.258 0.448) 1.845 7.141 ( -1.225 -1.338 2.167) 2.826 7.169 ( 0.516 -2.999 4.700) 5.599 7.224 ( 6.245 -1.962 1.761) 6.779 7.268 ( -0.628 -1.798 0.300) 1.928 7.284 ( 3.159 -0.890 -4.107) 5.258 7.559 ( -2.832 -1.682 -0.041) 3.295 7.642 ( 5.877 5.273 1.071) 7.968 7.707 ( 0.627 -2.450 1.435) 2.908 7.918 ( -1.441 5.063 -3.508) 6.326 8.023 ( 1.284 2.875 -1.299) 3.406 8.079 ( 1.310 -0.281 2.610) 2.933 8.203 ( -2.087 0.836 0.060) 2.249 8.256 ( -4.794 1.127 -2.083) 5.347 8.320 ( -1.760 -0.566 2.238) 2.902 8.445 ( -0.483 2.609 -1.356) 2.980 8.516 ( 0.084 2.164 -5.161) 5.597 8.622 ( -2.210 1.237 0.409) 2.565 8.762 ( -1.938 -3.665 -0.502) 4.176 8.893 ( 4.596 5.485 1.774) 7.373 8.963 ( 4.112 3.214 2.094) 5.623 12.326 ( -0.688 5.978 0.225) 6.022 12.602 ( -6.593 6.165 0.067) 9.026 12.743 ( -0.281 -9.510 -0.915) 9.558 12.918 ( 6.995 -5.664 0.353) 9.008 13.800 ( -2.230 4.990 0.979) 5.553 13.869 ( -2.658 1.437 -2.181) 3.727 13.959 ( -2.260 1.505 -0.982) 2.887 13.983 ( -4.296 0.161 -1.717) 4.629 14.074 ( 1.165 0.745 -1.735) 2.219 14.697 ( -4.808 -20.841 -5.940) 22.197 14.929 ( 10.739 21.178 6.032) 24.500 15.135 ( 12.901 18.103 10.120) 24.425 15.987 ( -0.467 0.178 -0.136) 0.518 16.012 ( 0.319 -0.306 0.411) 0.604 16.044 ( 1.466 -0.646 1.458) 2.166 16.103 ( -0.458 0.899 1.437) 1.756 16.152 ( -3.331 1.498 -1.026) 3.794 16.238 ( -1.321 0.069 -1.389) 1.918 16.321 ( -2.951 -0.189 -2.284) 3.737 16.341 ( -3.733 -0.544 -2.834) 4.718 17.596 ( -4.333 -5.699 -2.283) 7.515 17.785 ( 0.932 2.277 -0.010) 2.461 17.833 ( -2.972 -8.816 -1.786) 9.473 17.984 ( -2.103 -3.088 1.251) 3.940 18.005 ( -3.742 -8.902 -6.576) 11.682 18.179 ( -3.794 -11.941 -2.666) 12.810 18.227 ( 9.729 7.584 6.133) 13.777 18.569 ( 4.810 -1.928 4.725) 7.013 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 5.752 -10.772 -15.614) 19.822 1.788 ( -14.333 -10.558 10.273) 20.553 1.847 ( 0.922 11.453 7.833) 13.906 1.938 ( -10.871 0.015 -6.798) 12.821 1.955 ( -0.866 4.688 -2.201) 5.251 2.119 ( 0.041 10.627 0.896) 10.665 2.217 ( -4.654 0.813 -10.085) 11.137 2.340 ( -4.926 3.295 0.109) 5.927 2.396 ( 2.431 4.463 -2.347) 5.598 2.484 ( -1.039 3.974 9.403) 10.261 2.605 ( -1.040 1.692 -2.098) 2.889 2.699 ( 6.723 4.048 9.485) 12.311 2.725 ( -2.055 2.210 -1.281) 3.278 2.803 ( 3.517 -1.344 -3.595) 5.206 2.902 ( -3.728 6.199 -1.015) 7.304 3.004 ( -0.216 4.769 3.067) 5.674 3.105 ( 1.668 9.869 -5.282) 11.317 3.159 ( 0.276 2.953 -0.300) 2.981 3.257 ( 2.573 1.085 5.925) 6.550 3.350 ( -3.102 -0.697 -1.163) 3.385 3.427 ( -4.223 6.312 6.282) 9.856 3.577 ( 1.131 -2.206 -0.853) 2.621 3.702 ( -0.088 -4.120 -1.536) 4.398 3.744 ( 1.757 7.385 -2.408) 7.964 3.829 ( -2.311 -4.310 -3.290) 5.894 3.929 ( 3.662 -2.315 1.064) 4.461 3.998 ( 3.153 2.536 2.336) 4.672 4.077 ( -0.273 2.369 1.875) 3.034 4.168 ( 4.591 0.135 -1.615) 4.869 4.211 ( 3.393 5.810 1.685) 6.936 4.331 ( 3.873 0.716 5.011) 6.374 4.347 ( 1.779 0.558 -0.923) 2.081 4.430 ( -0.594 2.373 -0.651) 2.531 4.481 ( 1.505 0.962 -2.238) 2.863 4.507 ( -4.652 3.751 -2.917) 6.650 4.636 ( 3.024 1.274 0.793) 3.376 4.729 ( -0.362 4.616 -3.322) 5.699 4.732 ( -1.991 -0.261 -3.706) 4.215 4.819 ( 1.382 1.753 0.712) 2.343 4.890 ( -4.787 -1.173 5.931) 7.712 5.007 ( -0.085 -0.274 -0.777) 0.828 5.073 ( -2.389 -1.869 1.190) 3.258 5.166 ( 1.023 -7.405 1.648) 7.655 5.219 ( -0.439 -3.381 0.055) 3.410 5.245 ( -2.122 2.113 -4.916) 5.756 5.323 ( 3.185 -1.705 -1.438) 3.888 5.418 ( -0.826 -1.521 0.364) 1.768 5.523 ( -0.373 -3.040 -2.050) 3.686 5.620 ( -3.813 -1.503 -1.167) 4.262 5.731 ( 3.359 0.230 0.820) 3.466 5.855 ( 0.366 -1.323 1.758) 2.231 5.952 ( -0.960 -7.233 -1.970) 7.557 6.302 ( 1.026 1.195 0.925) 1.826 6.328 ( -2.588 -2.139 -0.440) 3.386 6.423 ( 2.351 -3.026 0.782) 3.911 6.521 ( 0.989 -4.972 2.973) 5.877 6.688 ( -0.663 -0.892 -1.857) 2.164 6.739 ( -2.682 -6.152 0.321) 6.719 6.903 ( -1.959 5.311 3.116) 6.461 7.047 ( -2.705 -0.711 -2.713) 3.897 7.106 ( -1.834 -1.107 3.540) 4.137 7.204 ( -1.007 0.958 3.631) 3.888 7.247 ( 0.951 -0.302 -2.181) 2.398 7.333 ( 3.175 -1.833 -1.001) 3.800 7.413 ( 7.574 -5.357 -0.031) 9.277 7.522 ( -0.115 -0.860 0.492) 0.998 7.678 ( -0.808 1.089 -1.375) 1.931 7.799 ( 5.327 1.164 4.727) 7.216 7.883 ( 0.393 3.468 -1.715) 3.889 8.010 ( -1.313 2.046 -1.583) 2.901 8.073 ( -3.664 4.129 -6.276) 8.358 8.155 ( -1.909 -3.197 5.296) 6.474 8.190 ( -1.587 -1.393 0.367) 2.143 8.287 ( -2.680 -2.604 1.839) 4.165 8.441 ( 2.411 2.572 -3.241) 4.789 8.490 ( 0.654 1.722 -1.623) 2.455 8.609 ( -0.650 1.563 0.425) 1.745 8.732 ( -0.631 -1.369 -0.336) 1.544 8.963 ( 1.899 6.415 0.415) 6.703 9.049 ( 2.559 4.464 1.530) 5.368 12.315 ( -0.613 5.824 0.208) 5.860 12.500 ( -3.964 9.680 -0.095) 10.461 12.723 ( -0.616 -9.114 -1.040) 9.194 13.042 ( 5.153 -8.942 0.725) 10.345 13.735 ( -1.865 0.748 -1.641) 2.594 13.833 ( -2.817 -0.999 -3.404) 4.530 13.894 ( -0.187 0.906 4.118) 4.221 13.957 ( -1.060 1.126 1.449) 2.120 14.091 ( 1.593 -0.603 1.029) 1.990 14.487 ( -7.894 -15.719 -11.159) 20.831 15.187 ( 8.600 26.991 4.767) 28.726 15.434 ( 8.122 23.855 5.504) 25.794 15.968 ( -0.700 0.255 -1.380) 1.568 16.008 ( -0.946 -0.714 -0.125) 1.192 16.046 ( -2.309 0.871 1.005) 2.665 16.091 ( 0.202 -0.718 -3.214) 3.299 16.174 ( -0.362 -0.005 3.001) 3.023 16.193 ( 2.008 -0.289 3.674) 4.197 16.270 ( 1.759 -1.461 2.577) 3.445 16.372 ( 3.230 -0.761 2.817) 4.353 17.409 ( -10.388 -13.190 -6.952) 18.172 17.688 ( -6.519 -19.679 -6.088) 21.606 17.833 ( 2.619 1.150 0.024) 2.861 17.879 ( -1.666 -2.492 -5.024) 5.850 17.955 ( -2.544 -2.353 0.984) 3.603 18.089 ( -2.751 -8.531 -1.541) 9.095 18.473 ( 8.983 6.469 6.239) 12.707 18.675 ( 1.324 0.106 2.529) 2.857 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 -11.821 -0.000) 11.821 1.662 ( -0.000 -18.117 0.000) 18.117 1.711 ( 0.000 3.002 -0.000) 3.002 1.902 ( 0.000 -0.449 0.000) 0.449 1.992 ( -0.000 5.221 0.000) 5.221 2.028 ( 0.000 3.269 -0.000) 3.269 2.210 ( 0.001 14.686 -0.000) 14.686 2.218 ( -0.001 1.628 0.000) 1.628 2.488 ( 0.000 3.725 0.000) 3.725 2.512 ( -0.000 -2.431 -0.000) 2.431 2.547 ( -0.000 13.318 0.000) 13.318 2.702 ( 0.000 -3.049 -0.000) 3.049 2.779 ( -0.000 -1.388 0.000) 1.388 2.816 ( -0.000 4.068 0.000) 4.068 2.937 ( 0.000 7.639 0.000) 7.639 3.064 ( -0.000 7.881 0.000) 7.881 3.095 ( -0.000 1.310 -0.000) 1.310 3.134 ( 0.000 1.845 0.000) 1.845 3.293 ( -0.000 3.235 0.000) 3.235 3.311 ( 0.000 4.258 -0.000) 4.258 3.418 ( 0.000 7.774 -0.000) 7.774 3.651 ( 0.000 -7.500 0.000) 7.500 3.665 ( -0.000 -2.212 -0.000) 2.212 3.728 ( 0.000 6.591 0.000) 6.591 3.766 ( 0.000 -0.504 0.000) 0.504 3.946 ( 0.000 2.401 -0.000) 2.401 4.029 ( -0.000 1.922 0.000) 1.922 4.098 ( -0.000 -0.797 0.000) 0.797 4.214 ( 0.000 7.129 0.000) 7.129 4.333 ( 0.000 1.919 0.000) 1.919 4.347 ( -0.000 8.746 0.000) 8.746 4.359 ( -0.000 1.159 -0.000) 1.159 4.397 ( 0.000 2.791 0.000) 2.791 4.457 ( 0.000 -1.949 -0.000) 1.949 4.515 ( 0.000 -0.708 0.000) 0.708 4.665 ( 0.000 -0.695 0.000) 0.695 4.673 ( -0.000 1.807 0.000) 1.807 4.727 ( 0.000 1.519 0.000) 1.519 4.821 ( -0.000 4.078 0.000) 4.078 4.888 ( 0.000 -1.544 0.000) 1.544 4.999 ( 0.000 -2.549 0.000) 2.549 5.080 ( -0.000 -4.781 -0.000) 4.781 5.099 ( 0.000 -1.720 0.000) 1.720 5.184 ( -0.000 3.832 0.000) 3.832 5.269 ( 0.000 -9.680 -0.000) 9.680 5.380 ( -0.000 -3.655 -0.000) 3.655 5.407 ( 0.000 4.019 0.000) 4.019 5.529 ( -0.000 0.045 -0.000) 0.045 5.535 ( 0.000 -5.671 -0.000) 5.671 5.762 ( -0.000 0.286 0.000) 0.286 5.884 ( 0.000 -0.687 0.000) 0.687 5.902 ( 0.000 -7.941 -0.000) 7.941 6.273 ( 0.000 -1.414 -0.000) 1.414 6.351 ( -0.000 -3.941 0.000) 3.941 6.456 ( 0.000 -0.159 -0.000) 0.159 6.603 ( -0.000 -3.716 -0.000) 3.716 6.617 ( 0.000 0.519 0.000) 0.519 6.716 ( 0.000 -7.615 0.000) 7.615 6.897 ( -0.000 5.748 -0.000) 5.748 7.005 ( 0.000 -0.424 0.000) 0.424 7.107 ( 0.000 -0.209 -0.000) 0.209 7.211 ( -0.000 4.224 -0.000) 4.224 7.246 ( -0.000 -2.057 0.000) 2.057 7.350 ( 0.000 -1.341 0.000) 1.341 7.467 ( -0.000 -9.067 0.000) 9.067 7.553 ( 0.000 2.068 0.000) 2.068 7.670 ( -0.000 -0.335 -0.000) 0.335 7.889 ( 0.000 3.124 0.000) 3.124 7.900 ( -0.000 -1.328 -0.000) 1.328 7.935 ( -0.000 1.558 0.000) 1.558 8.008 ( 0.000 5.939 -0.000) 5.939 8.154 ( 0.000 -3.900 -0.000) 3.900 8.182 ( -0.000 -2.503 0.000) 2.503 8.277 ( -0.000 -2.564 0.000) 2.564 8.450 ( -0.000 1.956 0.000) 1.956 8.492 ( 0.000 1.527 -0.000) 1.527 8.604 ( 0.000 2.727 0.000) 2.727 8.727 ( -0.000 -0.419 0.000) 0.419 8.980 ( -0.000 6.930 0.000) 6.930 9.080 ( 0.000 4.851 -0.000) 4.851 12.310 ( 0.000 5.755 0.000) 5.755 12.462 ( 0.000 10.730 0.000) 10.730 12.711 ( 0.000 -8.888 0.000) 8.888 13.097 ( -0.000 -9.435 -0.000) 9.435 13.722 ( 0.000 -0.853 -0.000) 0.853 13.770 ( 0.000 -1.776 0.000) 1.776 13.940 ( 0.000 0.108 -0.000) 0.108 13.949 ( -0.000 0.363 0.000) 0.363 14.158 ( 0.000 -6.363 0.000) 6.363 14.287 ( -0.000 -7.451 -0.000) 7.451 15.290 ( 0.000 29.126 -0.000) 29.126 15.524 ( 0.000 24.043 0.000) 24.043 15.955 ( 0.000 0.887 -0.000) 0.887 15.995 ( 0.000 -0.147 0.000) 0.147 16.041 ( -0.000 1.612 0.000) 1.612 16.058 ( 0.000 -0.556 -0.000) 0.556 16.188 ( -0.000 -0.236 0.000) 0.236 16.213 ( 0.000 0.093 -0.000) 0.093 16.403 ( 0.000 0.322 0.000) 0.322 16.431 ( -0.000 0.302 -0.000) 0.302 17.221 ( 0.000 -19.550 -0.000) 19.550 17.569 ( -0.000 -25.628 0.000) 25.628 17.840 ( 0.000 -0.201 0.000) 0.201 17.875 ( -0.000 -0.280 -0.000) 0.280 17.923 ( -0.000 -0.941 0.000) 0.941 18.057 ( -0.000 -7.157 0.000) 7.157 18.638 ( 0.000 3.901 0.000) 3.901 18.654 ( -0.000 3.228 -0.000) 3.228 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 9.552 0.000) 9.552 1.811 ( 0.000 -1.541 0.000) 1.541 1.885 ( 0.000 9.318 0.000) 9.318 2.026 ( 0.000 -4.969 0.000) 4.969 2.142 ( 0.000 -8.049 0.000) 8.049 2.174 ( 0.000 -7.769 0.000) 7.769 2.401 ( 0.000 7.279 0.000) 7.279 2.426 ( 0.000 13.981 0.000) 13.981 2.565 ( 0.000 -7.206 0.000) 7.206 2.565 ( 0.000 3.786 0.000) 3.786 2.695 ( 0.000 3.647 0.000) 3.647 2.774 ( 0.000 -1.036 0.000) 1.036 2.827 ( 0.000 4.243 0.000) 4.243 2.887 ( 0.000 -0.974 0.000) 0.974 2.975 ( 0.000 6.175 0.000) 6.175 3.185 ( 0.000 -10.868 0.000) 10.868 3.189 ( 0.000 5.099 0.000) 5.099 3.291 ( 0.000 -0.111 0.000) 0.111 3.337 ( 0.000 4.828 0.000) 4.828 3.349 ( 0.000 5.300 0.000) 5.300 3.467 ( 0.000 3.567 0.000) 3.567 3.517 ( 0.000 2.612 0.000) 2.612 3.547 ( 0.000 0.419 0.000) 0.419 3.693 ( 0.000 0.354 0.000) 0.354 3.779 ( 0.000 -9.887 0.000) 9.887 3.832 ( 0.000 -1.228 0.000) 1.228 3.888 ( 0.000 -4.230 0.000) 4.230 3.966 ( 0.000 -5.684 0.000) 5.684 4.047 ( 0.000 10.888 0.000) 10.888 4.175 ( 0.000 3.166 0.000) 3.166 4.250 ( 0.000 -3.105 0.000) 3.105 4.287 ( 0.000 -2.322 0.000) 2.322 4.486 ( 0.000 4.558 0.000) 4.558 4.573 ( 0.000 -4.215 0.000) 4.215 4.575 ( 0.000 1.731 0.000) 1.731 4.625 ( 0.000 -2.914 0.000) 2.914 4.803 ( 0.000 2.800 0.000) 2.800 4.829 ( 0.000 -1.051 0.000) 1.051 4.875 ( 0.000 5.708 0.000) 5.708 4.938 ( 0.000 4.225 0.000) 4.225 4.961 ( 0.000 -3.326 0.000) 3.326 5.063 ( 0.000 -6.136 0.000) 6.136 5.238 ( 0.000 4.232 0.000) 4.232 5.242 ( 0.000 5.533 0.000) 5.533 5.308 ( 0.000 -2.088 0.000) 2.088 5.330 ( 0.000 -2.627 0.000) 2.627 5.455 ( 0.000 6.950 0.000) 6.950 5.463 ( 0.000 4.855 0.000) 4.855 5.620 ( 0.000 -9.207 0.000) 9.207 5.639 ( 0.000 -8.639 0.000) 8.639 5.740 ( 0.000 3.301 0.000) 3.301 5.839 ( 0.000 -5.224 0.000) 5.224 6.208 ( 0.000 0.111 0.000) 0.111 6.265 ( 0.000 -5.713 0.000) 5.713 6.471 ( 0.000 2.386 0.000) 2.386 6.490 ( 0.000 -0.279 0.000) 0.279 6.730 ( 0.000 -1.840 0.000) 1.840 6.733 ( 0.000 -1.383 0.000) 1.383 6.976 ( 0.000 2.084 0.000) 2.084 7.020 ( 0.000 -2.391 0.000) 2.391 7.086 ( 0.000 3.342 0.000) 3.342 7.130 ( 0.000 -2.009 0.000) 2.009 7.149 ( 0.000 1.693 0.000) 1.693 7.211 ( 0.000 -3.155 0.000) 3.155 7.338 ( 0.000 3.449 0.000) 3.449 7.453 ( 0.000 -8.080 0.000) 8.080 7.665 ( 0.000 2.114 0.000) 2.114 7.672 ( 0.000 1.043 0.000) 1.043 8.042 ( 0.000 1.512 0.000) 1.512 8.048 ( 0.000 1.438 0.000) 1.438 8.118 ( 0.000 4.389 0.000) 4.389 8.197 ( 0.000 -3.061 0.000) 3.061 8.323 ( 0.000 0.587 0.000) 0.587 8.328 ( 0.000 0.239 0.000) 0.239 8.548 ( 0.000 1.044 0.000) 1.044 8.549 ( 0.000 2.520 0.000) 2.520 8.709 ( 0.000 -0.971 0.000) 0.971 8.709 ( 0.000 -2.426 0.000) 2.426 8.882 ( 0.000 3.859 0.000) 3.859 8.926 ( 0.000 -0.419 0.000) 0.419 12.448 ( 0.000 6.049 0.000) 6.049 12.579 ( 0.000 -7.446 0.000) 7.446 12.742 ( 0.000 2.254 0.000) 2.254 12.785 ( 0.000 -2.062 0.000) 2.062 13.910 ( 0.000 3.844 0.000) 3.844 13.938 ( 0.000 0.396 0.000) 0.396 14.049 ( 0.000 0.203 0.000) 0.203 14.051 ( 0.000 -0.273 0.000) 0.273 14.141 ( 0.000 8.398 0.000) 8.398 14.387 ( 0.000 -16.491 0.000) 16.491 15.070 ( 0.000 9.846 0.000) 9.846 15.131 ( 0.000 4.249 0.000) 4.249 15.994 ( 0.000 0.098 0.000) 0.098 16.001 ( 0.000 -0.679 0.000) 0.679 16.075 ( 0.000 4.409 0.000) 4.409 16.137 ( 0.000 0.770 0.000) 0.770 16.186 ( 0.000 -0.889 0.000) 0.889 16.216 ( 0.000 -1.832 0.000) 1.832 16.392 ( 0.000 0.696 0.000) 0.696 16.409 ( 0.000 -1.039 0.000) 1.039 17.603 ( 0.000 0.482 0.000) 0.482 17.692 ( 0.000 -8.283 0.000) 8.283 17.845 ( 0.000 3.288 0.000) 3.288 17.920 ( 0.000 -4.398 0.000) 4.398 17.975 ( 0.000 -0.730 0.000) 0.730 18.033 ( 0.000 -6.662 0.000) 6.662 18.269 ( 0.000 9.108 0.000) 9.108 18.412 ( 0.000 -5.429 0.000) 5.429 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -8.525 0.742 -6.969) 11.036 1.722 ( -13.296 -10.021 4.588) 17.270 1.968 ( 5.387 13.508 8.276) 16.732 2.078 ( 3.225 1.542 2.346) 4.276 2.193 ( -2.632 1.975 -2.158) 3.935 2.254 ( -0.182 -0.778 2.223) 2.362 2.263 ( -0.216 -1.723 -3.060) 3.519 2.400 ( -7.722 -9.257 1.151) 12.109 2.528 ( -7.901 3.871 -5.764) 10.519 2.578 ( 9.928 12.889 -1.478) 16.337 2.607 ( -8.698 -1.593 -5.902) 10.631 2.685 ( 1.051 2.459 -0.680) 2.759 2.853 ( -0.294 1.560 -5.326) 5.557 2.886 ( -1.748 8.322 7.317) 11.218 2.981 ( 2.575 -4.762 2.072) 5.796 3.078 ( -6.625 -1.046 1.073) 6.792 3.157 ( -4.119 -1.401 2.411) 4.974 3.193 ( -5.704 -0.221 0.563) 5.736 3.349 ( 1.855 7.852 -3.538) 8.810 3.396 ( 0.995 8.845 1.877) 9.096 3.498 ( -1.154 -3.826 -2.580) 4.756 3.557 ( 1.653 3.891 4.014) 5.829 3.616 ( 5.957 -5.476 3.463) 8.801 3.688 ( -3.472 -7.235 3.496) 8.753 3.809 ( 9.002 3.088 -4.016) 10.329 3.908 ( 3.057 -0.404 -6.829) 7.493 3.933 ( 4.344 1.982 3.574) 5.964 3.959 ( 1.432 -2.652 -0.554) 3.065 4.099 ( 5.403 3.871 1.820) 6.891 4.214 ( 3.791 -0.982 -1.692) 4.266 4.246 ( 0.653 -1.702 0.054) 1.824 4.290 ( 0.409 -1.311 -0.169) 1.384 4.488 ( -0.784 4.376 1.170) 4.597 4.552 ( -0.754 -0.833 -0.428) 1.202 4.615 ( -0.265 0.417 4.334) 4.362 4.638 ( -0.095 -1.316 3.437) 3.682 4.773 ( 1.521 2.677 -6.042) 6.781 4.809 ( -2.180 0.654 -0.647) 2.366 4.874 ( 0.391 3.369 -0.786) 3.482 4.919 ( -1.114 3.295 0.897) 3.592 4.955 ( -2.046 -3.648 0.498) 4.212 5.060 ( -0.896 -6.366 1.426) 6.585 5.172 ( -3.256 4.311 -4.686) 7.152 5.196 ( 0.100 0.458 -1.500) 1.571 5.274 ( -2.380 2.025 -1.182) 3.341 5.381 ( -3.664 -5.669 -1.458) 6.906 5.413 ( 0.296 5.686 -3.385) 6.624 5.510 ( 1.496 -2.054 -1.546) 2.975 5.630 ( 4.327 -0.235 2.792) 5.155 5.653 ( 0.773 -0.370 1.294) 1.552 5.758 ( 2.587 -2.129 -0.102) 3.352 5.827 ( -0.840 -6.803 -1.238) 6.965 6.271 ( 4.274 -0.175 2.283) 4.848 6.298 ( 1.608 -2.605 1.823) 3.563 6.409 ( -4.392 1.307 -0.744) 4.643 6.442 ( -4.145 -2.055 -0.853) 4.704 6.699 ( -1.733 -0.715 -0.909) 2.083 6.711 ( -1.268 -2.326 -1.747) 3.174 7.010 ( 0.258 4.713 2.825) 5.501 7.075 ( 1.364 -0.387 -0.041) 1.418 7.117 ( 0.133 -0.152 4.077) 4.082 7.137 ( 2.767 0.543 1.580) 3.232 7.176 ( 1.695 -1.863 1.833) 3.115 7.214 ( -1.265 -3.649 4.134) 5.657 7.317 ( 1.234 4.291 -2.755) 5.247 7.439 ( -0.399 -7.557 -0.233) 7.571 7.720 ( 3.053 2.380 2.913) 4.844 7.730 ( 3.070 1.538 1.186) 3.633 8.004 ( -1.025 3.182 -3.474) 4.821 8.042 ( 0.605 -0.934 -1.383) 1.775 8.109 ( -0.940 3.478 -0.329) 3.617 8.178 ( -1.500 -2.965 -0.638) 3.384 8.276 ( -4.717 1.225 -0.826) 4.943 8.302 ( -4.216 -1.160 1.650) 4.673 8.505 ( -0.747 2.917 -2.843) 4.141 8.541 ( -0.105 -0.175 -4.363) 4.368 8.649 ( -1.798 1.502 -0.025) 2.343 8.691 ( -0.775 -3.048 0.325) 3.162 8.978 ( 5.222 2.909 1.922) 6.279 9.002 ( 5.085 0.457 2.116) 5.527 12.442 ( -0.564 6.106 -0.051) 6.133 12.575 ( -0.371 -7.524 -0.273) 7.538 12.714 ( -2.435 5.265 0.813) 5.857 12.814 ( 1.999 -5.048 0.841) 5.495 13.885 ( -3.987 2.505 -2.781) 5.468 13.897 ( -2.925 1.043 -1.098) 3.294 13.974 ( -4.792 0.961 -0.490) 4.912 13.991 ( -5.250 0.008 4.224) 6.739 14.131 ( 2.177 6.037 -6.204) 8.926 14.340 ( -1.337 -14.937 -6.412) 16.310 15.283 ( 15.658 13.090 8.967) 22.292 15.378 ( 17.525 4.467 10.736) 21.032 15.993 ( -0.593 0.335 1.025) 1.231 16.002 ( -0.472 -0.604 0.868) 1.158 16.057 ( -1.421 2.571 -1.500) 3.298 16.109 ( -2.768 -1.188 -1.472) 3.352 16.181 ( -1.039 1.762 2.235) 3.030 16.221 ( -1.199 -1.845 1.340) 2.576 16.316 ( -4.233 -0.090 -2.863) 5.111 16.325 ( -4.552 -0.865 -2.903) 5.468 17.511 ( -7.849 -1.211 -5.236) 9.512 17.598 ( -7.385 -9.906 -5.922) 13.702 17.848 ( 0.313 2.971 0.230) 2.996 17.912 ( -0.658 -3.568 0.334) 3.644 17.937 ( -1.554 0.374 -3.344) 3.707 18.001 ( -1.548 -6.077 -2.405) 6.717 18.387 ( 7.679 7.482 5.764) 12.173 18.506 ( 5.940 -4.597 4.942) 8.991 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -3.953 -3.441 -8.333) 9.845 1.496 ( -15.287 -12.724 6.565) 20.945 1.968 ( -9.184 4.677 -9.210) 13.822 1.997 ( -7.152 3.233 -3.541) 8.611 2.095 ( -9.266 -0.055 2.966) 9.730 2.126 ( -6.502 -6.052 -8.307) 12.162 2.231 ( 3.684 10.045 4.561) 11.631 2.399 ( -0.193 -1.465 -2.281) 2.718 2.436 ( 1.598 0.410 2.348) 2.869 2.493 ( -0.196 -5.393 6.192) 8.213 2.679 ( 2.009 4.937 -5.502) 7.661 2.767 ( 6.149 -1.570 -3.074) 7.052 2.810 ( 1.619 11.628 -3.643) 12.292 2.925 ( -1.984 11.303 8.738) 14.424 2.990 ( 0.176 -2.713 0.245) 2.730 3.060 ( -1.438 3.909 0.046) 4.165 3.132 ( -0.296 -4.084 3.198) 5.196 3.145 ( -2.585 -6.366 4.277) 8.093 3.348 ( 1.054 4.951 -0.716) 5.112 3.447 ( -0.523 9.636 8.902) 13.129 3.459 ( 1.131 -4.057 -2.799) 5.057 3.591 ( 0.452 8.371 -0.699) 8.413 3.641 ( -1.649 -6.370 4.464) 7.952 3.775 ( 1.749 -5.547 -2.217) 6.224 3.828 ( 2.136 2.467 -2.955) 4.402 3.902 ( 2.446 4.132 -3.577) 5.988 4.005 ( 2.074 -2.177 -0.987) 3.165 4.052 ( 4.583 -4.425 -3.130) 7.098 4.223 ( 4.549 5.017 4.583) 8.177 4.285 ( 4.300 2.169 0.923) 4.904 4.306 ( 4.830 -0.989 1.412) 5.129 4.323 ( 2.398 -3.869 3.916) 6.005 4.486 ( -0.438 3.631 0.414) 3.680 4.529 ( -1.368 0.213 -0.998) 1.707 4.622 ( -2.270 6.365 2.373) 7.163 4.669 ( 0.484 1.749 1.218) 2.186 4.735 ( 0.556 0.874 -7.493) 7.564 4.800 ( -0.455 -3.784 4.031) 5.547 4.851 ( -0.078 6.201 -3.032) 6.903 4.886 ( -3.059 2.527 0.910) 4.071 4.953 ( 0.699 -6.568 -0.635) 6.636 5.032 ( -2.918 -6.308 0.645) 6.980 5.048 ( -3.792 3.759 -2.902) 6.077 5.135 ( -5.189 -4.570 -3.731) 7.857 5.290 ( 4.022 1.121 1.696) 4.507 5.352 ( 2.788 -5.018 1.602) 5.960 5.373 ( -0.136 5.573 -3.205) 6.430 5.456 ( -1.605 -2.820 -3.916) 5.086 5.634 ( -3.800 3.444 -1.001) 5.225 5.758 ( -2.429 -5.253 -3.886) 6.971 5.781 ( 5.048 0.319 3.084) 5.924 5.840 ( 3.588 -2.909 -0.010) 4.619 6.289 ( -2.255 -0.791 -2.998) 3.833 6.295 ( -1.646 -1.418 -1.121) 2.445 6.406 ( 2.787 1.019 4.497) 5.388 6.445 ( 2.712 -2.786 5.294) 6.568 6.653 ( -2.893 -1.932 -1.140) 3.661 6.656 ( -2.411 -1.902 -2.188) 3.771 7.009 ( -2.772 3.533 2.853) 5.321 7.039 ( -3.416 -0.325 -0.329) 3.447 7.142 ( 0.193 4.773 4.971) 6.894 7.198 ( 0.457 0.033 2.120) 2.169 7.261 ( 3.851 -2.578 1.499) 4.870 7.275 ( 4.501 -4.187 -1.375) 6.299 7.345 ( 1.604 2.701 -1.085) 3.324 7.445 ( 1.247 -5.619 1.318) 5.905 7.743 ( -0.271 3.941 -1.515) 4.231 7.798 ( 2.242 -1.428 0.583) 2.721 7.972 ( -0.454 4.796 -0.235) 4.823 8.039 ( -2.108 -0.591 0.969) 2.394 8.093 ( -1.308 -0.458 1.474) 2.024 8.137 ( -1.919 -2.861 -1.090) 3.613 8.160 ( -3.599 3.153 -2.912) 5.601 8.229 ( -2.619 -3.284 -0.340) 4.214 8.486 ( 1.168 1.840 -2.476) 3.299 8.507 ( 0.283 -0.126 -1.774) 1.801 8.650 ( 0.626 2.403 0.429) 2.520 8.696 ( 0.495 -2.161 0.513) 2.276 9.065 ( 2.731 3.706 0.695) 4.656 9.099 ( 2.979 0.430 1.265) 3.265 12.430 ( -0.592 6.069 -0.058) 6.098 12.561 ( -0.614 -7.392 -0.389) 7.428 12.684 ( -1.536 9.156 0.862) 9.324 12.864 ( 1.891 -9.132 1.273) 9.412 13.761 ( -3.907 1.828 -2.634) 5.054 13.801 ( -4.046 -2.047 -3.262) 5.586 13.932 ( -2.946 2.459 5.417) 6.639 13.965 ( -3.123 -0.516 4.270) 5.315 14.111 ( 2.146 3.046 -5.215) 6.409 14.233 ( -0.899 -9.698 -9.495) 13.602 15.675 ( 14.029 20.775 5.463) 25.657 15.828 ( 15.631 12.450 3.204) 20.238 15.965 ( -1.851 -1.183 -2.829) 3.581 15.998 ( -1.545 0.689 2.485) 3.006 16.037 ( 4.164 -4.369 2.265) 6.447 16.044 ( -1.526 -2.437 0.788) 2.981 16.186 ( -2.210 1.213 2.253) 3.381 16.207 ( -0.765 1.387 9.353) 9.486 16.235 ( -1.654 -0.369 -0.983) 1.959 16.322 ( 1.745 -4.774 5.632) 7.587 17.206 ( -14.788 -4.391 -12.589) 19.911 17.315 ( -12.159 -14.774 -12.198) 22.691 17.863 ( 0.838 1.869 0.295) 2.069 17.884 ( -0.591 1.966 -2.393) 3.153 17.905 ( -0.817 -2.451 0.609) 2.654 17.954 ( -1.045 -5.203 -1.486) 5.511 18.586 ( 6.587 4.713 5.046) 9.543 18.654 ( 3.977 -2.236 3.702) 5.875 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.000 -9.899 -0.000) 9.899 1.341 ( -0.000 -9.122 0.000) 9.122 1.800 ( 0.000 5.355 -0.000) 5.355 1.896 ( 0.000 -2.476 0.000) 2.476 1.989 ( -0.000 -1.096 0.000) 1.096 2.021 ( 0.000 -2.510 -0.000) 2.510 2.315 ( 0.000 6.107 0.000) 6.107 2.388 ( -0.000 0.844 -0.000) 0.844 2.489 ( 0.000 0.776 0.000) 0.776 2.520 ( -0.000 -0.181 -0.000) 0.181 2.657 ( 0.000 2.731 -0.000) 2.731 2.759 ( 0.000 1.202 0.000) 1.202 2.865 ( -0.000 5.200 0.000) 5.200 2.903 ( 0.000 9.864 -0.000) 9.864 3.015 ( 0.000 -1.979 -0.000) 1.979 3.078 ( 0.000 -4.779 0.000) 4.779 3.116 ( 0.000 1.839 0.000) 1.839 3.148 ( -0.000 0.217 0.000) 0.217 3.368 ( 0.000 4.463 -0.000) 4.463 3.461 ( -0.000 -4.134 0.000) 4.134 3.554 ( 0.000 5.007 -0.000) 5.007 3.561 ( -0.000 11.796 0.000) 11.796 3.665 ( 0.000 -5.717 0.000) 5.717 3.711 ( -0.000 5.270 -0.000) 5.270 3.879 ( 0.000 -7.394 -0.000) 7.394 3.898 ( -0.000 2.310 0.000) 2.310 4.006 ( 0.000 -1.543 -0.000) 1.543 4.056 ( -0.000 -2.309 0.000) 2.309 4.303 ( -0.000 2.846 0.000) 2.846 4.349 ( 0.000 -0.855 0.000) 0.855 4.386 ( 0.000 0.567 -0.000) 0.567 4.418 ( -0.000 -1.663 -0.000) 1.663 4.466 ( 0.000 3.181 0.000) 3.181 4.475 ( -0.000 4.419 -0.000) 4.419 4.638 ( -0.000 9.588 -0.000) 9.588 4.670 ( 0.000 0.158 -0.000) 0.158 4.672 ( -0.000 0.519 0.000) 0.519 4.817 ( -0.000 -6.142 0.000) 6.142 4.829 ( 0.000 8.401 -0.000) 8.401 4.874 ( 0.000 0.624 0.000) 0.624 4.925 ( -0.000 -4.419 -0.000) 4.419 5.000 ( -0.000 -5.494 -0.000) 5.494 5.031 ( 0.000 -4.787 0.000) 4.787 5.047 ( -0.000 -2.860 0.000) 2.860 5.329 ( 0.000 -0.500 -0.000) 0.500 5.337 ( -0.000 2.201 0.000) 2.201 5.446 ( -0.000 0.006 0.000) 0.006 5.502 ( 0.000 -2.817 0.000) 2.817 5.506 ( -0.000 6.458 -0.000) 6.458 5.672 ( 0.000 -9.141 0.000) 9.141 5.852 ( -0.000 1.780 0.000) 1.780 5.876 ( 0.000 -0.413 -0.000) 0.413 6.251 ( 0.000 -0.405 -0.000) 0.405 6.273 ( -0.000 -2.890 0.000) 2.890 6.482 ( 0.000 2.647 -0.000) 2.647 6.542 ( -0.000 -2.839 -0.000) 2.839 6.584 ( 0.000 -1.809 0.000) 1.809 6.597 ( -0.000 -3.906 0.000) 3.906 6.988 ( 0.000 2.422 -0.000) 2.422 7.006 ( -0.000 0.112 0.000) 0.112 7.184 ( 0.000 4.903 -0.000) 4.903 7.229 ( 0.000 2.649 -0.000) 2.649 7.272 ( 0.000 -5.149 0.000) 5.149 7.312 ( 0.000 -1.018 -0.000) 1.018 7.353 ( -0.000 2.827 0.000) 2.827 7.483 ( 0.000 -6.874 -0.000) 6.874 7.728 ( 0.000 4.622 -0.000) 4.622 7.821 ( -0.000 -4.776 0.000) 4.776 7.974 ( -0.000 4.500 -0.000) 4.500 7.992 ( 0.000 2.358 0.000) 2.358 8.078 ( 0.000 -1.418 -0.000) 1.418 8.110 ( 0.000 -4.319 0.000) 4.319 8.128 ( 0.000 4.254 -0.000) 4.254 8.214 ( 0.000 -3.891 0.000) 3.891 8.486 ( -0.000 1.571 0.000) 1.571 8.505 ( 0.000 -0.220 -0.000) 0.220 8.660 ( 0.000 2.771 0.000) 2.771 8.705 ( -0.000 -1.730 0.000) 1.730 9.093 ( 0.000 4.142 0.000) 4.142 9.132 ( 0.000 0.316 -0.000) 0.316 12.424 ( 0.000 5.982 0.000) 5.982 12.552 ( 0.000 -7.229 0.000) 7.229 12.674 ( 0.000 10.902 0.000) 10.902 12.891 ( -0.000 -11.033 -0.000) 11.033 13.717 ( 0.000 0.335 0.000) 0.335 13.735 ( -0.000 -1.503 0.000) 1.503 13.945 ( 0.000 0.166 -0.000) 0.166 13.947 ( -0.000 -0.165 0.000) 0.165 14.111 ( 0.000 0.688 0.000) 0.688 14.165 ( -0.000 -4.631 -0.000) 4.631 15.798 ( 0.000 17.766 -0.000) 17.766 15.877 ( 0.000 8.233 0.000) 8.233 15.979 ( -0.000 -0.552 0.000) 0.552 15.992 ( 0.000 1.567 -0.000) 1.567 16.056 ( 0.000 3.899 0.000) 3.899 16.120 ( -0.000 4.581 0.000) 4.581 16.189 ( 0.000 0.337 0.000) 0.337 16.218 ( 0.000 -0.128 -0.000) 0.128 16.408 ( 0.000 0.206 0.000) 0.206 16.429 ( -0.000 -1.256 -0.000) 1.256 16.884 ( 0.000 -8.788 -0.000) 8.788 17.070 ( -0.000 -22.550 0.000) 22.550 17.865 ( 0.000 2.428 -0.000) 2.428 17.878 ( 0.000 0.645 0.000) 0.645 17.898 ( 0.000 -1.358 0.000) 1.358 17.937 ( -0.000 -4.893 0.000) 4.893 18.691 ( 0.000 1.493 0.000) 1.493 18.696 ( -0.000 1.003 -0.000) 1.003 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 11.908 0.000 30.990) 33.199 0.647 ( -12.200 0.000 34.178) 36.291 0.817 ( 1.856 0.000 41.936) 41.977 1.636 ( -4.320 0.000 3.932) 5.841 1.894 ( -7.182 0.000 -3.439) 7.963 1.960 ( -2.348 0.000 4.262) 4.866 2.088 ( -0.014 0.000 4.348) 4.348 2.213 ( 1.061 0.000 0.519) 1.181 2.214 ( 1.928 0.000 -2.198) 2.924 2.304 ( 8.236 0.000 -13.295) 15.639 2.438 ( -10.437 0.000 -7.086) 12.615 2.620 ( -1.977 0.000 -0.999) 2.215 2.650 ( -0.466 0.000 -4.209) 4.235 2.672 ( 4.089 0.000 -6.985) 8.093 2.725 ( 7.817 0.000 4.345) 8.943 2.821 ( -0.494 0.000 -0.089) 0.502 3.128 ( 4.948 0.000 4.434) 6.644 3.207 ( 4.040 0.000 -11.907) 12.574 3.227 ( -4.272 0.000 -2.701) 5.054 3.411 ( 1.074 0.000 -0.186) 1.090 3.428 ( -0.727 0.000 4.572) 4.629 3.562 ( -1.636 0.000 1.110) 1.977 3.610 ( 0.330 0.000 -1.010) 1.063 3.861 ( -6.107 0.000 -4.799) 7.767 3.871 ( 5.641 0.000 -1.205) 5.769 3.878 ( -0.738 0.000 -11.515) 11.538 3.955 ( 2.469 0.000 -4.304) 4.962 4.076 ( 0.899 0.000 3.182) 3.306 4.128 ( 8.695 0.000 3.808) 9.493 4.229 ( -2.701 0.000 -2.549) 3.714 4.291 ( 0.832 0.000 3.455) 3.554 4.332 ( -1.349 0.000 8.012) 8.125 4.405 ( -5.074 0.000 -2.857) 5.823 4.482 ( -0.435 0.000 -4.896) 4.915 4.531 ( -4.074 0.000 1.454) 4.326 4.531 ( -1.845 0.000 -4.486) 4.851 4.697 ( -4.984 0.000 -2.088) 5.404 4.714 ( -3.258 0.000 1.483) 3.580 4.737 ( -0.702 0.000 1.161) 1.357 4.925 ( 4.464 0.000 -2.615) 5.174 5.057 ( -0.171 0.000 -2.737) 2.743 5.178 ( 2.056 0.000 -0.794) 2.204 5.194 ( -6.250 0.000 -0.834) 6.306 5.263 ( 6.030 0.000 6.847) 9.124 5.402 ( 3.847 0.000 3.938) 5.505 5.483 ( -4.970 0.000 0.716) 5.021 5.568 ( -0.591 0.000 -0.000) 0.591 5.604 ( -1.538 0.000 -0.268) 1.561 5.707 ( 13.456 0.000 7.685) 15.496 5.719 ( 0.199 0.000 6.402) 6.405 6.042 ( 0.261 0.000 2.181) 2.196 6.115 ( -3.276 0.000 2.448) 4.089 6.178 ( -3.340 0.000 0.278) 3.351 6.328 ( -1.302 0.000 0.027) 1.302 6.671 ( 4.319 0.000 -7.205) 8.400 6.814 ( 27.054 0.000 -1.006) 27.073 7.011 ( 4.973 0.000 -0.200) 4.977 7.065 ( -0.647 0.000 -2.348) 2.436 7.082 ( -0.501 0.000 1.662) 1.736 7.124 ( -3.550 0.000 1.227) 3.756 7.141 ( -25.270 0.000 -5.452) 25.852 7.181 ( 4.857 0.000 -1.014) 4.962 7.200 ( -3.550 0.000 -0.612) 3.602 7.360 ( 4.257 0.000 1.159) 4.412 7.397 ( -1.878 0.000 6.059) 6.343 7.440 ( 1.944 0.000 4.034) 4.478 7.671 ( -0.075 0.000 -5.789) 5.790 7.695 ( 2.204 0.000 -3.488) 4.126 7.795 ( -0.440 0.000 -1.719) 1.774 7.891 ( -5.838 0.000 -1.922) 6.146 7.918 ( 4.067 0.000 -1.203) 4.242 8.003 ( -0.532 0.000 -3.187) 3.231 8.152 ( -6.055 0.000 7.552) 9.680 8.275 ( 0.288 0.000 2.836) 2.850 8.309 ( 2.911 0.000 0.722) 2.999 8.553 ( 0.937 0.000 -3.446) 3.572 8.597 ( -0.269 0.000 4.336) 4.344 8.811 ( 1.175 0.000 2.653) 2.901 8.926 ( -1.371 0.000 -3.496) 3.755 8.954 ( -5.831 0.000 -1.342) 5.984 11.987 ( -0.153 0.000 0.066) 0.167 11.993 ( 0.162 0.000 -0.097) 0.189 12.910 ( 8.131 0.000 2.433) 8.487 13.255 ( -3.609 0.000 -8.332) 9.080 13.592 ( 1.063 0.000 3.934) 4.075 13.857 ( -0.021 0.000 1.467) 1.467 13.892 ( -0.212 0.000 -0.785) 0.813 13.920 ( 0.353 0.000 -0.727) 0.808 13.969 ( -1.700 0.000 -3.410) 3.810 14.055 ( 0.273 0.000 -2.041) 2.059 14.387 ( 2.992 0.000 19.175) 19.407 15.852 ( 6.698 0.000 -20.052) 21.141 15.925 ( 0.904 0.000 2.947) 3.083 15.958 ( 2.504 0.000 3.395) 4.218 16.026 ( -1.149 0.000 0.621) 1.306 16.059 ( -1.813 0.000 -0.399) 1.856 16.167 ( 1.034 0.000 -1.384) 1.728 16.171 ( -12.450 0.000 -0.627) 12.465 16.234 ( 1.216 0.000 -1.388) 1.846 16.329 ( -12.937 0.000 -8.954) 15.733 17.365 ( 0.831 0.000 18.500) 18.519 17.752 ( -0.687 0.000 -1.917) 2.036 17.811 ( 6.961 0.000 5.136) 8.650 18.092 ( -0.363 0.000 2.441) 2.468 18.311 ( -0.329 0.000 -3.094) 3.112 18.563 ( -2.289 0.000 -8.557) 8.858 18.693 ( 7.968 0.000 3.259) 8.609 18.865 ( -0.836 0.000 -1.283) 1.531 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -0.179 0.000 28.321) 28.321 0.918 ( 0.485 0.000 31.254) 31.257 1.522 ( 18.929 0.000 22.612) 29.489 1.593 ( -2.589 0.000 -7.848) 8.264 1.688 ( -5.695 0.000 -7.565) 9.469 1.940 ( -10.763 0.000 -2.617) 11.076 2.026 ( 4.953 0.000 11.324) 12.360 2.224 ( 2.985 0.000 -5.519) 6.274 2.227 ( -7.951 0.000 0.170) 7.953 2.339 ( 9.435 0.000 -11.461) 14.845 2.415 ( 13.559 0.000 6.451) 15.016 2.548 ( 0.645 0.000 -7.736) 7.763 2.587 ( 0.968 0.000 -3.154) 3.299 2.745 ( 2.621 0.000 -0.296) 2.638 2.748 ( -4.317 0.000 -3.544) 5.586 2.926 ( 5.574 0.000 6.075) 8.245 3.095 ( -5.162 0.000 -5.018) 7.199 3.139 ( 2.810 0.000 -13.498) 13.788 3.333 ( 7.947 0.000 9.058) 12.050 3.350 ( -7.388 0.000 -2.077) 7.674 3.420 ( -2.463 0.000 -2.153) 3.271 3.539 ( -1.322 0.000 -6.318) 6.454 3.547 ( 0.729 0.000 3.792) 3.861 3.737 ( 2.736 0.000 -2.686) 3.834 3.814 ( -4.076 0.000 -5.695) 7.004 3.925 ( -1.702 0.000 -0.792) 1.877 3.991 ( 0.590 0.000 -2.344) 2.417 4.098 ( -3.928 0.000 -10.366) 11.085 4.113 ( 0.605 0.000 5.546) 5.579 4.227 ( -3.608 0.000 2.106) 4.178 4.301 ( -2.004 0.000 2.708) 3.369 4.336 ( -6.098 0.000 -0.000) 6.098 4.353 ( 6.832 0.000 2.234) 7.187 4.391 ( -0.125 0.000 3.634) 3.636 4.482 ( -4.114 0.000 -0.467) 4.141 4.493 ( 1.684 0.000 -4.871) 5.154 4.645 ( -4.520 0.000 0.632) 4.564 4.692 ( 1.079 0.000 4.498) 4.626 4.780 ( 3.884 0.000 0.801) 3.965 4.972 ( 2.353 0.000 -7.668) 8.021 5.045 ( -5.333 0.000 2.025) 5.705 5.068 ( 3.042 0.000 1.786) 3.528 5.190 ( -5.612 0.000 0.088) 5.612 5.363 ( -7.044 0.000 0.769) 7.086 5.403 ( -3.950 0.000 3.238) 5.107 5.469 ( 5.784 0.000 4.706) 7.457 5.556 ( -1.516 0.000 -1.967) 2.483 5.566 ( 0.719 0.000 -1.830) 1.966 5.770 ( 0.730 0.000 1.837) 1.977 5.957 ( 7.411 0.000 2.468) 7.811 6.074 ( -1.016 0.000 6.082) 6.166 6.074 ( -5.030 0.000 6.530) 8.243 6.207 ( 4.201 0.000 1.167) 4.360 6.327 ( 1.659 0.000 -1.706) 2.380 6.483 ( -28.171 0.000 8.541) 29.437 6.646 ( 2.436 0.000 -10.861) 11.131 6.971 ( -0.232 0.000 -7.429) 7.432 7.036 ( -1.252 0.000 -3.938) 4.132 7.050 ( -3.306 0.000 3.728) 4.983 7.115 ( 0.720 0.000 1.578) 1.735 7.152 ( 4.543 0.000 2.590) 5.230 7.181 ( 3.400 0.000 -3.320) 4.751 7.243 ( 1.727 0.000 1.932) 2.592 7.355 ( -2.612 0.000 2.535) 3.640 7.439 ( 0.722 0.000 5.245) 5.295 7.553 ( 4.104 0.000 -1.901) 4.523 7.658 ( 1.240 0.000 -3.614) 3.821 7.756 ( 5.321 0.000 -1.441) 5.512 7.786 ( 0.080 0.000 -5.209) 5.210 7.889 ( 5.155 0.000 2.062) 5.552 7.933 ( -2.350 0.000 -4.190) 4.803 8.014 ( 4.725 0.000 -1.324) 4.907 8.126 ( -0.447 0.000 3.081) 3.113 8.314 ( -0.525 0.000 4.500) 4.530 8.370 ( 1.137 0.000 1.805) 2.133 8.464 ( -3.249 0.000 -4.645) 5.669 8.674 ( 0.725 0.000 5.954) 5.999 8.799 ( -7.382 0.000 3.611) 8.218 8.823 ( -4.988 0.000 -5.377) 7.334 8.846 ( -0.636 0.000 2.444) 2.526 11.986 ( 0.117 0.000 0.025) 0.119 11.998 ( 0.417 0.000 -0.061) 0.422 13.142 ( 0.327 0.000 -7.565) 7.572 13.185 ( 12.498 0.000 -4.444) 13.265 13.732 ( 8.183 0.000 5.204) 9.698 13.873 ( 0.574 0.000 -1.080) 1.223 13.877 ( 0.416 0.000 -1.083) 1.160 13.917 ( 0.122 0.000 -0.799) 0.808 13.964 ( 3.906 0.000 -2.640) 4.715 14.093 ( 7.664 0.000 -2.274) 7.994 14.587 ( -4.107 0.000 22.012) 22.391 15.535 ( -13.221 0.000 -29.589) 32.409 16.005 ( -1.499 0.000 2.482) 2.899 16.009 ( 3.524 0.000 3.864) 5.229 16.033 ( -1.606 0.000 2.677) 3.122 16.060 ( 2.671 0.000 2.892) 3.937 16.109 ( 1.678 0.000 -2.762) 3.232 16.127 ( -1.880 0.000 -2.237) 2.922 16.213 ( 5.127 0.000 1.803) 5.435 16.279 ( 4.634 0.000 0.672) 4.683 17.563 ( 4.345 0.000 10.609) 11.464 17.734 ( 1.159 0.000 -1.963) 2.280 18.023 ( 4.527 0.000 11.194) 12.075 18.057 ( -5.474 0.000 -0.175) 5.477 18.247 ( -1.248 0.000 -3.220) 3.453 18.417 ( -1.478 0.000 -10.980) 11.079 18.712 ( -5.790 0.000 3.355) 6.692 18.765 ( -6.759 0.000 -2.761) 7.301 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.661 0.000 18.766) 18.777 1.230 ( 1.102 0.000 25.619) 25.642 1.363 ( 2.935 0.000 -16.068) 16.334 1.661 ( -9.336 0.000 6.986) 11.661 1.672 ( 1.391 0.000 2.248) 2.644 1.818 ( -4.402 0.000 5.581) 7.108 2.080 ( -8.544 0.000 2.479) 8.897 2.205 ( 5.429 0.000 -9.208) 10.690 2.365 ( 12.885 0.000 -7.461) 14.889 2.486 ( 10.379 0.000 -0.616) 10.397 2.522 ( 2.385 0.000 -6.357) 6.790 2.555 ( -7.150 0.000 -1.047) 7.226 2.633 ( 3.704 0.000 8.037) 8.849 2.764 ( 0.982 0.000 -0.146) 0.993 2.808 ( 13.562 0.000 8.540) 16.027 2.978 ( -1.729 0.000 -2.722) 3.225 3.000 ( -0.378 0.000 -5.330) 5.343 3.052 ( -0.634 0.000 -7.504) 7.531 3.223 ( 1.958 0.000 -5.592) 5.925 3.285 ( -5.190 0.000 -3.484) 6.251 3.529 ( 3.215 0.000 -2.157) 3.871 3.561 ( -11.277 0.000 -6.649) 13.092 3.570 ( 6.657 0.000 4.375) 7.966 3.663 ( 3.443 0.000 8.556) 9.222 3.753 ( -10.657 0.000 -4.523) 11.577 3.844 ( 6.771 0.000 2.283) 7.146 3.939 ( -1.408 0.000 -3.982) 4.224 4.025 ( 3.380 0.000 -6.572) 7.390 4.150 ( -3.357 0.000 3.148) 4.602 4.176 ( -2.794 0.000 -1.081) 2.995 4.281 ( -3.903 0.000 4.835) 6.213 4.291 ( -2.437 0.000 -2.154) 3.252 4.353 ( -5.735 0.000 4.370) 7.210 4.445 ( 4.737 0.000 0.278) 4.745 4.486 ( 0.549 0.000 4.331) 4.366 4.510 ( 4.349 0.000 -2.918) 5.237 4.584 ( -2.327 0.000 2.713) 3.574 4.747 ( -1.183 0.000 3.781) 3.962 4.885 ( 7.012 0.000 -1.148) 7.105 4.930 ( -1.743 0.000 -2.155) 2.771 4.962 ( -3.708 0.000 0.364) 3.725 5.098 ( -1.882 0.000 0.507) 1.949 5.182 ( 3.333 0.000 3.937) 5.158 5.219 ( -7.462 0.000 -0.972) 7.526 5.328 ( -3.583 0.000 -0.406) 3.606 5.414 ( -7.296 0.000 -1.843) 7.526 5.573 ( -1.168 0.000 1.694) 2.057 5.633 ( 4.806 0.000 0.978) 4.905 5.765 ( 0.728 0.000 -5.578) 5.626 5.975 ( -5.492 0.000 -1.323) 5.649 6.022 ( -8.388 0.000 6.561) 10.649 6.095 ( -1.627 0.000 -5.305) 5.549 6.275 ( -0.221 0.000 5.836) 5.840 6.312 ( 2.746 0.000 6.924) 7.448 6.354 ( 3.698 0.000 -2.575) 4.506 6.617 ( 4.757 0.000 -5.701) 7.425 6.903 ( -1.195 0.000 -2.929) 3.164 6.978 ( -1.468 0.000 0.017) 1.468 7.032 ( -3.786 0.000 5.457) 6.642 7.130 ( 0.104 0.000 0.426) 0.439 7.206 ( 1.967 0.000 -4.070) 4.520 7.208 ( 2.554 0.000 -3.996) 4.742 7.296 ( 0.618 0.000 3.626) 3.678 7.365 ( 3.100 0.000 -0.735) 3.186 7.495 ( -0.062 0.000 -0.015) 0.064 7.594 ( -0.393 0.000 1.032) 1.104 7.642 ( 2.018 0.000 -2.715) 3.383 7.721 ( 0.500 0.000 -0.840) 0.978 7.856 ( 0.691 0.000 -0.515) 0.862 7.921 ( 5.571 0.000 -0.275) 5.578 7.951 ( -2.401 0.000 4.431) 5.040 7.992 ( -1.731 0.000 -1.714) 2.436 8.248 ( 7.321 0.000 -0.189) 7.324 8.333 ( -2.851 0.000 -3.126) 4.231 8.344 ( 0.237 0.000 4.884) 4.890 8.414 ( 0.103 0.000 -0.889) 0.895 8.659 ( -6.046 0.000 -5.957) 8.488 8.718 ( -1.713 0.000 4.249) 4.581 8.742 ( -2.758 0.000 2.970) 4.053 8.832 ( -1.943 0.000 0.341) 1.973 11.991 ( 0.273 0.000 0.105) 0.292 12.004 ( 0.297 0.000 -0.105) 0.315 13.126 ( 2.755 0.000 -1.332) 3.060 13.302 ( 3.981 0.000 0.357) 3.997 13.864 ( 1.320 0.000 -3.158) 3.423 13.878 ( 2.759 0.000 2.012) 3.415 13.883 ( 0.228 0.000 0.066) 0.238 13.910 ( -0.176 0.000 -0.679) 0.701 14.027 ( 5.504 0.000 -4.141) 6.888 14.367 ( 21.277 0.000 2.278) 21.399 14.648 ( -11.039 0.000 18.945) 21.926 14.963 ( -16.495 0.000 -25.437) 30.317 16.013 ( -0.227 0.000 1.632) 1.648 16.038 ( -0.831 0.000 2.573) 2.704 16.077 ( 1.159 0.000 0.692) 1.350 16.087 ( 0.036 0.000 -0.732) 0.733 16.112 ( 1.550 0.000 -2.220) 2.707 16.127 ( 2.430 0.000 -1.553) 2.884 16.361 ( 4.528 0.000 2.961) 5.410 16.395 ( 4.092 0.000 3.015) 5.083 17.729 ( 5.350 0.000 5.048) 7.356 17.765 ( 3.430 0.000 -0.028) 3.431 17.903 ( -6.004 0.000 -4.891) 7.744 18.023 ( -8.376 0.000 1.290) 8.475 18.347 ( 2.952 0.000 -5.749) 6.463 18.347 ( 6.866 0.000 6.762) 9.637 18.590 ( -9.509 0.000 1.159) 9.579 18.617 ( -5.465 0.000 -1.486) 5.663 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -12.299 0.000 13.129) 17.990 1.256 ( -20.155 0.000 13.864) 24.463 1.545 ( 19.578 0.000 5.706) 20.392 1.692 ( 2.237 0.000 16.068) 16.223 1.736 ( 1.490 0.000 4.556) 4.793 1.827 ( -3.653 0.000 8.985) 9.699 2.044 ( 0.797 0.000 6.656) 6.703 2.212 ( 5.485 0.000 -12.835) 13.958 2.359 ( -11.577 0.000 -14.133) 18.269 2.435 ( 0.032 0.000 -7.658) 7.658 2.505 ( 2.084 0.000 5.762) 6.128 2.578 ( 3.902 0.000 -4.028) 5.608 2.608 ( -2.016 0.000 -1.946) 2.802 2.770 ( -10.575 0.000 -11.799) 15.845 2.863 ( 3.307 0.000 2.013) 3.871 2.906 ( 0.034 0.000 -5.002) 5.002 2.916 ( -1.550 0.000 -7.477) 7.636 3.110 ( 5.670 0.000 -3.649) 6.742 3.317 ( 3.970 0.000 6.222) 7.380 3.337 ( 8.515 0.000 -0.862) 8.559 3.372 ( -0.337 0.000 -0.375) 0.504 3.566 ( -5.611 0.000 -1.670) 5.854 3.617 ( 6.347 0.000 1.711) 6.574 3.629 ( -8.072 0.000 -3.178) 8.675 3.734 ( 8.025 0.000 3.877) 8.913 3.920 ( -2.532 0.000 -1.375) 2.881 3.983 ( 5.305 0.000 2.523) 5.874 4.054 ( -5.460 0.000 -2.901) 6.183 4.075 ( 4.050 0.000 -1.491) 4.315 4.122 ( 2.073 0.000 1.914) 2.821 4.221 ( 1.447 0.000 -3.175) 3.489 4.264 ( -2.431 0.000 4.601) 5.204 4.385 ( -0.394 0.000 6.218) 6.231 4.466 ( -1.251 0.000 0.616) 1.395 4.515 ( -2.548 0.000 0.563) 2.610 4.592 ( 5.964 0.000 1.196) 6.083 4.608 ( -2.586 0.000 5.720) 6.278 4.719 ( -4.675 0.000 2.418) 5.263 4.809 ( -1.969 0.000 -5.412) 5.759 4.958 ( 1.167 0.000 -3.272) 3.474 5.016 ( 4.772 0.000 4.380) 6.477 5.114 ( -2.890 0.000 1.528) 3.269 5.134 ( -5.734 0.000 -2.838) 6.398 5.168 ( 5.419 0.000 4.751) 7.207 5.297 ( -0.308 0.000 -0.055) 0.313 5.382 ( 2.407 0.000 2.814) 3.703 5.570 ( -1.116 0.000 3.485) 3.659 5.606 ( -3.182 0.000 -7.048) 7.733 5.753 ( 2.166 0.000 -4.703) 5.178 5.827 ( -4.779 0.000 -9.205) 10.371 5.924 ( -4.440 0.000 1.694) 4.752 5.962 ( -2.641 0.000 -9.405) 9.769 6.307 ( -4.000 0.000 3.996) 5.654 6.403 ( 2.448 0.000 -0.308) 2.467 6.471 ( 2.254 0.000 10.183) 10.429 6.713 ( 6.827 0.000 1.863) 7.077 6.874 ( 1.412 0.000 -2.011) 2.457 7.004 ( 1.821 0.000 4.367) 4.732 7.019 ( -3.236 0.000 5.353) 6.255 7.098 ( -1.504 0.000 -7.344) 7.497 7.178 ( -0.955 0.000 -1.102) 1.458 7.199 ( 0.648 0.000 -3.282) 3.345 7.307 ( -2.385 0.000 -0.362) 2.413 7.423 ( -2.053 0.000 -3.550) 4.101 7.436 ( 4.831 0.000 -2.027) 5.239 7.549 ( -2.171 0.000 -1.439) 2.605 7.688 ( 2.300 0.000 0.895) 2.468 7.816 ( 4.722 0.000 5.859) 7.525 7.863 ( 0.627 0.000 -1.238) 1.388 7.896 ( -5.625 0.000 3.645) 6.702 7.976 ( -0.332 0.000 0.668) 0.746 7.985 ( 1.919 0.000 -2.675) 3.292 8.273 ( -1.777 0.000 -0.144) 1.783 8.284 ( 0.727 0.000 -2.629) 2.728 8.415 ( 1.362 0.000 -0.808) 1.584 8.446 ( -2.321 0.000 5.565) 6.030 8.531 ( 2.914 0.000 -5.799) 6.490 8.682 ( -4.222 0.000 0.203) 4.227 8.750 ( 0.825 0.000 2.941) 3.055 8.807 ( -0.424 0.000 -0.575) 0.714 11.995 ( -0.030 0.000 0.167) 0.170 12.007 ( 0.055 0.000 -0.117) 0.129 13.213 ( 3.857 0.000 5.839) 6.998 13.367 ( 1.445 0.000 3.207) 3.518 13.860 ( 0.847 0.000 -1.725) 1.922 13.888 ( 0.569 0.000 -0.390) 0.689 13.889 ( -1.861 0.000 -0.576) 1.948 13.913 ( 0.712 0.000 0.038) 0.713 14.066 ( 4.635 0.000 -7.219) 8.579 14.395 ( -12.561 0.000 -18.841) 22.644 14.553 ( -16.148 0.000 13.183) 20.845 14.936 ( 27.844 0.000 2.702) 27.975 16.022 ( -0.360 0.000 1.364) 1.410 16.050 ( -0.351 0.000 2.028) 2.058 16.060 ( -1.518 0.000 -2.140) 2.624 16.080 ( -0.407 0.000 -1.209) 1.276 16.133 ( 2.062 0.000 0.025) 2.062 16.170 ( 2.235 0.000 2.091) 3.060 16.352 ( -4.203 0.000 -3.223) 5.297 16.420 ( -3.131 0.000 -0.941) 3.269 17.797 ( -7.381 0.000 0.806) 7.425 17.813 ( -1.018 0.000 -0.420) 1.102 17.860 ( 5.508 0.000 1.301) 5.660 17.899 ( 0.148 0.000 0.041) 0.154 18.399 ( -9.377 0.000 -1.223) 9.456 18.409 ( 7.540 0.000 -1.398) 7.668 18.513 ( 3.536 0.000 4.902) 6.044 18.576 ( 0.688 0.000 2.242) 2.345 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -22.741 0.000 15.304) 27.411 0.961 ( -25.555 0.000 16.976) 30.680 1.555 ( -35.490 0.000 -14.649) 38.394 1.748 ( -4.313 0.000 6.285) 7.623 1.872 ( -0.383 0.000 8.956) 8.964 1.974 ( -1.095 0.000 8.315) 8.387 2.006 ( 10.794 0.000 11.707) 15.924 2.177 ( 6.181 0.000 6.362) 8.871 2.256 ( 7.625 0.000 -12.676) 14.792 2.305 ( -4.805 0.000 -6.148) 7.803 2.458 ( -9.423 0.000 -7.196) 11.856 2.554 ( 2.230 0.000 -5.191) 5.650 2.642 ( 2.452 0.000 -0.528) 2.508 2.707 ( 6.750 0.000 3.933) 7.812 2.854 ( 4.778 0.000 -5.140) 7.018 2.916 ( 1.110 0.000 -1.223) 1.652 2.967 ( 8.421 0.000 -3.849) 9.259 3.089 ( -0.818 0.000 -4.043) 4.125 3.316 ( 4.859 0.000 -8.817) 10.067 3.348 ( -5.258 0.000 5.161) 7.368 3.437 ( -4.015 0.000 -2.361) 4.658 3.521 ( 3.565 0.000 2.297) 4.241 3.538 ( -1.025 0.000 -0.408) 1.104 3.803 ( 8.002 0.000 3.106) 8.584 3.855 ( 0.016 0.000 -0.791) 0.791 3.883 ( 3.063 0.000 -0.850) 3.179 3.921 ( -1.049 0.000 -4.852) 4.964 4.103 ( 3.538 0.000 -1.453) 3.824 4.129 ( 5.336 0.000 4.075) 6.714 4.190 ( 3.189 0.000 -5.084) 6.001 4.259 ( -2.999 0.000 -1.406) 3.312 4.303 ( 1.551 0.000 6.442) 6.626 4.412 ( -3.300 0.000 1.295) 3.545 4.416 ( 1.318 0.000 3.338) 3.589 4.523 ( -1.294 0.000 6.270) 6.402 4.600 ( 2.415 0.000 2.047) 3.166 4.601 ( -3.413 0.000 -3.212) 4.686 4.707 ( -0.607 0.000 6.467) 6.495 4.845 ( 4.747 0.000 2.911) 5.569 4.851 ( -6.761 0.000 -3.087) 7.433 5.059 ( -0.142 0.000 -1.670) 1.676 5.073 ( 1.683 0.000 1.200) 2.067 5.243 ( 7.968 0.000 6.541) 10.309 5.284 ( -1.247 0.000 -2.973) 3.224 5.352 ( 8.565 0.000 1.958) 8.786 5.403 ( -2.496 0.000 -4.560) 5.198 5.511 ( 0.684 0.000 -0.373) 0.780 5.545 ( -4.321 0.000 -7.695) 8.826 5.666 ( -2.082 0.000 -0.018) 2.082 5.695 ( -1.903 0.000 -3.605) 4.077 5.841 ( -2.416 0.000 -5.606) 6.104 5.952 ( 4.891 0.000 1.483) 5.111 6.221 ( -7.976 0.000 2.460) 8.347 6.419 ( -1.404 0.000 1.056) 1.757 6.483 ( -8.393 0.000 3.927) 9.266 6.859 ( 3.866 0.000 0.603) 3.913 6.948 ( 6.933 0.000 -0.329) 6.941 6.950 ( -1.801 0.000 -8.651) 8.836 7.014 ( -2.101 0.000 2.833) 3.527 7.104 ( 2.685 0.000 4.723) 5.433 7.136 ( -2.605 0.000 -1.244) 2.887 7.185 ( 1.299 0.000 -1.342) 1.868 7.242 ( -1.291 0.000 -1.979) 2.363 7.387 ( -2.007 0.000 1.558) 2.541 7.427 ( -4.009 0.000 0.927) 4.115 7.577 ( 7.461 0.000 -5.260) 9.129 7.730 ( 1.074 0.000 1.971) 2.244 7.809 ( -6.593 0.000 0.885) 6.652 7.821 ( -3.583 0.000 -1.605) 3.926 7.937 ( 3.728 0.000 1.433) 3.994 7.989 ( 0.413 0.000 3.256) 3.282 8.013 ( 2.739 0.000 -0.828) 2.861 8.242 ( -1.323 0.000 1.174) 1.768 8.296 ( 1.513 0.000 0.106) 1.516 8.357 ( -4.755 0.000 -1.915) 5.126 8.436 ( 1.752 0.000 -2.706) 3.224 8.600 ( 1.675 0.000 3.360) 3.754 8.608 ( -1.656 0.000 -1.122) 2.000 8.796 ( -0.174 0.000 -0.984) 0.999 8.836 ( 4.951 0.000 2.141) 5.394 11.993 ( -0.307 0.000 0.192) 0.362 12.004 ( -0.253 0.000 -0.159) 0.299 13.351 ( 2.320 0.000 8.013) 8.342 13.419 ( 0.911 0.000 2.258) 2.435 13.782 ( -7.670 0.000 -5.902) 9.678 13.861 ( -0.091 0.000 0.222) 0.240 13.896 ( 0.450 0.000 -0.021) 0.450 13.919 ( 0.325 0.000 -0.580) 0.664 14.071 ( 4.463 0.000 -6.974) 8.280 14.095 ( -2.572 0.000 -9.443) 9.787 14.330 ( -17.195 0.000 6.248) 18.295 15.473 ( 26.994 0.000 -2.548) 27.114 15.985 ( -3.738 0.000 -2.474) 4.483 16.027 ( -0.309 0.000 0.890) 0.942 16.035 ( -2.798 0.000 -2.089) 3.492 16.062 ( 0.408 0.000 0.290) 0.501 16.202 ( 2.655 0.000 6.401) 6.930 16.233 ( -3.547 0.000 -2.828) 4.537 16.268 ( 3.402 0.000 8.874) 9.504 16.318 ( -4.082 0.000 -2.728) 4.909 17.556 ( -16.377 0.000 -0.540) 16.386 17.806 ( -1.229 0.000 1.507) 1.944 17.894 ( -1.888 0.000 -3.501) 3.978 17.968 ( 4.784 0.000 0.452) 4.805 18.281 ( -1.284 0.000 0.013) 1.284 18.572 ( 6.704 0.000 3.272) 7.459 18.573 ( -0.136 0.000 0.312) 0.340 18.657 ( 6.505 0.000 0.364) 6.515 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -34.266 0.000 -5.536) 34.710 0.693 ( -23.986 0.000 26.104) 35.450 0.786 ( -29.298 0.000 24.239) 38.025 1.694 ( -7.029 0.000 6.275) 9.422 1.960 ( -0.518 0.000 7.251) 7.269 1.996 ( -5.844 0.000 6.264) 8.567 2.069 ( -3.348 0.000 -0.503) 3.385 2.206 ( -0.766 0.000 -2.212) 2.341 2.254 ( -2.951 0.000 0.324) 2.969 2.277 ( 8.214 0.000 -12.635) 15.071 2.465 ( 8.745 0.000 3.170) 9.302 2.574 ( 2.286 0.000 -0.296) 2.305 2.670 ( 1.730 0.000 -2.615) 3.135 2.727 ( -2.374 0.000 -5.868) 6.330 2.830 ( -4.078 0.000 0.982) 4.195 2.848 ( -2.889 0.000 -11.227) 11.593 3.049 ( 3.882 0.000 -2.384) 4.555 3.177 ( 8.979 0.000 -3.568) 9.662 3.314 ( -4.604 0.000 3.779) 5.957 3.352 ( 6.498 0.000 -5.373) 8.431 3.398 ( -1.029 0.000 2.715) 2.903 3.540 ( 1.767 0.000 0.694) 1.898 3.584 ( 2.225 0.000 0.768) 2.354 3.841 ( 2.055 0.000 -6.288) 6.615 3.877 ( 1.271 0.000 0.559) 1.388 3.942 ( 8.272 0.000 -2.452) 8.628 3.949 ( 1.794 0.000 -0.050) 1.795 4.096 ( -3.986 0.000 -5.766) 7.010 4.113 ( -3.811 0.000 -9.089) 9.855 4.200 ( 3.318 0.000 3.570) 4.874 4.267 ( -0.346 0.000 9.331) 9.338 4.306 ( -3.164 0.000 0.236) 3.173 4.432 ( -0.772 0.000 1.234) 1.455 4.456 ( 4.313 0.000 -0.440) 4.336 4.538 ( -0.494 0.000 -0.782) 0.925 4.603 ( 2.321 0.000 1.400) 2.710 4.706 ( 0.118 0.000 4.798) 4.799 4.729 ( -0.467 0.000 2.287) 2.334 4.731 ( -1.131 0.000 0.264) 1.161 5.023 ( 5.903 0.000 9.940) 11.560 5.090 ( 2.370 0.000 -0.454) 2.414 5.150 ( 0.447 0.000 -16.379) 16.386 5.199 ( -3.448 0.000 -2.799) 4.441 5.253 ( -0.136 0.000 7.208) 7.209 5.297 ( 1.922 0.000 -3.721) 4.188 5.400 ( -3.491 0.000 -2.809) 4.481 5.489 ( 4.373 0.000 1.903) 4.769 5.570 ( -0.470 0.000 5.387) 5.408 5.660 ( -1.731 0.000 -1.440) 2.251 5.661 ( 0.756 0.000 0.329) 0.824 5.952 ( 13.130 0.000 25.755) 28.909 6.078 ( 4.504 0.000 3.085) 5.459 6.092 ( -6.574 0.000 1.434) 6.729 6.315 ( -10.651 0.000 2.438) 10.927 6.376 ( -3.696 0.000 0.889) 3.802 6.726 ( -2.616 0.000 -10.094) 10.427 6.987 ( -0.130 0.000 -2.363) 2.367 7.032 ( 4.452 0.000 2.347) 5.033 7.060 ( 5.276 0.000 -2.516) 5.846 7.110 ( 1.140 0.000 0.318) 1.184 7.144 ( 1.823 0.000 -0.506) 1.892 7.197 ( -2.044 0.000 -2.644) 3.342 7.255 ( 2.218 0.000 4.476) 4.995 7.363 ( -3.610 0.000 0.946) 3.732 7.379 ( -2.344 0.000 5.385) 5.873 7.614 ( -0.815 0.000 -8.660) 8.698 7.700 ( -1.473 0.000 -0.988) 1.774 7.735 ( -2.399 0.000 -3.205) 4.003 7.785 ( 2.405 0.000 2.813) 3.701 7.988 ( -2.128 0.000 1.544) 2.629 8.007 ( 0.224 0.000 1.064) 1.087 8.030 ( -0.957 0.000 -4.081) 4.192 8.228 ( -3.776 0.000 -3.015) 4.832 8.263 ( -1.539 0.000 0.856) 1.761 8.291 ( -0.590 0.000 -1.854) 1.946 8.473 ( 5.326 0.000 -0.793) 5.385 8.609 ( 0.466 0.000 0.112) 0.480 8.729 ( 7.277 0.000 14.794) 16.487 8.784 ( -0.118 0.000 0.073) 0.138 8.927 ( 3.126 0.000 -0.479) 3.163 11.990 ( -0.282 0.000 0.168) 0.329 11.996 ( -0.288 0.000 -0.188) 0.344 13.320 ( -11.124 0.000 -21.943) 24.601 13.385 ( -3.328 0.000 -1.039) 3.486 13.590 ( -3.919 0.000 -0.364) 3.936 13.856 ( -0.895 0.000 0.807) 1.205 13.899 ( -0.215 0.000 0.071) 0.227 13.918 ( 0.364 0.000 -0.527) 0.640 14.059 ( 1.319 0.000 -0.590) 1.445 14.095 ( -10.031 0.000 0.162) 10.032 14.160 ( 5.898 0.000 6.689) 8.918 15.797 ( 15.687 0.000 -12.085) 19.803 15.914 ( -1.870 0.000 0.354) 1.903 15.957 ( -3.197 0.000 -0.348) 3.216 16.029 ( -0.133 0.000 0.430) 0.450 16.069 ( 0.982 0.000 -1.538) 1.825 16.178 ( -0.550 0.000 -1.688) 1.775 16.249 ( -1.036 0.000 -1.962) 2.219 16.359 ( 3.933 0.000 6.398) 7.510 16.459 ( 4.658 0.000 5.826) 7.459 17.261 ( -14.055 0.000 9.976) 17.235 17.786 ( -1.630 0.000 -0.165) 1.638 17.798 ( -3.553 0.000 -4.395) 5.652 18.047 ( 2.887 0.000 1.333) 3.180 18.305 ( 2.472 0.000 -1.062) 2.690 18.526 ( -2.515 0.000 0.853) 2.656 18.636 ( 0.113 0.000 -1.684) 1.688 18.809 ( 7.129 0.000 -0.003) 7.129 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 5.093 16.053 11.734) 20.526 0.778 ( 20.687 13.962 27.161) 36.886 1.305 ( -11.376 30.193 31.110) 44.820 1.679 ( -3.794 3.196 -1.211) 5.106 1.937 ( -1.905 3.613 -4.164) 5.833 2.020 ( -4.949 3.653 -0.753) 6.197 2.101 ( 6.446 -0.586 -2.564) 6.962 2.147 ( -1.965 4.254 0.623) 4.727 2.305 ( -0.898 5.354 0.028) 5.429 2.427 ( 2.843 7.843 -10.781) 13.632 2.478 ( -8.372 3.494 1.902) 9.269 2.615 ( 4.689 1.336 -3.104) 5.780 2.693 ( 0.106 5.449 1.235) 5.588 2.738 ( 2.926 5.875 -6.723) 9.395 2.781 ( 2.102 4.784 0.809) 5.288 2.878 ( -3.849 4.560 -2.366) 6.419 3.105 ( 6.305 -1.898 0.873) 6.642 3.200 ( 0.737 -0.630 0.022) 0.970 3.270 ( -3.575 1.181 -3.722) 5.294 3.345 ( 3.241 -4.090 1.220) 5.359 3.362 ( -1.607 -3.146 -2.059) 4.089 3.557 ( 0.436 -2.309 4.140) 4.760 3.671 ( -2.381 3.803 -0.464) 4.511 3.774 ( 0.265 -3.573 -2.657) 4.460 3.860 ( 0.432 -4.215 -5.613) 7.032 3.908 ( 1.430 0.395 -2.617) 3.008 3.921 ( 2.922 -0.859 -2.916) 4.216 4.088 ( -2.998 1.426 -1.601) 3.686 4.147 ( 4.805 0.043 4.225) 6.398 4.240 ( -0.004 -0.859 -3.671) 3.771 4.297 ( -0.219 -0.187 -0.286) 0.406 4.348 ( -1.704 0.169 -0.201) 1.724 4.436 ( -1.069 3.285 -1.040) 3.608 4.486 ( -2.778 0.677 -4.917) 5.688 4.543 ( -5.389 0.428 -2.832) 6.103 4.555 ( 1.162 2.450 -1.153) 2.947 4.635 ( -2.715 -3.831 -0.825) 4.767 4.711 ( -3.793 -0.494 0.574) 3.867 4.800 ( -0.850 1.699 1.367) 2.341 4.944 ( 3.665 1.199 -1.831) 4.269 5.043 ( -0.533 -1.228 -1.711) 2.172 5.161 ( 1.788 -0.686 0.099) 1.918 5.210 ( -3.809 1.433 1.385) 4.299 5.251 ( 5.413 -1.448 3.508) 6.611 5.374 ( 4.746 -4.795 3.675) 7.683 5.440 ( -1.260 -6.223 0.030) 6.350 5.501 ( -4.190 1.103 0.271) 4.341 5.581 ( 0.669 -2.024 2.769) 3.494 5.690 ( 4.901 2.142 2.851) 6.061 5.838 ( 3.879 3.621 4.290) 6.824 5.921 ( -3.478 -6.349 5.041) 8.822 6.188 ( -2.726 4.571 1.444) 5.515 6.205 ( -1.046 -6.272 8.828) 10.879 6.303 ( -0.110 0.684 4.363) 4.417 6.594 ( 14.624 -10.208 -1.143) 17.871 6.639 ( 2.557 -3.278 -5.856) 7.182 6.854 ( -5.837 -4.318 2.049) 7.544 6.961 ( -0.578 -7.249 -2.152) 7.584 7.056 ( -3.052 -3.171 1.098) 4.536 7.083 ( 6.741 -0.911 -3.358) 7.586 7.138 ( 1.316 0.369 0.782) 1.575 7.196 ( -2.244 1.130 -2.357) 3.445 7.241 ( -6.521 0.167 -1.534) 6.701 7.277 ( -0.671 -3.374 6.464) 7.322 7.403 ( 2.938 2.169 -0.168) 3.656 7.473 ( 0.788 -5.801 2.611) 6.410 7.573 ( -2.219 -1.984 -0.829) 3.090 7.742 ( -0.160 4.218 -4.851) 6.430 7.871 ( 2.137 -1.447 -0.010) 2.581 7.902 ( 2.761 1.119 -2.473) 3.872 7.967 ( -3.468 2.885 -2.846) 5.334 8.045 ( -1.029 7.707 -0.838) 7.821 8.228 ( -4.754 5.619 5.485) 9.179 8.267 ( 0.155 0.174 3.188) 3.196 8.356 ( 2.152 2.352 -1.437) 3.497 8.556 ( -1.650 0.384 -3.634) 4.009 8.606 ( 2.483 1.718 4.346) 5.292 8.763 ( -2.068 -6.924 7.899) 10.705 8.811 ( 0.067 -0.460 1.697) 1.759 8.916 ( -0.449 -1.248 -2.711) 3.018 12.068 ( 0.149 6.745 0.615) 6.774 12.353 ( -0.649 16.269 -16.605) 23.256 12.893 ( 4.376 -1.401 2.138) 5.068 13.147 ( -2.566 -9.207 -4.874) 10.729 13.633 ( 0.871 3.667 3.319) 5.022 13.879 ( -1.913 0.157 -1.130) 2.227 13.908 ( -1.250 2.834 3.826) 4.922 13.980 ( -1.782 1.823 -3.242) 4.124 14.025 ( -1.581 5.789 -3.610) 7.003 14.135 ( 1.779 8.996 -2.108) 9.409 14.446 ( 5.911 6.498 17.458) 19.543 15.606 ( 1.596 -18.728 -12.445) 22.543 15.968 ( 1.021 1.093 0.282) 1.523 15.993 ( 1.478 1.384 0.700) 2.142 16.041 ( 0.025 1.937 1.952) 2.750 16.078 ( 1.731 0.553 0.653) 1.930 16.147 ( -3.540 0.812 -0.770) 3.713 16.201 ( -3.145 -0.086 -0.650) 3.212 16.295 ( -3.978 4.301 -5.300) 7.900 16.365 ( -8.708 2.199 -8.438) 12.324 17.465 ( 1.836 9.039 12.643) 15.650 17.736 ( -0.354 -1.283 -1.148) 1.758 17.839 ( 5.892 2.097 3.609) 7.221 18.067 ( -0.557 -2.479 2.197) 3.359 18.249 ( 0.450 -5.746 -1.790) 6.035 18.488 ( -2.837 -7.322 -7.465) 10.835 18.567 ( 7.295 -5.694 7.269) 11.767 18.770 ( -1.541 -9.213 -1.111) 9.407 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 11.916 12.781 11.750) 21.058 1.298 ( 0.604 21.188 26.504) 33.937 1.574 ( 0.603 3.050 -0.971) 3.257 1.663 ( 12.324 8.788 12.018) 19.327 1.740 ( -6.471 5.502 -7.851) 11.566 1.979 ( -10.381 1.283 -4.580) 11.418 2.022 ( -0.208 0.573 3.493) 3.546 2.159 ( 9.514 -0.698 -11.830) 15.197 2.340 ( 1.047 5.631 1.893) 6.032 2.366 ( 0.852 7.899 5.775) 9.822 2.520 ( 4.988 5.175 2.417) 7.583 2.595 ( 0.339 4.992 -7.283) 8.836 2.653 ( 3.049 6.653 -3.640) 8.174 2.741 ( -4.237 -1.043 -3.774) 5.769 2.791 ( 1.770 4.154 0.034) 4.515 2.910 ( 1.583 -0.890 6.153) 6.415 3.110 ( -3.308 -0.221 -7.562) 8.257 3.192 ( 1.176 4.755 -4.280) 6.504 3.248 ( -3.347 -5.411 2.308) 6.768 3.329 ( 4.426 -0.949 1.069) 4.651 3.361 ( -3.430 -2.617 -0.688) 4.369 3.554 ( -2.688 -1.959 0.027) 3.326 3.579 ( 1.139 2.268 0.157) 2.543 3.799 ( 0.517 3.076 -0.652) 3.186 3.828 ( 1.883 1.626 -5.900) 6.403 3.901 ( 0.490 -0.077 -2.728) 2.773 3.979 ( -0.531 -1.323 -2.392) 2.785 4.049 ( -1.060 -3.348 3.900) 5.248 4.110 ( -4.452 -0.490 -8.102) 9.257 4.205 ( -4.116 -1.737 0.171) 4.470 4.297 ( -0.289 -1.854 3.762) 4.204 4.335 ( 0.778 0.801 -0.558) 1.248 4.372 ( -1.861 2.007 2.505) 3.710 4.418 ( -1.182 -0.102 -0.950) 1.519 4.459 ( 1.610 1.689 -0.983) 2.532 4.553 ( -0.336 2.528 -3.047) 3.974 4.629 ( -2.127 -0.966 2.733) 3.595 4.689 ( 0.312 0.097 3.165) 3.181 4.805 ( 1.656 1.460 0.185) 2.215 4.972 ( 1.478 0.263 -5.248) 5.458 5.053 ( -4.600 0.617 3.156) 5.613 5.079 ( 2.775 0.888 0.957) 3.066 5.212 ( -5.188 1.895 -0.084) 5.523 5.342 ( -5.638 -5.000 0.605) 7.560 5.373 ( -4.565 -1.990 0.307) 4.990 5.439 ( 2.885 -3.951 1.661) 5.167 5.466 ( 4.035 -0.391 2.800) 4.927 5.617 ( 0.667 0.629 -1.212) 1.519 5.767 ( -0.644 -0.730 -1.161) 1.515 5.857 ( 1.231 -9.854 2.420) 10.222 6.012 ( 1.403 0.019 8.118) 8.238 6.164 ( -1.448 4.114 4.405) 6.200 6.197 ( -7.575 -5.010 9.071) 12.836 6.319 ( 0.883 2.467 -0.911) 2.774 6.521 ( -7.860 2.993 -2.369) 8.738 6.620 ( -0.345 -4.352 -9.528) 10.481 6.869 ( -0.486 -8.835 0.998) 8.904 6.932 ( 0.972 -2.712 -3.912) 4.858 7.055 ( 1.007 -5.947 1.208) 6.152 7.100 ( -0.028 0.844 -3.845) 3.936 7.122 ( -1.013 -1.313 -0.616) 1.769 7.220 ( 5.798 1.506 -1.927) 6.293 7.246 ( 1.105 0.279 2.913) 3.129 7.336 ( 2.831 -3.314 4.895) 6.554 7.390 ( -1.819 0.208 1.499) 2.367 7.526 ( -0.339 -2.691 -2.482) 3.676 7.605 ( 7.951 -5.474 -1.258) 9.735 7.759 ( 2.009 2.326 2.524) 3.977 7.825 ( -2.759 3.035 -6.425) 7.622 7.933 ( 2.053 0.208 -3.442) 4.014 7.941 ( 1.083 0.033 1.263) 1.664 8.071 ( 3.973 7.796 0.324) 8.756 8.192 ( -1.542 5.237 3.123) 6.290 8.311 ( -0.596 0.223 4.327) 4.374 8.394 ( 1.322 1.154 0.947) 1.994 8.457 ( -4.060 -0.327 -3.249) 5.210 8.684 ( 0.031 0.688 3.693) 3.757 8.758 ( -3.528 -2.226 4.622) 6.226 8.787 ( -2.554 -1.121 -3.154) 4.210 8.879 ( -0.943 1.536 0.036) 1.802 12.075 ( -0.289 6.787 0.831) 6.844 12.150 ( -4.936 12.796 -4.031) 14.295 13.061 ( 1.160 -6.834 -4.736) 8.396 13.135 ( 11.648 -5.023 -3.368) 13.124 13.721 ( 3.588 -0.065 3.581) 5.070 13.853 ( 0.461 -0.885 -0.031) 0.998 13.907 ( -1.100 2.339 1.773) 3.134 13.948 ( 0.003 0.725 -0.323) 0.794 14.015 ( 5.039 4.120 -2.518) 6.979 14.194 ( 6.280 11.390 -2.034) 13.165 14.681 ( -0.480 9.266 18.283) 20.502 15.344 ( -12.030 -16.490 -21.553) 29.685 15.987 ( 0.017 -0.649 1.328) 1.478 16.024 ( -1.451 1.050 1.926) 2.630 16.057 ( -1.951 1.555 2.037) 3.221 16.088 ( -2.222 0.837 -1.546) 2.834 16.131 ( 2.957 1.190 0.124) 3.190 16.143 ( 2.767 2.255 1.013) 3.711 16.234 ( 2.820 1.847 -0.400) 3.394 16.291 ( 3.579 1.019 -0.021) 3.721 17.619 ( 4.248 4.810 6.597) 9.203 17.725 ( 0.863 -0.943 -1.269) 1.801 18.023 ( -5.296 -3.237 -0.383) 6.219 18.041 ( 3.290 1.586 9.659) 10.327 18.221 ( 1.408 -2.232 -1.936) 3.273 18.341 ( -1.961 -7.578 -9.853) 12.584 18.658 ( -6.790 -9.867 -2.554) 12.247 18.685 ( -1.644 -2.521 2.583) 3.967 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 6.663 10.598 7.294) 14.489 1.399 ( 2.457 4.022 -15.415) 16.120 1.512 ( -0.944 15.186 18.082) 23.632 1.618 ( -0.166 4.098 2.600) 4.856 1.832 ( -3.276 5.303 1.396) 6.388 1.856 ( -4.536 4.015 4.854) 7.763 2.031 ( -1.855 1.131 -0.813) 2.320 2.272 ( -0.223 4.677 -4.935) 6.803 2.349 ( 10.670 -0.976 -0.736) 10.739 2.499 ( 0.593 -0.529 -3.639) 3.725 2.556 ( 2.515 3.923 -3.164) 5.633 2.608 ( -1.786 3.375 -4.050) 5.566 2.653 ( 2.428 3.931 8.320) 9.517 2.782 ( -0.501 1.304 -1.014) 1.726 2.837 ( 9.306 2.119 3.853) 10.292 2.938 ( 0.472 -1.866 5.235) 5.578 3.012 ( -1.690 0.315 -5.259) 5.533 3.129 ( -1.681 4.086 -3.324) 5.529 3.203 ( -0.862 -1.267 -1.290) 2.003 3.279 ( 1.760 4.693 -4.025) 6.429 3.390 ( -2.626 -8.195 -2.032) 8.843 3.517 ( -5.367 -3.313 1.651) 6.520 3.691 ( 4.447 1.845 6.532) 8.114 3.749 ( 1.448 8.048 -5.130) 9.653 3.764 ( -6.237 2.150 -3.671) 7.550 3.848 ( 2.421 0.150 0.294) 2.444 3.928 ( -1.148 -0.159 -3.019) 3.234 4.006 ( 2.211 -1.038 -4.848) 5.428 4.091 ( -2.507 -2.637 1.443) 3.914 4.133 ( -2.654 -4.049 1.662) 5.119 4.313 ( -2.585 3.189 -0.135) 4.107 4.344 ( 0.821 1.811 2.411) 3.125 4.360 ( -1.385 0.103 2.973) 3.282 4.479 ( 1.948 2.000 -3.860) 4.763 4.496 ( 1.859 0.004 -0.272) 1.878 4.527 ( 2.673 4.130 5.715) 7.541 4.597 ( -2.029 0.769 0.927) 2.359 4.738 ( -0.976 -0.457 3.710) 3.863 4.849 ( 2.888 -2.632 -1.575) 4.213 4.958 ( -0.720 1.159 0.149) 1.373 4.984 ( -2.862 1.853 -0.622) 3.466 5.103 ( -3.177 0.388 0.719) 3.281 5.187 ( 3.007 -1.235 1.693) 3.665 5.218 ( -7.185 0.738 -0.467) 7.238 5.276 ( -1.626 -3.168 1.096) 3.726 5.414 ( -6.547 1.391 0.029) 6.693 5.587 ( 1.424 -1.703 0.151) 2.225 5.609 ( 3.836 -1.004 -0.523) 3.999 5.726 ( 0.841 -3.498 -5.790) 6.817 5.878 ( -4.180 -8.546 2.888) 9.942 6.015 ( -5.086 -0.816 1.075) 5.262 6.130 ( -4.086 -0.045 1.384) 4.314 6.270 ( 4.461 0.696 8.169) 9.333 6.322 ( -0.521 2.737 -1.199) 3.034 6.398 ( -0.028 2.987 -4.045) 5.029 6.567 ( 2.588 -4.336 -4.223) 6.583 6.851 ( -1.249 -7.429 0.294) 7.539 6.906 ( -0.392 -1.398 -1.381) 2.004 7.038 ( -3.128 -2.009 2.611) 4.543 7.098 ( 2.108 -3.999 -3.654) 5.813 7.115 ( -0.015 -2.595 1.152) 2.839 7.262 ( 0.827 -2.245 -0.082) 2.394 7.306 ( 2.395 3.263 -1.479) 4.309 7.376 ( -1.324 -5.102 -0.537) 5.299 7.442 ( 5.039 3.938 -2.210) 6.767 7.521 ( 1.433 -6.020 2.524) 6.683 7.702 ( 2.674 1.686 -4.043) 5.132 7.731 ( 0.892 3.013 1.281) 3.393 7.838 ( 1.528 -0.186 0.787) 1.729 7.897 ( -3.333 0.970 1.047) 3.626 7.961 ( 1.962 -2.193 -1.871) 3.487 8.135 ( 0.979 9.035 2.258) 9.364 8.281 ( 6.039 3.288 0.644) 6.906 8.311 ( -1.532 -1.827 1.081) 2.618 8.361 ( -3.113 1.661 0.003) 3.528 8.421 ( 0.368 0.602 1.112) 1.317 8.624 ( -5.281 -2.351 -3.392) 6.702 8.733 ( -1.732 -0.141 2.160) 2.772 8.756 ( -1.313 2.832 1.853) 3.630 8.861 ( -1.149 2.782 -0.385) 3.035 12.067 ( -0.814 6.712 -0.215) 6.765 12.086 ( -0.796 7.560 -0.144) 7.603 13.055 ( 1.944 -6.606 -0.594) 6.912 13.269 ( 5.168 -3.488 -0.623) 6.266 13.777 ( 2.566 -4.149 -1.654) 5.151 13.848 ( -1.444 -0.967 0.774) 1.903 13.908 ( -0.656 1.426 0.640) 1.695 13.965 ( 0.457 2.153 0.925) 2.387 14.194 ( 9.946 11.658 -1.298) 15.379 14.351 ( 14.979 1.747 2.675) 15.316 14.759 ( -9.428 8.366 9.929) 16.046 14.846 ( -14.565 -8.567 -17.962) 24.661 15.999 ( 0.353 -3.339 0.199) 3.363 16.009 ( -0.601 -0.540 0.855) 1.176 16.047 ( -0.288 -0.026 -0.300) 0.416 16.066 ( -0.657 0.091 3.075) 3.146 16.163 ( 0.885 2.348 -1.925) 3.163 16.181 ( 1.209 2.597 -0.950) 3.018 16.364 ( 4.540 0.260 3.266) 5.598 16.397 ( 3.939 0.175 2.850) 4.865 17.734 ( 2.548 -2.045 1.186) 3.476 17.769 ( 4.706 1.600 2.012) 5.362 17.864 ( -4.997 -3.330 -5.134) 7.900 18.020 ( -7.215 -0.450 0.546) 7.250 18.277 ( 2.820 -7.186 -4.544) 8.958 18.372 ( 7.557 2.503 6.187) 10.082 18.505 ( -5.715 -10.376 -1.156) 11.902 18.605 ( -7.778 1.281 -0.414) 7.894 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -11.756 6.529 -1.229) 13.504 1.546 ( 8.408 8.376 8.859) 14.810 1.623 ( -6.174 16.312 11.523) 20.904 1.693 ( 10.951 1.934 3.865) 11.773 1.792 ( -0.853 1.307 3.022) 3.401 1.896 ( -3.534 6.360 11.188) 13.346 2.046 ( 4.363 2.407 5.665) 7.545 2.236 ( 1.458 1.840 -6.364) 6.783 2.406 ( -12.428 3.958 -12.308) 17.934 2.462 ( 1.409 1.064 2.036) 2.695 2.514 ( 0.099 0.969 -8.098) 8.156 2.529 ( 4.122 -5.035 -5.872) 8.765 2.651 ( 1.419 5.104 1.218) 5.435 2.776 ( -3.428 1.969 -4.787) 6.208 2.833 ( -2.839 -2.019 -3.668) 5.059 2.909 ( -1.194 2.880 -4.782) 5.708 3.013 ( -0.413 7.113 0.593) 7.150 3.163 ( -2.257 -5.643 0.241) 6.083 3.190 ( 0.329 -0.459 -1.348) 1.461 3.322 ( 4.456 -3.235 1.750) 5.778 3.379 ( 1.539 1.153 -0.637) 2.026 3.433 ( 1.393 -4.265 4.701) 6.499 3.696 ( -0.865 5.143 -4.677) 7.005 3.729 ( 2.776 4.362 0.518) 5.196 3.797 ( 2.754 4.732 0.726) 5.523 3.905 ( -0.454 -8.297 1.523) 8.448 3.965 ( 3.292 0.649 2.577) 4.231 3.969 ( -2.753 2.272 -1.180) 3.759 4.066 ( 4.089 -0.647 -2.797) 4.996 4.144 ( 0.915 -1.463 3.420) 3.831 4.260 ( 0.930 2.579 -0.471) 2.782 4.355 ( -1.845 6.564 1.145) 6.914 4.396 ( 0.134 1.223 2.790) 3.049 4.476 ( -1.053 0.932 1.600) 2.130 4.501 ( -3.084 0.229 -0.875) 3.213 4.577 ( 3.686 -1.512 1.495) 4.255 4.661 ( 0.515 3.529 4.802) 5.981 4.692 ( -5.361 -1.230 0.899) 5.573 4.796 ( -2.368 -0.814 -6.056) 6.553 4.911 ( 0.253 -4.793 -2.576) 5.447 5.045 ( 4.156 2.453 3.599) 6.020 5.123 ( -3.103 0.561 3.131) 4.444 5.149 ( 2.460 -1.578 4.654) 5.496 5.195 ( -1.224 4.241 -2.614) 5.130 5.266 ( -1.272 -0.822 1.189) 1.925 5.368 ( 2.424 -0.428 2.548) 3.543 5.572 ( -3.046 -3.436 -6.697) 8.120 5.622 ( 0.718 2.056 3.111) 3.797 5.707 ( 0.241 -2.729 -6.214) 6.791 5.803 ( -0.755 -5.310 -2.252) 5.817 5.923 ( -4.485 1.137 -0.827) 4.701 6.013 ( -4.083 4.384 -9.117) 10.909 6.277 ( -3.969 -2.039 3.222) 5.503 6.407 ( 1.961 -0.556 -0.355) 2.069 6.465 ( 4.032 0.712 7.765) 8.778 6.616 ( 4.493 -7.707 1.350) 9.023 6.840 ( 0.836 -4.154 -1.054) 4.366 6.918 ( 0.541 -4.519 3.457) 5.716 7.013 ( -2.026 -2.842 1.503) 3.800 7.083 ( 1.088 -0.929 -4.954) 5.157 7.140 ( 0.542 -5.063 1.656) 5.355 7.215 ( -3.778 -3.959 -6.208) 8.276 7.275 ( 0.844 3.065 -3.274) 4.563 7.374 ( -0.555 -1.620 1.753) 2.451 7.499 ( 5.906 0.160 -5.571) 8.120 7.564 ( -2.475 1.985 4.066) 5.158 7.697 ( 1.653 1.232 -1.801) 2.737 7.788 ( -2.840 1.692 7.027) 7.765 7.837 ( 0.464 -3.239 -2.154) 3.918 7.891 ( 1.998 1.791 2.774) 3.860 7.994 ( 2.372 0.781 -0.772) 2.614 8.112 ( -3.230 6.238 -2.412) 7.427 8.258 ( -2.246 -0.909 -0.541) 2.483 8.305 ( -0.776 0.692 -1.476) 1.805 8.415 ( 2.900 1.169 1.200) 3.349 8.460 ( -2.649 1.325 5.466) 6.217 8.521 ( 1.984 -0.036 -3.874) 4.353 8.723 ( -2.364 3.303 -1.096) 4.207 8.744 ( 0.408 0.015 2.720) 2.750 8.840 ( -0.129 3.348 -1.115) 3.531 12.063 ( 0.374 6.086 0.212) 6.102 12.078 ( -0.078 6.708 -0.163) 6.710 13.121 ( 2.600 -8.279 4.769) 9.902 13.335 ( 1.800 -3.642 1.296) 4.264 13.813 ( 1.727 -4.235 -1.000) 4.681 13.828 ( -0.137 -0.711 0.489) 0.873 13.901 ( -0.482 0.749 0.012) 0.891 13.970 ( -1.428 2.836 1.217) 3.401 14.252 ( 2.552 15.746 -6.106) 17.080 14.327 ( -12.844 -6.412 -16.493) 21.865 14.681 ( -9.506 11.709 8.330) 17.229 14.846 ( 22.157 -7.194 5.358) 23.904 15.998 ( -0.093 -1.801 -0.037) 1.803 16.024 ( 0.304 -2.771 1.403) 3.121 16.045 ( -0.666 0.437 1.304) 1.528 16.090 ( -0.262 1.145 2.281) 2.566 16.160 ( 1.085 1.059 -1.077) 1.860 16.187 ( 0.740 1.098 -0.310) 1.360 16.350 ( -4.421 -0.238 -3.530) 5.662 16.420 ( -3.019 -0.011 -1.037) 3.192 17.761 ( 0.323 -5.145 0.797) 5.216 17.845 ( -4.647 3.183 -0.807) 5.690 17.849 ( 4.213 -0.533 1.033) 4.370 17.894 ( 0.079 -0.520 -0.180) 0.556 18.348 ( 7.294 -6.131 -0.734) 9.557 18.413 ( -9.126 1.198 -2.648) 9.577 18.462 ( 0.025 -10.267 3.501) 10.847 18.537 ( 3.927 1.908 2.838) 5.208 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -17.122 6.616 -2.003) 18.465 1.385 ( -23.591 19.296 8.758) 31.711 1.628 ( -25.815 11.013 -4.131) 28.369 1.789 ( 0.231 2.290 1.232) 2.610 1.892 ( -1.001 2.209 6.612) 7.043 1.969 ( 2.190 1.846 8.621) 9.084 2.136 ( 7.570 8.968 8.293) 14.370 2.187 ( 3.579 3.645 0.384) 5.123 2.261 ( 0.005 -1.260 -6.076) 6.205 2.331 ( 2.072 1.145 -8.814) 9.126 2.510 ( -2.284 6.208 -1.425) 6.766 2.607 ( -0.371 4.281 -3.839) 5.762 2.647 ( 5.215 0.776 0.169) 5.275 2.774 ( 2.834 6.241 2.242) 7.212 2.808 ( 4.118 -6.142 -3.122) 8.027 2.925 ( 7.425 1.896 -3.071) 8.256 3.014 ( 1.274 7.764 -2.734) 8.329 3.043 ( -3.584 -4.914 -0.813) 6.136 3.242 ( 2.854 -10.354 0.531) 10.753 3.317 ( -3.291 -3.667 2.398) 5.480 3.417 ( 1.537 5.930 -1.163) 6.236 3.451 ( -1.993 -1.795 -2.324) 3.549 3.692 ( -0.452 6.561 -0.270) 6.582 3.792 ( 1.332 -1.984 -0.375) 2.419 3.866 ( 3.509 1.976 -2.162) 4.571 3.873 ( 3.089 -2.055 0.912) 3.820 3.956 ( 0.720 2.114 0.795) 2.371 4.046 ( 4.361 -2.872 0.678) 5.265 4.159 ( 3.988 2.454 0.388) 4.699 4.196 ( 1.091 -0.735 -4.518) 4.705 4.299 ( -0.955 3.667 1.763) 4.180 4.305 ( -1.465 -1.754 2.567) 3.437 4.391 ( 0.011 -0.261 2.152) 2.168 4.466 ( 1.907 3.208 1.302) 3.953 4.513 ( -2.058 -1.033 3.685) 4.346 4.579 ( -2.940 -1.895 1.075) 3.659 4.628 ( 1.685 2.604 0.490) 3.140 4.720 ( 0.805 2.518 3.306) 4.233 4.793 ( 1.968 -3.127 -0.007) 3.695 4.860 ( -1.323 -0.664 -0.505) 1.564 5.070 ( -0.561 0.876 -0.212) 1.062 5.103 ( -2.245 0.447 0.053) 2.290 5.170 ( 0.362 -3.479 -2.193) 4.128 5.264 ( 6.652 -0.662 3.461) 7.527 5.375 ( -0.864 -1.761 -3.516) 4.026 5.405 ( 4.530 2.699 4.590) 6.991 5.470 ( -2.173 -1.061 0.447) 2.459 5.590 ( -0.367 -0.150 -9.761) 9.769 5.678 ( -0.888 1.431 5.421) 5.676 5.738 ( -3.046 2.091 -6.530) 7.503 5.867 ( -2.452 2.423 -5.963) 6.888 5.897 ( 1.829 -4.206 2.536) 5.240 6.215 ( -5.340 -0.384 2.514) 5.914 6.419 ( -0.747 0.187 0.092) 0.776 6.510 ( -3.498 2.298 1.314) 4.386 6.765 ( 6.071 -7.784 4.004) 10.653 6.878 ( 1.261 -5.674 0.886) 5.879 6.915 ( -1.359 -4.772 -3.525) 6.087 6.976 ( 0.579 -3.546 -1.009) 3.732 7.092 ( 3.355 -1.405 -1.704) 4.017 7.115 ( 0.200 -2.785 -5.172) 5.877 7.172 ( -0.049 -1.636 2.636) 3.103 7.231 ( -0.857 2.296 -4.424) 5.057 7.385 ( -2.539 0.659 5.959) 6.510 7.487 ( -4.581 -0.567 2.078) 5.062 7.560 ( 3.126 1.545 -7.295) 8.085 7.725 ( 1.022 0.279 1.347) 1.713 7.751 ( -6.127 -3.604 4.777) 8.565 7.843 ( 2.748 -1.741 -2.978) 4.411 7.940 ( -2.180 4.275 1.222) 4.952 8.014 ( 0.423 -0.179 -1.010) 1.110 8.055 ( 1.121 3.699 -0.089) 3.867 8.228 ( -0.569 -0.270 1.481) 1.610 8.309 ( 1.230 0.029 0.336) 1.275 8.398 ( -2.841 3.448 0.145) 4.470 8.444 ( -0.535 1.465 -0.725) 1.719 8.581 ( 1.565 -0.356 2.368) 2.861 8.672 ( -1.061 4.986 -1.177) 5.232 8.797 ( 1.341 -0.176 0.610) 1.484 8.843 ( 2.639 1.281 -0.161) 2.938 12.064 ( -0.204 5.566 -0.184) 5.572 12.106 ( 3.511 9.518 0.180) 10.146 13.215 ( 0.762 -11.273 5.897) 12.745 13.350 ( -1.280 -7.080 -1.427) 7.335 13.732 ( -6.802 -1.819 -3.737) 7.972 13.882 ( -0.355 -1.187 -0.834) 1.493 13.909 ( 1.186 2.567 4.638) 5.432 13.938 ( 1.342 0.386 0.976) 1.704 14.096 ( -1.048 0.266 -3.563) 3.724 14.201 ( -0.524 12.946 -7.837) 15.143 14.475 ( -14.243 13.949 0.044) 19.936 15.323 ( 21.473 -13.352 0.795) 25.298 15.995 ( -0.561 0.516 0.199) 0.788 16.027 ( -1.326 0.288 -0.017) 1.357 16.040 ( -1.430 0.703 0.681) 1.733 16.074 ( -0.607 0.679 -2.049) 2.242 16.172 ( -1.659 -1.728 2.050) 3.153 16.250 ( 1.078 -0.767 4.225) 4.427 16.264 ( 2.782 0.878 3.521) 4.573 16.328 ( -2.870 0.700 -2.122) 3.637 17.641 ( -12.444 7.187 -1.759) 14.478 17.780 ( -0.824 -2.717 1.582) 3.250 17.895 ( -1.181 0.109 -4.136) 4.303 17.950 ( 4.490 -1.683 0.921) 4.883 18.263 ( -2.974 -1.486 -1.054) 3.487 18.503 ( 4.945 -6.864 4.315) 9.496 18.559 ( 6.690 -8.169 1.084) 10.615 18.573 ( 0.247 -1.192 -2.205) 2.518 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -11.411 12.506 3.991) 17.394 0.740 ( -29.947 13.378 -9.698) 34.203 1.327 ( -19.768 30.743 24.829) 44.186 1.755 ( -5.438 5.293 3.470) 8.345 1.972 ( -0.592 -1.668 -1.543) 2.349 2.005 ( 1.872 3.454 5.518) 6.774 2.150 ( -4.443 4.224 -2.595) 6.657 2.180 ( -1.231 3.591 -2.991) 4.833 2.268 ( 5.060 2.371 -2.688) 6.201 2.434 ( 0.713 9.167 -1.136) 9.265 2.494 ( 5.679 3.347 4.083) 7.754 2.615 ( 2.201 3.343 -1.440) 4.253 2.661 ( -2.176 2.858 -1.380) 3.848 2.760 ( -2.039 3.192 -4.233) 5.681 2.852 ( 2.502 4.246 -6.574) 8.217 2.937 ( -1.871 5.509 1.295) 5.961 3.027 ( 2.855 -1.574 -3.874) 5.063 3.157 ( 5.994 -2.881 1.926) 6.924 3.271 ( 1.183 -7.949 0.792) 8.076 3.329 ( 1.320 0.338 3.409) 3.671 3.366 ( -0.579 0.519 -4.034) 4.108 3.474 ( 2.942 -2.665 1.897) 4.400 3.675 ( -0.059 4.532 -0.744) 4.593 3.808 ( 3.771 -1.821 -2.989) 5.145 3.864 ( -2.458 -1.508 -0.481) 2.923 3.908 ( -0.388 -1.660 -1.410) 2.212 4.012 ( 2.127 -1.732 0.444) 2.778 4.053 ( -0.820 1.226 -8.498) 8.625 4.142 ( 1.619 -2.186 -0.730) 2.817 4.214 ( 1.374 2.561 -0.750) 3.002 4.322 ( -1.002 0.889 3.242) 3.508 4.358 ( 5.154 3.980 -1.122) 6.608 4.409 ( 0.347 -2.142 -0.411) 2.209 4.498 ( 1.284 3.784 0.269) 4.005 4.530 ( 1.347 -0.363 1.619) 2.137 4.623 ( 3.551 0.486 0.961) 3.710 4.642 ( -1.666 -2.836 0.103) 3.291 4.733 ( -0.883 2.441 5.287) 5.890 4.795 ( 0.253 0.513 -2.356) 2.425 4.967 ( 4.817 -3.940 8.167) 10.268 5.037 ( -2.181 -6.370 -10.098) 12.136 5.105 ( 0.734 -0.164 -0.787) 1.088 5.148 ( 4.159 -0.476 4.546) 6.180 5.302 ( -4.264 1.587 -4.802) 6.616 5.352 ( -2.932 -0.159 -0.061) 2.937 5.381 ( -0.767 0.639 1.558) 1.851 5.455 ( 4.143 -2.505 0.524) 4.870 5.596 ( -0.242 2.201 0.792) 2.351 5.643 ( -0.908 3.270 -1.876) 3.878 5.741 ( 1.977 1.020 1.318) 2.586 5.916 ( 7.141 -3.447 15.113) 17.067 5.947 ( -1.330 -5.724 3.119) 6.653 6.177 ( -0.260 3.440 2.477) 4.247 6.357 ( -6.181 3.027 1.014) 6.957 6.461 ( 1.352 5.043 -3.180) 6.113 6.699 ( -3.553 -2.575 -7.986) 9.112 6.916 ( 1.817 -8.732 0.151) 8.921 6.973 ( -0.486 -3.475 -0.272) 3.520 7.004 ( 2.925 -2.465 0.796) 3.908 7.078 ( 2.174 -1.484 -0.287) 2.648 7.132 ( 2.266 -3.346 -4.071) 5.736 7.198 ( 1.606 -2.614 -0.275) 3.080 7.213 ( 0.360 0.469 2.593) 2.660 7.355 ( -4.654 -1.259 1.791) 5.143 7.449 ( -4.531 5.301 5.125) 8.654 7.492 ( -2.958 -6.580 -5.193) 8.889 7.638 ( -5.466 -3.994 0.578) 6.794 7.793 ( 1.529 1.708 1.077) 2.533 7.830 ( 1.102 2.427 -6.029) 6.592 7.918 ( 1.434 -4.308 -2.657) 5.261 7.996 ( -1.203 2.096 0.443) 2.457 8.092 ( -1.253 4.182 3.133) 5.374 8.247 ( -1.736 0.963 1.074) 2.257 8.268 ( -3.214 3.355 2.628) 5.338 8.378 ( -1.831 4.467 -2.845) 5.603 8.470 ( 6.603 0.608 0.380) 6.642 8.618 ( -0.545 0.462 1.059) 1.278 8.683 ( 0.133 -0.718 7.034) 7.072 8.795 ( -0.136 1.201 0.105) 1.213 8.910 ( 2.993 -1.722 -0.742) 3.532 12.061 ( 0.115 6.093 0.032) 6.094 12.235 ( 12.711 14.394 -2.830) 19.410 13.165 ( -13.520 -10.066 -11.116) 20.191 13.229 ( -2.879 -12.150 0.573) 12.500 13.620 ( -1.922 2.950 0.663) 3.583 13.881 ( 0.074 -0.143 1.429) 1.439 13.914 ( -1.070 2.990 1.361) 3.455 14.049 ( -1.009 1.407 3.082) 3.535 14.098 ( -2.011 6.193 -5.879) 8.773 14.147 ( 2.882 8.377 8.414) 12.218 14.239 ( -4.139 9.924 -3.356) 11.264 15.585 ( 10.351 -16.834 -6.682) 20.861 15.971 ( -0.909 1.283 -1.204) 1.981 15.990 ( -0.330 2.736 -1.983) 3.395 16.027 ( -0.124 0.357 0.882) 0.960 16.063 ( -0.254 -0.064 0.649) 0.700 16.167 ( -0.414 -0.527 0.709) 0.976 16.249 ( -1.947 0.162 -0.388) 1.992 16.359 ( 3.438 -0.022 4.013) 5.285 16.453 ( 4.420 -0.667 4.826) 6.578 17.409 ( -9.147 12.148 3.833) 15.682 17.763 ( -1.710 -1.829 -0.277) 2.519 17.817 ( -1.515 0.979 -3.403) 3.851 18.027 ( 2.621 -1.978 1.380) 3.561 18.247 ( 0.422 -5.238 -1.372) 5.432 18.481 ( -3.301 -1.723 -2.311) 4.382 18.561 ( -0.255 -7.382 -0.520) 7.405 18.724 ( 6.357 -8.338 0.880) 10.522 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 9.501 24.984 0.190) 26.730 1.156 ( 19.332 25.063 7.044) 32.427 1.687 ( -1.090 -2.790 -14.433) 14.741 1.858 ( -9.819 24.066 18.760) 32.055 2.017 ( 3.330 5.732 -1.867) 6.887 2.070 ( -0.537 3.540 -0.287) 3.592 2.210 ( -0.454 0.799 -2.439) 2.606 2.243 ( -5.103 10.692 -1.417) 11.932 2.404 ( -0.557 5.823 1.777) 6.113 2.518 ( -1.388 0.759 6.604) 6.791 2.591 ( -2.232 6.797 -7.732) 10.534 2.699 ( 5.105 6.398 -3.848) 9.044 2.835 ( 0.012 5.949 -1.402) 6.112 2.869 ( -0.003 7.176 -2.429) 7.576 2.921 ( -0.927 5.819 0.021) 5.892 2.934 ( -2.816 3.911 -2.043) 5.235 3.072 ( -2.537 -0.353 0.845) 2.697 3.152 ( 2.299 -6.461 3.875) 7.877 3.201 ( -0.332 -5.499 6.928) 8.851 3.323 ( 0.877 5.071 1.034) 5.249 3.374 ( 0.529 1.095 -4.583) 4.742 3.516 ( -0.225 -0.277 0.358) 0.505 3.692 ( -4.233 -0.697 0.110) 4.291 3.752 ( 3.748 -0.823 4.636) 6.018 3.785 ( -1.733 -1.851 -2.983) 3.915 3.905 ( -0.373 -0.778 -1.826) 2.020 3.925 ( 3.967 1.847 1.461) 4.613 4.060 ( -3.092 -3.818 -2.630) 5.573 4.136 ( 2.238 -1.227 1.562) 2.992 4.226 ( 2.714 -0.231 -1.911) 3.327 4.267 ( -2.794 -3.428 -5.245) 6.861 4.334 ( 0.790 -1.988 -1.240) 2.473 4.466 ( -3.107 -3.885 -0.709) 5.024 4.520 ( -0.336 1.545 0.529) 1.668 4.532 ( -3.978 2.092 -4.450) 6.325 4.574 ( -2.044 1.098 -2.325) 3.284 4.618 ( 2.259 2.984 -1.747) 4.131 4.716 ( -1.347 1.047 -0.552) 1.793 4.828 ( -3.006 2.855 4.923) 6.436 4.959 ( 4.210 0.469 0.788) 4.308 5.007 ( 1.058 -1.987 -0.193) 2.260 5.146 ( 0.891 -0.894 0.401) 1.325 5.180 ( 0.152 -4.694 2.859) 5.499 5.240 ( 2.087 -0.536 -1.636) 2.705 5.295 ( 0.112 -0.469 -1.597) 1.668 5.377 ( -1.726 -2.505 -1.552) 3.415 5.465 ( 3.390 -5.529 7.896) 10.218 5.530 ( -3.773 -2.154 0.148) 4.347 5.709 ( 1.153 0.832 -4.197) 4.432 5.854 ( -3.046 -3.163 -0.289) 4.401 5.869 ( 4.019 -1.941 7.979) 9.142 5.984 ( 1.706 -6.952 7.432) 10.318 6.292 ( -3.756 5.650 3.622) 7.690 6.359 ( 1.412 -0.676 0.234) 1.583 6.492 ( 5.671 -4.280 -5.735) 9.131 6.618 ( 1.505 2.082 -6.241) 6.749 6.724 ( -3.758 -8.372 2.554) 9.525 6.861 ( 1.184 -3.042 -1.044) 3.427 6.979 ( -2.169 -3.581 0.713) 4.247 7.030 ( 2.994 -3.457 -3.359) 5.674 7.149 ( 2.014 -0.598 0.421) 2.143 7.185 ( 0.259 -1.131 0.700) 1.355 7.236 ( 0.009 -2.124 0.089) 2.126 7.257 ( 1.183 0.121 1.185) 1.678 7.369 ( -1.976 -2.551 2.140) 3.872 7.467 ( -1.235 4.974 0.985) 5.219 7.582 ( -2.780 1.773 0.792) 3.391 7.754 ( 4.887 -5.597 -6.333) 9.763 7.859 ( -1.907 2.546 -0.023) 3.181 7.908 ( 2.101 2.904 -1.324) 3.821 8.060 ( -1.364 4.228 1.061) 4.568 8.186 ( -0.739 5.100 -0.116) 5.154 8.281 ( -0.689 2.556 3.418) 4.324 8.329 ( -3.337 2.951 3.595) 5.725 8.374 ( 1.560 0.378 -2.242) 2.757 8.566 ( -5.719 0.608 -1.208) 5.877 8.668 ( 0.767 2.166 3.586) 4.259 8.707 ( 3.211 1.882 3.447) 5.073 8.820 ( -0.751 0.365 -2.002) 2.169 8.880 ( 1.699 -1.641 -0.957) 2.549 12.215 ( -0.151 7.451 1.489) 7.600 12.543 ( 1.828 5.634 -10.032) 11.650 12.859 ( 1.423 -2.160 1.041) 2.789 12.949 ( -1.923 -10.143 -1.143) 10.386 13.708 ( 1.741 3.565 1.339) 4.188 13.899 ( -4.302 1.730 -1.364) 4.833 13.970 ( 0.453 3.156 3.192) 4.512 14.015 ( -5.047 2.073 0.400) 5.471 14.091 ( -3.453 1.897 1.026) 4.071 14.399 ( 4.073 16.103 -4.778) 17.283 14.651 ( 11.093 13.597 9.923) 20.160 15.207 ( -3.669 -20.712 -4.594) 21.530 15.979 ( 1.100 0.538 0.345) 1.272 16.015 ( -0.147 1.050 2.329) 2.559 16.065 ( 0.990 0.126 1.079) 1.470 16.076 ( 0.586 -0.176 2.094) 2.182 16.180 ( -1.292 1.759 -0.414) 2.221 16.206 ( -1.895 0.568 -1.651) 2.577 16.344 ( -3.343 1.111 -3.176) 4.744 16.393 ( -5.920 0.610 -6.124) 8.540 17.657 ( 0.877 8.490 3.057) 9.066 17.705 ( -0.662 -1.702 0.192) 1.836 17.895 ( 7.402 3.987 3.413) 9.074 18.004 ( -0.560 -3.395 1.666) 3.823 18.124 ( 1.471 -6.369 -1.298) 6.664 18.294 ( -4.986 -11.661 -4.597) 13.489 18.496 ( 5.256 -4.331 1.194) 6.914 18.538 ( -1.482 -11.834 -0.149) 11.927 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 15.822 24.434 -3.408) 29.308 1.502 ( 2.566 -3.397 -12.141) 12.866 1.715 ( 12.559 14.991 15.039) 24.670 1.832 ( -5.557 7.128 -8.494) 12.403 1.928 ( -8.354 2.555 -11.108) 14.131 2.016 ( -0.521 16.124 12.928) 20.673 2.114 ( -4.175 5.483 -3.215) 7.605 2.202 ( 3.334 3.456 0.272) 4.810 2.453 ( 2.416 5.195 4.886) 7.530 2.562 ( 4.365 6.326 -3.289) 8.360 2.608 ( 0.086 5.573 10.911) 12.252 2.682 ( -7.765 0.713 -7.559) 10.860 2.718 ( -4.398 2.527 -1.517) 5.294 2.801 ( 0.795 6.825 -0.629) 6.899 2.889 ( -2.434 4.166 -2.009) 5.227 2.933 ( -1.356 5.038 4.917) 7.169 3.027 ( -4.092 -6.387 2.264) 7.916 3.195 ( -3.402 -3.750 2.542) 5.666 3.231 ( -0.630 -1.497 3.585) 3.936 3.334 ( 0.720 0.757 -4.022) 4.155 3.382 ( 4.588 7.311 0.419) 8.642 3.515 ( -1.049 -0.097 -1.066) 1.499 3.633 ( -0.464 3.280 -0.114) 3.314 3.771 ( 1.235 -1.815 -0.417) 2.234 3.892 ( 3.073 2.240 2.791) 4.717 3.902 ( 2.714 -3.629 -2.402) 5.129 3.954 ( -1.564 -0.714 -4.311) 4.641 4.024 ( 3.310 2.174 3.288) 5.147 4.120 ( -4.441 2.428 -5.853) 7.738 4.155 ( -4.705 -4.181 -0.885) 6.356 4.267 ( 1.892 -0.596 3.038) 3.628 4.332 ( 0.830 -1.524 -2.805) 3.298 4.387 ( -1.646 1.474 0.022) 2.210 4.460 ( -3.710 3.600 -0.480) 5.192 4.476 ( 2.773 -1.160 -0.009) 3.006 4.570 ( 2.088 -0.189 -2.200) 3.039 4.646 ( -0.097 2.744 0.307) 2.763 4.709 ( 0.832 1.428 0.767) 1.822 4.815 ( -1.808 0.560 0.894) 2.093 4.995 ( 0.596 2.234 -1.188) 2.599 5.044 ( -1.296 -2.204 5.236) 5.827 5.094 ( 0.009 0.591 -1.108) 1.255 5.210 ( -2.674 -2.904 -4.424) 5.929 5.257 ( -2.588 0.597 1.083) 2.868 5.325 ( 2.252 -4.681 3.628) 6.336 5.360 ( 0.740 -7.089 -1.009) 7.198 5.453 ( -0.176 -0.399 -0.062) 0.440 5.590 ( 1.203 -3.439 4.162) 5.531 5.697 ( 0.435 -3.803 -0.902) 3.933 5.746 ( -4.023 -1.649 -4.410) 6.193 5.989 ( -0.579 -4.843 6.582) 8.192 6.047 ( -1.575 -6.405 4.030) 7.730 6.258 ( -1.981 4.820 6.075) 8.004 6.368 ( -0.210 0.472 -2.074) 2.138 6.492 ( 0.739 -6.514 -5.781) 8.740 6.591 ( 0.747 3.912 -4.775) 6.218 6.707 ( -1.273 -7.601 1.951) 7.950 6.897 ( 2.070 -2.997 1.257) 3.853 6.937 ( -2.686 -3.113 0.025) 4.112 7.068 ( 3.146 -2.903 -2.254) 4.837 7.123 ( -1.979 -0.896 -7.277) 7.595 7.203 ( 1.638 -0.808 -1.676) 2.479 7.260 ( 2.311 0.516 1.626) 2.872 7.316 ( 1.164 0.301 3.959) 4.138 7.354 ( 1.422 -3.994 4.958) 6.524 7.520 ( -2.991 2.711 -1.485) 4.301 7.565 ( 8.132 1.499 -0.125) 8.270 7.804 ( -0.417 2.885 0.852) 3.037 7.822 ( 3.184 -6.053 -3.694) 7.773 7.908 ( 0.448 3.228 -3.472) 4.762 8.021 ( -3.274 5.179 -0.289) 6.134 8.209 ( 2.377 4.348 2.351) 5.485 8.279 ( -2.572 2.409 4.199) 5.482 8.331 ( -0.368 2.154 3.077) 3.775 8.406 ( 2.215 0.837 -0.274) 2.384 8.444 ( -5.723 -1.083 -0.477) 5.844 8.668 ( -3.301 -1.583 2.174) 4.258 8.752 ( -1.101 0.125 -1.603) 1.949 8.814 ( 2.026 3.597 0.392) 4.147 8.914 ( 2.418 2.561 -0.396) 3.544 12.219 ( -1.213 7.090 1.723) 7.396 12.384 ( -6.047 10.272 -5.445) 13.105 12.907 ( -0.596 -8.480 -1.715) 8.672 13.017 ( 10.826 -6.306 -1.455) 12.613 13.738 ( -1.348 1.575 0.734) 2.200 13.851 ( 1.314 0.860 1.401) 2.104 13.937 ( -2.912 -0.556 0.594) 3.023 13.971 ( -3.345 3.160 3.102) 5.549 14.078 ( 2.453 1.935 1.048) 3.295 14.521 ( 10.152 20.465 -2.414) 22.972 14.932 ( 6.679 14.582 9.807) 18.800 14.978 ( -12.135 -18.398 -11.600) 24.906 15.981 ( -1.689 -0.003 -0.195) 1.700 16.043 ( -0.561 0.506 2.393) 2.509 16.085 ( -1.295 0.599 0.209) 1.442 16.090 ( -4.339 0.346 -1.724) 4.681 16.150 ( 4.445 1.122 4.721) 6.581 16.187 ( 0.778 1.754 0.145) 1.924 16.264 ( -0.197 0.870 -1.943) 2.138 16.313 ( 2.872 1.043 -0.292) 3.070 17.678 ( -1.395 -2.258 0.143) 2.658 17.724 ( 2.914 3.304 1.396) 4.621 17.938 ( -5.913 -4.828 -1.810) 7.845 18.058 ( -1.338 -1.528 2.616) 3.312 18.125 ( -3.628 -13.042 -6.784) 15.142 18.212 ( 9.786 2.207 3.254) 10.547 18.409 ( -7.441 -13.878 -1.875) 15.858 18.642 ( 4.164 -2.089 0.503) 4.685 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 8.304 -4.133 -13.756) 16.591 1.489 ( 10.380 21.803 -5.764) 24.826 1.561 ( 1.258 2.284 -15.018) 15.243 1.802 ( 2.607 -0.132 -8.258) 8.661 1.931 ( -4.880 13.611 11.663) 18.577 1.971 ( -6.326 8.109 7.883) 12.958 2.202 ( -0.164 9.189 3.021) 9.674 2.279 ( 3.936 -2.134 4.848) 6.598 2.426 ( -3.498 2.301 -1.313) 4.388 2.471 ( -9.118 3.712 2.508) 10.159 2.608 ( -3.291 -3.551 -6.608) 8.191 2.664 ( 5.058 6.279 -2.905) 8.570 2.775 ( -1.288 4.699 3.704) 6.121 2.794 ( -2.189 1.834 6.037) 6.678 2.883 ( 2.010 1.150 4.379) 4.953 2.960 ( 4.690 4.656 5.938) 8.884 3.003 ( -1.108 0.526 0.899) 1.521 3.146 ( -2.731 -1.572 2.172) 3.828 3.230 ( -0.828 3.009 -2.244) 3.844 3.306 ( -1.352 -0.080 -1.224) 1.825 3.413 ( -5.743 -3.311 -4.143) 7.817 3.464 ( 2.258 10.753 1.547) 11.096 3.707 ( 4.551 -0.535 3.625) 5.843 3.769 ( 0.192 0.147 1.231) 1.255 3.829 ( -4.474 -2.827 -5.534) 7.657 3.915 ( -1.390 0.839 -0.391) 1.670 3.956 ( -1.066 10.451 -5.655) 11.931 4.031 ( 3.681 0.899 -0.490) 3.821 4.055 ( -0.590 -0.739 -1.274) 1.587 4.099 ( 2.225 2.926 0.798) 3.762 4.339 ( -0.225 0.476 -3.253) 3.296 4.360 ( 2.741 -0.425 4.701) 5.458 4.377 ( -1.111 1.678 3.525) 4.059 4.469 ( 1.620 -1.169 -0.158) 2.004 4.545 ( 3.614 1.921 -0.028) 4.093 4.583 ( 2.374 -1.067 -0.729) 2.703 4.616 ( -1.283 2.884 0.755) 3.246 4.752 ( -0.118 1.621 3.089) 3.490 4.783 ( -0.107 -2.225 -1.214) 2.537 4.955 ( -5.971 -1.209 -2.062) 6.431 5.049 ( 1.174 4.586 0.077) 4.734 5.098 ( -2.129 -2.073 3.395) 4.512 5.132 ( -1.128 -1.162 0.175) 1.629 5.212 ( -4.999 -2.351 -1.069) 5.626 5.295 ( 2.876 3.586 1.723) 4.909 5.411 ( 1.485 -5.688 0.426) 5.894 5.519 ( -2.891 -0.850 -2.890) 4.176 5.570 ( 1.152 -5.412 3.490) 6.542 5.640 ( -1.076 -4.484 -2.583) 5.285 5.722 ( 0.338 -4.891 -2.241) 5.390 5.985 ( -3.019 -2.452 0.466) 3.917 6.041 ( 0.026 -7.216 2.478) 7.630 6.306 ( -0.769 0.112 0.684) 1.035 6.361 ( 1.828 1.739 2.134) 3.304 6.470 ( 0.185 -3.103 -2.279) 3.855 6.521 ( -1.237 7.071 -4.314) 8.375 6.708 ( -0.243 -6.269 1.896) 6.554 6.879 ( -2.472 -2.663 -1.536) 3.945 6.937 ( -1.420 -4.975 3.722) 6.374 7.039 ( -0.248 -1.999 -3.074) 3.675 7.089 ( 1.114 -1.442 -1.707) 2.497 7.187 ( -0.422 -3.175 -2.193) 3.882 7.276 ( -0.778 -4.558 -2.727) 5.369 7.358 ( 3.197 0.908 -0.434) 3.352 7.471 ( -1.568 2.568 2.059) 3.646 7.519 ( 7.228 1.135 2.592) 7.762 7.671 ( 3.951 -4.582 -3.894) 7.195 7.788 ( 3.313 2.839 -0.472) 4.388 7.863 ( -0.216 2.885 -3.457) 4.508 7.923 ( 3.837 -1.114 2.520) 4.723 7.947 ( -4.728 3.470 1.344) 6.017 8.226 ( -2.073 1.036 1.009) 2.528 8.287 ( -3.400 -1.087 1.179) 3.760 8.362 ( -0.732 -0.735 1.467) 1.797 8.372 ( 1.114 3.554 1.856) 4.162 8.451 ( 1.005 2.677 3.258) 4.335 8.596 ( -3.380 -0.299 -1.600) 3.751 8.731 ( -0.682 0.131 0.735) 1.011 8.835 ( 0.388 4.765 -0.660) 4.826 8.942 ( 1.310 5.295 -1.412) 5.635 12.207 ( -1.413 6.839 0.997) 7.054 12.269 ( -2.399 10.221 -2.061) 10.699 12.897 ( 0.346 -8.837 0.549) 8.861 13.165 ( 6.822 -6.898 -2.395) 9.992 13.722 ( 1.066 -1.536 -1.247) 2.248 13.841 ( -3.011 -0.447 1.725) 3.498 13.938 ( -1.726 1.318 1.163) 2.464 13.986 ( 0.890 1.188 4.772) 4.998 14.244 ( 11.892 -2.049 8.030) 14.495 14.563 ( -15.314 -13.704 -15.327) 25.637 14.653 ( 6.126 22.869 -4.627) 24.124 15.070 ( -0.042 17.963 5.039) 18.656 15.952 ( -0.312 -1.353 -0.349) 1.432 16.006 ( -1.563 0.283 -1.811) 2.409 16.052 ( -0.936 0.138 2.089) 2.293 16.078 ( -1.029 0.632 3.201) 3.421 16.189 ( 0.006 0.487 -1.412) 1.494 16.211 ( 0.116 0.671 -0.503) 0.847 16.372 ( 4.468 0.576 4.138) 6.117 16.403 ( 3.436 0.454 2.250) 4.132 17.607 ( -5.248 -10.581 -0.563) 11.824 17.805 ( 4.494 1.490 0.300) 4.744 17.819 ( -0.813 -0.910 -2.757) 3.015 17.995 ( -4.202 -3.195 -1.183) 5.410 18.049 ( -0.057 -15.288 -1.176) 15.333 18.273 ( -4.970 -10.945 0.207) 12.022 18.445 ( 8.723 4.257 3.777) 10.415 18.632 ( -3.562 1.237 -3.306) 5.015 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.759 16.300 -14.625) 22.411 1.604 ( 12.859 -5.543 -12.300) 18.638 1.668 ( 17.435 0.765 3.957) 17.895 1.856 ( 4.878 9.547 -1.710) 10.856 1.944 ( -2.231 2.681 8.668) 9.343 2.042 ( 0.480 12.417 9.461) 15.617 2.139 ( -6.294 2.634 7.807) 10.368 2.285 ( -7.459 2.965 3.543) 8.774 2.379 ( 1.354 -2.731 -6.123) 6.840 2.457 ( 0.102 -2.914 -5.120) 5.892 2.515 ( 0.990 5.068 8.328) 9.799 2.581 ( -6.342 6.636 -10.888) 14.241 2.759 ( -1.753 3.959 0.261) 4.338 2.841 ( 2.448 3.362 0.628) 4.206 2.887 ( -2.593 5.614 2.078) 6.523 2.960 ( -1.992 0.666 1.811) 2.773 3.014 ( -8.341 -2.482 -1.397) 8.814 3.153 ( 1.503 5.360 -0.509) 5.590 3.174 ( -3.292 1.399 -0.851) 3.677 3.265 ( -0.845 -2.893 -2.502) 3.917 3.365 ( 3.677 -1.805 5.160) 6.588 3.530 ( 3.436 10.638 0.158) 11.180 3.731 ( -2.119 -5.535 -0.960) 6.004 3.786 ( 1.992 -2.131 2.602) 3.909 3.829 ( 0.128 5.456 -1.076) 5.562 3.861 ( 1.959 5.421 -2.381) 6.237 3.975 ( 4.316 -1.400 4.895) 6.675 4.000 ( -3.553 0.710 -4.262) 5.594 4.099 ( 3.022 5.146 0.033) 5.968 4.169 ( 2.266 4.539 1.581) 5.314 4.295 ( 0.698 1.162 -0.216) 1.373 4.384 ( -2.817 -0.278 0.332) 2.850 4.416 ( -0.423 -0.597 1.088) 1.311 4.500 ( 3.132 -2.441 -0.100) 3.972 4.523 ( -3.345 -0.165 -0.541) 3.393 4.591 ( -1.397 5.853 1.467) 6.194 4.672 ( -0.361 0.367 -0.447) 0.682 4.747 ( 0.929 3.740 3.540) 5.233 4.787 ( -1.985 -0.291 -8.293) 8.533 4.808 ( 0.425 -3.556 -0.520) 3.619 5.081 ( 0.011 -0.076 1.585) 1.587 5.114 ( -0.204 -2.020 1.793) 2.709 5.144 ( -1.942 1.998 5.088) 5.801 5.198 ( 4.990 -2.218 3.634) 6.559 5.314 ( -4.938 3.028 -2.997) 6.522 5.407 ( 3.001 4.275 2.059) 5.615 5.456 ( -1.196 -8.106 -2.946) 8.707 5.612 ( 0.216 -3.561 2.073) 4.127 5.647 ( 2.038 -7.761 1.005) 8.086 5.674 ( -0.650 -0.804 -6.156) 6.242 5.931 ( -2.989 -0.779 0.280) 3.102 6.058 ( -1.603 -2.287 -2.598) 3.815 6.284 ( -3.577 3.167 -0.901) 4.862 6.358 ( 2.885 -3.981 2.323) 5.437 6.477 ( 1.049 -3.636 -4.271) 5.706 6.527 ( 2.528 2.794 3.593) 5.206 6.750 ( 1.173 -3.853 2.687) 4.842 6.842 ( 0.076 -3.514 0.130) 3.517 6.898 ( -4.384 -7.192 0.148) 8.424 7.046 ( 2.148 -1.582 -1.354) 2.992 7.066 ( 0.102 -2.601 -5.143) 5.764 7.144 ( 0.096 -2.606 -2.165) 3.390 7.274 ( 3.004 -2.678 -2.007) 4.497 7.379 ( 0.684 0.261 -2.666) 2.765 7.481 ( -1.270 1.850 3.753) 4.373 7.632 ( 2.486 2.388 -0.136) 3.450 7.674 ( -0.243 -5.844 -0.305) 5.857 7.785 ( -1.693 0.902 -2.917) 3.491 7.864 ( -3.089 2.787 1.872) 4.562 7.941 ( 5.389 3.908 3.878) 7.705 8.004 ( 1.505 0.566 1.447) 2.164 8.160 ( -2.444 -0.753 -3.948) 4.704 8.242 ( -2.943 -0.665 1.116) 3.217 8.296 ( -2.319 -1.225 -1.787) 3.173 8.455 ( 2.076 2.109 2.091) 3.623 8.498 ( -1.939 2.446 6.017) 6.778 8.552 ( 0.369 2.553 -0.333) 2.601 8.735 ( 0.657 -0.026 0.393) 0.766 8.826 ( -0.233 6.043 -1.102) 6.147 8.935 ( 0.153 5.900 -2.560) 6.434 12.195 ( -0.585 6.714 0.475) 6.756 12.245 ( 1.218 9.616 -0.858) 9.731 12.930 ( 0.868 -10.305 3.505) 10.919 13.221 ( 2.030 -7.807 -2.893) 8.570 13.751 ( 1.697 -2.088 0.122) 2.694 13.825 ( 0.166 -0.477 1.759) 1.830 13.919 ( -1.234 0.969 0.065) 1.571 14.010 ( -4.995 1.760 5.700) 7.781 14.176 ( -8.245 -7.340 -10.381) 15.153 14.610 ( 11.744 4.780 3.556) 13.169 14.683 ( 6.632 9.772 -0.502) 11.820 15.032 ( -6.159 19.769 -1.298) 20.747 15.966 ( 1.071 -1.343 1.138) 2.061 15.995 ( 0.976 -0.270 0.538) 1.146 16.056 ( -1.358 0.281 2.883) 3.199 16.107 ( 0.175 0.547 4.252) 4.290 16.165 ( -0.119 -0.320 -2.747) 2.768 16.199 ( -0.329 0.176 -1.340) 1.391 16.341 ( -5.136 -0.803 -4.584) 6.930 16.418 ( -2.879 -0.365 -1.877) 3.457 17.602 ( 2.766 -10.716 4.566) 11.972 17.831 ( 1.785 -1.338 0.897) 2.405 17.879 ( 1.769 -0.933 -0.938) 2.210 17.899 ( -2.494 1.323 -1.955) 3.434 18.129 ( 6.132 -16.655 5.087) 18.463 18.242 ( -0.248 -8.931 3.567) 9.620 18.465 ( -8.377 3.314 -6.183) 10.926 18.581 ( 4.241 2.209 -1.609) 5.045 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -3.369 21.118 -17.217) 27.454 1.639 ( -20.456 11.098 -9.973) 25.320 1.759 ( 12.697 -4.544 -8.694) 16.046 1.944 ( -3.089 1.773 7.097) 7.940 2.002 ( -4.385 14.455 9.536) 17.863 2.057 ( -5.837 11.616 8.704) 15.644 2.179 ( 1.118 -4.547 -6.498) 8.010 2.271 ( 2.422 4.603 -5.784) 7.779 2.310 ( 4.916 2.150 0.501) 5.389 2.390 ( 7.557 5.458 1.896) 9.513 2.582 ( 3.503 -0.284 4.764) 5.920 2.641 ( 5.725 2.315 3.901) 7.304 2.691 ( -4.210 3.450 1.689) 5.699 2.817 ( -0.050 6.661 -2.914) 7.270 2.903 ( -0.993 -2.934 4.037) 5.088 2.938 ( 1.965 8.815 0.353) 9.038 3.022 ( 1.955 -8.465 3.171) 9.249 3.065 ( -0.411 6.876 -5.280) 8.679 3.171 ( -1.934 6.417 0.228) 6.706 3.261 ( 2.464 -2.361 0.465) 3.444 3.436 ( -1.155 -0.633 0.844) 1.564 3.562 ( -1.147 8.251 1.418) 8.450 3.725 ( 0.743 -3.534 1.432) 3.885 3.791 ( 0.788 3.246 -5.197) 6.178 3.844 ( 0.908 -1.385 1.343) 2.132 3.898 ( -0.812 0.005 -3.218) 3.319 3.907 ( 1.089 -2.411 3.199) 4.151 4.066 ( 1.334 2.648 -1.672) 3.404 4.174 ( 1.764 -1.018 3.566) 4.107 4.211 ( -5.880 -2.629 -3.049) 7.127 4.243 ( 2.505 1.138 -0.053) 2.752 4.342 ( -0.526 0.605 2.646) 2.765 4.417 ( 1.309 3.972 -1.116) 4.329 4.457 ( -3.216 -2.041 3.178) 4.960 4.558 ( -0.437 2.119 -0.437) 2.207 4.575 ( 1.867 1.171 2.572) 3.387 4.675 ( 1.012 1.910 0.234) 2.174 4.759 ( 3.802 0.704 -3.400) 5.149 4.782 ( -0.845 3.149 0.017) 3.260 4.828 ( 3.324 -1.737 0.230) 3.757 5.039 ( -5.306 -3.675 -0.659) 6.488 5.085 ( -1.623 0.382 0.871) 1.882 5.182 ( 0.128 0.892 -1.435) 1.695 5.234 ( 1.891 -2.396 0.473) 3.089 5.348 ( 1.364 -0.372 0.930) 1.692 5.449 ( 0.847 -1.585 3.334) 3.788 5.455 ( 0.820 0.692 1.567) 1.899 5.590 ( 1.412 0.418 -7.315) 7.462 5.617 ( -3.804 -5.884 5.732) 9.053 5.710 ( 3.045 -2.907 -1.838) 4.593 5.878 ( -2.878 0.865 0.563) 3.058 5.935 ( -2.537 2.955 -6.752) 7.795 6.225 ( -3.236 1.930 2.727) 4.651 6.408 ( -0.290 -1.626 -0.757) 1.816 6.520 ( 1.814 -3.786 -2.231) 4.754 6.615 ( 5.524 -5.985 4.651) 9.379 6.772 ( -1.420 -4.334 1.449) 4.786 6.823 ( 1.324 -3.472 -2.950) 4.745 6.860 ( -0.046 -5.613 1.216) 5.743 7.043 ( 3.122 -3.231 -5.996) 7.492 7.089 ( 4.696 0.514 -3.306) 5.766 7.156 ( -0.002 -1.211 3.708) 3.901 7.271 ( -0.960 1.103 -6.789) 6.945 7.365 ( 0.212 -3.343 0.202) 3.356 7.444 ( -6.977 -0.673 3.451) 7.812 7.607 ( -2.121 -1.242 -0.414) 2.493 7.681 ( -3.630 -0.960 1.885) 4.201 7.719 ( -0.073 -1.511 -1.715) 2.287 7.846 ( -0.566 3.115 0.518) 3.208 8.005 ( -1.299 1.542 0.413) 2.058 8.063 ( -0.612 4.121 -0.288) 4.176 8.095 ( 3.224 1.549 -1.293) 3.803 8.237 ( 0.273 0.065 3.553) 3.564 8.285 ( 3.268 -1.341 -1.199) 3.730 8.469 ( -4.881 2.771 3.426) 6.576 8.486 ( -0.106 2.769 1.463) 3.134 8.595 ( 1.051 1.594 2.817) 3.403 8.764 ( 2.059 0.425 -1.905) 2.837 8.807 ( -0.639 4.668 0.353) 4.725 8.901 ( -0.670 4.379 -3.003) 5.352 12.192 ( 0.003 6.861 0.195) 6.863 12.301 ( 5.811 9.522 -0.871) 11.189 12.979 ( -0.248 -11.907 4.084) 12.590 13.172 ( -3.539 -10.026 -5.011) 11.754 13.726 ( -3.408 0.706 -1.430) 3.762 13.855 ( 0.807 -1.044 -0.355) 1.366 13.939 ( 3.944 0.506 5.442) 6.740 13.957 ( -1.539 0.710 2.905) 3.363 14.104 ( -1.455 1.889 3.655) 4.365 14.543 ( -2.722 20.612 -10.177) 23.148 14.819 ( -10.829 19.382 -8.566) 23.797 15.024 ( 12.435 -15.337 7.685) 21.188 15.998 ( 0.292 -0.125 2.148) 2.171 16.042 ( 1.122 0.559 1.635) 2.060 16.051 ( -1.187 0.738 0.705) 1.566 16.085 ( -2.575 0.454 -3.440) 4.321 16.140 ( -2.327 -1.726 0.347) 2.918 16.224 ( 3.141 -1.499 4.570) 5.745 16.276 ( 3.291 0.107 1.689) 3.701 16.336 ( -1.793 -0.118 -2.362) 2.968 17.695 ( 1.208 -5.565 3.562) 6.717 17.772 ( -5.924 4.371 -1.198) 7.459 17.898 ( 1.537 -1.326 -3.143) 3.741 17.910 ( 2.815 -0.858 -1.373) 3.247 18.245 ( -6.240 -0.267 -4.112) 7.478 18.299 ( 1.686 -13.162 7.327) 15.158 18.348 ( 7.435 -10.402 4.152) 13.444 18.569 ( -0.653 -0.362 -7.296) 7.334 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.437 24.423 -9.087) 26.099 1.111 ( -12.477 24.738 -14.698) 31.364 1.819 ( 0.862 -0.320 -8.239) 8.290 1.895 ( -13.669 25.226 18.076) 33.911 1.962 ( 1.267 2.271 -0.405) 2.632 2.089 ( 0.822 5.064 -0.893) 5.207 2.170 ( 5.890 -6.125 -4.561) 9.645 2.261 ( 1.039 6.214 0.630) 6.332 2.375 ( 0.336 7.865 2.097) 8.147 2.554 ( -5.025 2.081 5.368) 7.642 2.619 ( 5.086 8.523 -2.149) 10.155 2.678 ( 1.651 4.737 0.291) 5.025 2.821 ( 5.001 7.996 4.430) 10.419 2.836 ( 0.465 5.839 -2.501) 6.369 2.914 ( 5.256 -3.310 -2.315) 6.629 2.952 ( 0.751 0.529 -5.149) 5.230 3.074 ( 1.232 -3.959 3.942) 5.721 3.108 ( 0.156 2.693 7.552) 8.019 3.122 ( -1.834 2.351 0.874) 3.107 3.341 ( 3.136 0.081 -1.739) 3.587 3.390 ( -0.424 1.887 -3.165) 3.709 3.507 ( -3.691 5.022 2.474) 6.705 3.716 ( -3.371 -1.084 2.699) 4.452 3.795 ( -0.741 0.375 -2.085) 2.244 3.823 ( -0.632 -3.176 0.088) 3.239 3.881 ( -1.847 1.085 -0.948) 2.342 3.933 ( 0.568 -4.259 -0.181) 4.301 4.070 ( 1.911 -1.977 -1.076) 2.952 4.114 ( 0.288 0.781 -2.931) 3.047 4.214 ( 0.050 -3.765 -2.671) 4.617 4.265 ( 4.940 -4.821 -1.124) 6.994 4.362 ( -1.649 0.070 1.732) 2.392 4.465 ( 3.426 5.337 1.628) 6.547 4.502 ( -0.859 -3.561 3.402) 5.000 4.564 ( 1.620 -0.327 0.829) 1.849 4.601 ( -0.351 4.476 -0.007) 4.490 4.658 ( -0.383 0.234 -5.535) 5.553 4.751 ( -0.901 -0.824 -0.066) 1.223 4.814 ( -0.902 4.744 6.552) 8.139 4.902 ( 2.297 -1.861 -2.049) 3.597 4.962 ( 2.605 -3.082 -2.844) 4.937 5.081 ( 1.119 -0.894 -0.820) 1.651 5.178 ( 0.979 1.772 2.537) 3.246 5.314 ( -3.249 -0.383 -0.864) 3.384 5.330 ( 3.909 -5.044 5.369) 8.339 5.356 ( -7.755 1.419 -3.790) 8.748 5.426 ( -0.309 -1.475 -3.883) 4.165 5.577 ( -3.335 -5.616 1.026) 6.611 5.702 ( 5.082 1.226 2.969) 6.012 5.720 ( 2.717 -0.883 -0.653) 2.930 5.870 ( -0.637 -0.464 3.694) 3.777 5.909 ( 1.581 0.342 0.441) 1.677 6.235 ( 1.520 2.545 3.889) 4.890 6.382 ( -2.058 -1.168 -0.350) 2.392 6.483 ( 1.973 -2.843 -7.130) 7.926 6.663 ( -1.329 -0.975 -2.428) 2.935 6.759 ( -1.686 -5.911 2.235) 6.541 6.862 ( 0.385 -5.457 -0.305) 5.479 6.949 ( 5.383 -3.572 4.670) 7.971 7.035 ( 1.822 -3.202 -5.152) 6.333 7.126 ( 1.930 0.308 -2.066) 2.844 7.158 ( -1.390 0.626 -2.412) 2.853 7.200 ( 0.069 -1.940 2.012) 2.796 7.312 ( -4.409 -3.544 -1.305) 5.805 7.387 ( -1.237 -2.784 0.310) 3.062 7.557 ( -8.774 2.953 2.937) 9.712 7.594 ( -0.469 1.290 1.940) 2.377 7.743 ( 2.979 -7.068 -4.838) 9.069 7.858 ( 2.556 4.086 -0.928) 4.908 7.934 ( -3.676 3.804 -2.362) 5.794 8.060 ( -0.032 2.062 1.551) 2.581 8.156 ( 2.440 3.426 1.014) 4.327 8.295 ( 1.443 0.312 3.415) 3.720 8.315 ( -3.151 3.599 2.189) 5.260 8.415 ( -2.269 0.651 -0.829) 2.502 8.541 ( 5.368 5.205 2.833) 7.996 8.624 ( -1.620 0.568 4.035) 4.385 8.719 ( -2.751 3.122 -2.655) 4.936 8.834 ( 0.782 1.695 0.461) 1.923 8.867 ( 0.651 -1.392 -2.388) 2.840 12.201 ( 0.442 7.327 0.640) 7.368 12.440 ( 11.074 7.424 -3.476) 13.777 12.982 ( -3.230 -11.281 -0.053) 11.735 13.004 ( -7.617 -7.640 -3.227) 11.261 13.683 ( 0.402 3.124 -0.910) 3.279 13.901 ( 2.283 2.002 2.428) 3.888 13.956 ( -1.522 1.106 2.511) 3.138 14.091 ( 0.504 1.147 8.105) 8.201 14.101 ( -3.314 1.411 2.405) 4.331 14.430 ( 1.921 15.567 -3.561) 16.084 14.536 ( -6.718 18.314 -10.239) 22.031 15.218 ( 3.935 -19.148 1.372) 19.596 15.987 ( -1.426 0.679 -1.778) 2.378 16.011 ( -1.193 0.545 1.211) 1.785 16.041 ( 1.050 0.243 -1.207) 1.618 16.067 ( -0.941 0.127 2.082) 2.288 16.166 ( 1.255 0.291 1.323) 1.847 16.252 ( -1.637 0.015 -0.330) 1.670 16.358 ( 3.372 -0.029 2.641) 4.284 16.434 ( 4.136 -1.172 3.748) 5.704 17.655 ( -3.953 11.008 -0.654) 11.715 17.716 ( -0.928 -2.725 1.178) 3.110 17.838 ( 0.420 1.790 -4.761) 5.104 17.973 ( 2.110 -3.407 1.291) 4.210 18.140 ( -1.741 -4.859 -2.694) 5.822 18.363 ( -1.256 -11.738 2.659) 12.100 18.463 ( -0.707 -1.600 -5.703) 5.965 18.509 ( 4.169 -12.081 2.704) 13.063 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 7.929 21.185 7.876) 23.952 1.621 ( -2.449 6.656 -11.821) 13.785 1.723 ( 13.725 20.929 -10.390) 27.098 2.065 ( 5.005 -3.892 -3.200) 7.102 2.101 ( 2.631 2.056 4.821) 5.865 2.158 ( -1.271 5.129 -3.509) 6.343 2.310 ( -4.117 8.135 7.462) 11.782 2.433 ( -1.692 0.201 7.985) 8.165 2.489 ( -10.423 8.967 -1.279) 13.809 2.562 ( 2.153 3.492 0.724) 4.166 2.681 ( -5.465 2.276 -5.128) 7.832 2.752 ( -1.273 -5.408 -0.398) 5.571 2.824 ( 0.290 -2.553 1.120) 2.803 2.911 ( 3.928 -1.822 2.713) 5.110 2.944 ( 1.259 -0.192 0.057) 1.275 3.058 ( -1.737 6.086 -4.441) 7.732 3.099 ( -2.761 5.867 5.210) 8.318 3.171 ( -4.976 7.969 -3.257) 9.943 3.248 ( -1.310 9.063 5.121) 10.492 3.331 ( 2.926 -5.286 -4.601) 7.594 3.448 ( 4.824 5.207 3.606) 7.962 3.533 ( -3.679 1.511 -0.487) 4.007 3.682 ( -1.079 -2.190 7.848) 8.219 3.706 ( 0.771 -3.327 2.652) 4.324 3.806 ( -1.822 5.504 -1.954) 6.118 3.865 ( 0.493 -2.623 0.147) 2.673 3.974 ( 1.574 -5.290 -0.896) 5.592 4.000 ( -0.062 3.911 1.189) 4.088 4.055 ( -1.281 -7.198 -1.396) 7.443 4.142 ( 1.156 -5.012 -1.605) 5.388 4.258 ( 3.659 0.475 -2.051) 4.222 4.302 ( -2.767 -0.111 -1.286) 3.054 4.393 ( 1.506 -0.044 -0.186) 1.518 4.544 ( -1.822 0.934 -2.382) 3.141 4.606 ( 1.459 1.260 -2.776) 3.380 4.634 ( -3.420 5.692 -4.389) 7.960 4.652 ( 1.300 0.198 -0.431) 1.384 4.770 ( -0.278 4.549 -1.109) 4.690 4.892 ( -4.685 1.943 3.673) 6.262 4.945 ( 3.659 -2.653 3.537) 5.739 5.001 ( 3.186 0.022 0.434) 3.216 5.105 ( -1.368 0.398 -0.405) 1.481 5.116 ( 3.008 -2.360 -0.739) 3.894 5.236 ( -2.363 1.234 -4.656) 5.365 5.283 ( -3.818 -0.606 -0.247) 3.874 5.348 ( -2.110 -3.301 -1.595) 4.230 5.393 ( 4.486 1.317 2.518) 5.310 5.475 ( 1.564 -3.292 3.399) 4.983 5.683 ( 0.367 -3.611 -3.842) 5.285 5.763 ( -2.841 -5.018 0.542) 5.791 5.789 ( 2.472 -3.950 -0.259) 4.667 5.927 ( 0.810 -3.207 1.545) 3.650 6.277 ( 2.542 -5.067 1.279) 5.811 6.354 ( 0.762 -3.350 -1.418) 3.717 6.439 ( -1.703 2.454 1.054) 3.167 6.585 ( -3.930 -3.866 5.140) 7.537 6.691 ( -0.219 2.632 -4.583) 5.290 6.796 ( -0.122 -3.723 0.096) 3.726 6.952 ( 1.365 1.130 0.111) 1.775 6.988 ( 2.990 -0.214 -3.486) 4.598 7.101 ( 2.178 -3.180 0.752) 3.927 7.156 ( 0.102 -2.275 0.606) 2.357 7.187 ( 2.096 -1.949 1.126) 3.076 7.254 ( 1.466 -0.408 1.991) 2.506 7.353 ( -4.273 -0.009 2.783) 5.099 7.565 ( 1.886 -3.850 -4.622) 6.304 7.594 ( -0.121 3.090 1.746) 3.551 7.652 ( 2.518 0.400 -0.172) 2.555 7.939 ( -2.176 4.291 -1.833) 5.149 7.987 ( 0.217 4.509 -1.636) 4.801 8.107 ( -0.712 1.183 4.439) 4.648 8.243 ( -0.467 1.009 0.654) 1.290 8.331 ( -1.530 1.325 2.500) 3.216 8.365 ( -2.106 0.688 3.433) 4.086 8.415 ( 0.885 4.988 -3.432) 6.119 8.574 ( -7.184 -0.023 1.075) 7.264 8.680 ( -2.732 0.398 0.738) 2.857 8.773 ( 0.012 -3.921 -1.804) 4.316 8.794 ( 6.259 4.487 -0.291) 7.707 8.893 ( 3.068 1.755 -1.107) 3.704 12.348 ( -0.644 6.088 1.757) 6.369 12.628 ( 3.286 3.503 -6.472) 8.060 12.754 ( -1.273 -8.682 0.934) 8.824 12.818 ( 0.719 -2.831 -0.650) 2.992 13.778 ( 2.936 3.866 -0.575) 4.888 13.930 ( -4.090 1.244 -0.989) 4.388 13.998 ( -0.161 -0.174 -1.840) 1.856 14.052 ( -1.797 0.484 -1.425) 2.344 14.157 ( -10.143 5.766 11.324) 16.259 14.716 ( 7.637 11.222 -5.009) 14.469 14.828 ( -5.670 -11.108 3.338) 12.910 14.933 ( 13.115 11.266 1.040) 17.321 16.000 ( 0.322 1.811 -0.092) 1.842 16.024 ( -0.681 -0.120 2.471) 2.566 16.059 ( -1.142 -1.127 2.977) 3.382 16.086 ( 2.832 2.051 0.195) 3.503 16.196 ( -1.327 -0.475 -1.007) 1.732 16.215 ( 1.456 0.089 -1.463) 2.066 16.357 ( -3.463 0.453 -2.591) 4.349 16.393 ( -4.618 -0.471 -4.001) 6.128 17.662 ( -2.263 -1.937 2.136) 3.665 17.773 ( -0.065 3.547 -0.488) 3.581 17.876 ( -0.929 -6.533 1.145) 6.698 18.004 ( 0.828 -5.734 -1.602) 6.011 18.064 ( 9.370 8.163 0.112) 12.427 18.079 ( -7.473 -7.925 -0.192) 10.894 18.257 ( -4.851 -12.508 2.260) 13.605 18.456 ( 7.657 -3.260 -2.890) 8.810 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -3.444 -1.159 -13.359) 13.844 1.717 ( 13.191 21.139 -1.489) 24.962 1.947 ( -0.858 5.414 -1.877) 5.794 1.970 ( -10.517 5.401 -9.727) 15.310 2.098 ( 9.488 17.147 3.867) 19.975 2.141 ( -7.520 -1.204 -1.790) 7.823 2.243 ( -0.658 -0.609 2.670) 2.817 2.328 ( -2.660 9.060 -1.452) 9.553 2.463 ( -7.380 -2.264 4.104) 8.743 2.578 ( -1.156 -4.036 2.560) 4.917 2.675 ( 3.392 -0.256 3.717) 5.039 2.682 ( -1.236 -2.355 -1.656) 3.133 2.748 ( -9.462 -1.938 3.928) 10.426 2.871 ( -6.308 3.180 4.085) 8.161 2.938 ( 3.255 5.178 -4.785) 7.766 3.012 ( -4.886 5.027 3.688) 7.921 3.094 ( 0.146 8.904 0.374) 8.914 3.176 ( -0.268 2.121 4.378) 4.872 3.264 ( 0.510 6.022 2.597) 6.578 3.347 ( 1.752 0.425 -3.123) 3.606 3.475 ( 1.682 -0.689 -0.602) 1.915 3.548 ( 2.413 3.081 -1.623) 4.236 3.718 ( -2.582 5.644 2.011) 6.524 3.745 ( -2.071 -1.592 2.003) 3.292 3.826 ( 1.638 -2.989 0.116) 3.410 3.886 ( 2.921 -3.127 4.187) 5.987 3.953 ( 1.746 -0.452 -0.621) 1.907 4.043 ( 2.289 -3.661 -1.920) 4.725 4.072 ( 3.329 1.540 0.600) 3.716 4.172 ( 3.246 0.935 0.456) 3.409 4.302 ( 2.176 2.672 0.702) 3.517 4.309 ( 3.137 -1.648 -1.116) 3.715 4.422 ( 1.145 1.454 -0.529) 1.925 4.434 ( -1.651 1.530 -4.307) 4.859 4.545 ( -3.128 4.480 -3.982) 6.761 4.579 ( 0.162 1.192 -3.056) 3.284 4.692 ( 1.442 1.160 0.194) 1.860 4.742 ( -0.091 2.725 -0.641) 2.801 4.866 ( -3.113 3.764 3.798) 6.187 4.993 ( -1.084 -1.484 0.351) 1.870 5.035 ( -1.686 -0.845 1.532) 2.430 5.091 ( 0.714 -3.720 -0.360) 3.805 5.173 ( -0.855 -3.993 0.584) 4.125 5.205 ( 1.696 1.234 -0.326) 2.122 5.226 ( 2.017 -4.265 -0.868) 4.797 5.276 ( -2.135 -0.197 -2.679) 3.431 5.435 ( -1.283 -1.863 -0.602) 2.341 5.525 ( 1.208 -3.270 1.017) 3.631 5.645 ( -0.018 -1.837 -1.684) 2.492 5.705 ( -3.480 -2.593 -1.068) 4.470 5.862 ( 2.694 -5.350 3.536) 6.956 5.940 ( -0.020 -6.784 -2.837) 7.353 6.311 ( -0.414 -1.260 0.459) 1.403 6.339 ( 0.415 -2.617 -0.361) 2.674 6.409 ( -1.333 0.263 0.429) 1.425 6.577 ( -2.647 -4.601 4.835) 7.180 6.668 ( 1.317 1.886 -2.205) 3.186 6.791 ( -1.646 -5.461 2.109) 6.081 6.970 ( -0.576 4.072 1.523) 4.386 7.032 ( 4.504 -0.205 -3.216) 5.537 7.088 ( -0.934 -0.924 -7.487) 7.601 7.190 ( 2.895 -1.852 -2.228) 4.096 7.255 ( -3.151 -1.766 1.763) 4.020 7.280 ( 3.130 -1.032 5.486) 6.400 7.323 ( 1.606 -0.542 3.312) 3.720 7.555 ( -0.774 -3.630 -1.197) 3.900 7.624 ( 2.144 4.789 -4.130) 6.677 7.731 ( 5.769 -0.349 2.860) 6.448 7.883 ( -2.084 4.781 -0.193) 5.219 7.978 ( 1.300 3.641 -2.817) 4.784 8.116 ( -3.807 3.984 -0.111) 5.511 8.226 ( -0.846 -1.954 2.938) 3.629 8.277 ( -4.254 -1.519 3.583) 5.766 8.393 ( -1.543 0.694 5.259) 5.524 8.403 ( -2.867 1.322 -2.722) 4.169 8.459 ( -0.134 2.371 -0.623) 2.455 8.646 ( -2.784 -0.454 1.450) 3.172 8.737 ( -0.571 -1.701 -1.218) 2.169 8.893 ( 4.591 4.268 -1.751) 6.509 8.977 ( 5.421 3.022 -0.899) 6.271 12.344 ( -1.568 5.770 1.739) 6.227 12.555 ( -3.054 7.373 -4.717) 9.271 12.738 ( -1.233 -8.402 0.356) 8.500 12.900 ( 7.495 -5.527 -1.635) 9.455 13.776 ( -3.950 2.141 -1.658) 4.789 13.881 ( -0.486 1.330 1.444) 2.022 13.920 ( -1.521 -0.117 -0.425) 1.584 14.042 ( -3.229 3.283 2.320) 5.156 14.100 ( -2.601 0.952 6.804) 7.346 14.611 ( -12.927 -16.513 -3.328) 21.233 14.952 ( 15.438 21.399 -3.813) 26.660 15.246 ( 15.007 14.796 1.629) 21.137 15.986 ( -2.099 0.565 -0.377) 2.206 16.039 ( -0.345 -0.643 1.093) 1.314 16.072 ( -0.509 -1.407 0.841) 1.717 16.101 ( -3.165 0.008 -1.141) 3.365 16.190 ( 2.613 2.896 5.617) 6.839 16.211 ( -1.734 0.801 -0.790) 2.067 16.268 ( -0.929 -0.390 -1.958) 2.202 16.326 ( 2.927 0.102 0.361) 2.951 17.584 ( -9.450 -6.487 1.040) 11.510 17.786 ( 1.528 2.201 -0.052) 2.680 17.803 ( -7.399 -13.185 -0.782) 15.139 17.892 ( -5.822 -3.542 -4.516) 8.176 17.995 ( -1.297 -4.241 -0.542) 4.468 18.158 ( -5.498 -10.781 0.263) 12.105 18.313 ( 12.603 6.385 2.813) 14.405 18.597 ( 7.593 -2.660 -1.681) 8.219 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.992 -6.153 -13.505) 15.658 1.676 ( -2.999 7.257 -9.665) 12.453 1.848 ( -0.799 4.441 -8.764) 9.857 1.907 ( 6.035 12.331 -1.903) 13.860 2.029 ( -0.277 6.683 -0.296) 6.696 2.099 ( -16.531 -8.436 6.893) 19.798 2.229 ( -5.690 -0.153 8.306) 10.069 2.275 ( -2.141 1.521 -4.491) 5.203 2.434 ( 5.268 3.766 5.322) 8.382 2.543 ( -4.038 -1.706 -6.386) 7.746 2.626 ( -3.162 2.321 5.225) 6.534 2.738 ( -2.039 -1.078 4.279) 4.861 2.782 ( -1.552 6.622 3.151) 7.496 2.839 ( 0.584 -1.847 0.917) 2.143 2.929 ( 2.366 6.493 1.500) 7.072 3.044 ( 1.522 3.242 5.379) 6.462 3.109 ( 0.067 7.115 3.157) 7.784 3.194 ( -1.124 0.951 1.541) 2.132 3.261 ( -0.359 3.141 -4.338) 5.367 3.314 ( -0.699 5.488 -1.950) 5.866 3.440 ( -4.273 2.852 -3.422) 6.172 3.646 ( 3.911 1.580 1.527) 4.486 3.685 ( 0.134 1.846 3.441) 3.907 3.748 ( -0.621 -0.999 4.427) 4.580 3.779 ( -3.865 -0.258 -0.391) 3.893 3.919 ( 0.926 -0.200 -3.652) 3.773 4.025 ( 1.369 -0.716 2.020) 2.543 4.086 ( 2.908 0.700 0.044) 2.991 4.173 ( 6.937 7.881 -3.067) 10.938 4.200 ( 1.139 7.417 -1.206) 7.601 4.337 ( 2.949 -1.333 0.507) 3.276 4.355 ( 2.559 1.301 -4.378) 5.235 4.422 ( -1.786 2.879 -0.882) 3.501 4.440 ( 0.082 -0.657 0.877) 1.098 4.522 ( 0.802 -1.285 2.859) 3.235 4.579 ( 5.986 0.869 -1.751) 6.297 4.670 ( -1.538 2.448 -1.615) 3.311 4.763 ( -0.208 0.933 2.519) 2.694 4.839 ( -1.189 4.832 1.836) 5.304 4.913 ( -5.352 -2.422 -3.912) 7.059 5.040 ( 0.862 -2.833 3.498) 4.583 5.078 ( -2.322 -5.005 -1.447) 5.704 5.144 ( -4.268 -1.508 -1.698) 4.835 5.190 ( 0.366 0.846 0.652) 1.129 5.231 ( 2.191 -4.795 0.747) 5.324 5.349 ( 5.729 0.409 3.470) 6.711 5.456 ( -1.697 -2.829 2.374) 4.064 5.488 ( -0.213 -6.070 -1.923) 6.371 5.590 ( -4.842 -0.115 -2.375) 5.394 5.688 ( 3.385 1.022 -1.875) 4.002 5.877 ( -0.486 -7.832 -4.783) 9.190 5.933 ( 0.542 -3.565 3.908) 5.318 6.282 ( -1.319 -2.010 -0.792) 2.531 6.346 ( 0.450 -4.217 -1.664) 4.556 6.438 ( 1.309 1.901 2.710) 3.560 6.602 ( 0.984 -3.233 4.638) 5.739 6.642 ( -2.586 1.075 -3.060) 4.148 6.773 ( -3.331 -6.098 3.320) 7.701 6.941 ( -3.967 3.318 -0.278) 5.179 7.010 ( 0.839 0.342 -2.223) 2.400 7.072 ( 2.054 0.680 -2.631) 3.406 7.156 ( -0.205 -1.805 -7.481) 7.698 7.229 ( -0.089 1.168 -0.468) 1.262 7.358 ( 1.465 -0.273 1.837) 2.365 7.451 ( 4.825 -6.819 3.123) 8.918 7.528 ( 0.025 -1.698 -0.251) 1.716 7.619 ( 2.633 2.736 -3.645) 5.264 7.849 ( 3.398 1.016 -1.086) 3.709 7.885 ( 1.759 1.113 1.489) 2.560 7.956 ( -1.194 5.294 -3.008) 6.204 8.032 ( -2.858 4.264 3.019) 5.955 8.217 ( -2.449 -2.233 1.537) 3.653 8.243 ( -6.591 -3.024 2.002) 7.523 8.299 ( -2.052 -4.216 1.085) 4.813 8.446 ( 1.484 3.132 2.940) 4.545 8.506 ( 0.846 2.150 4.329) 4.907 8.608 ( -1.067 1.561 -0.856) 2.075 8.731 ( -0.129 -0.444 0.472) 0.661 8.939 ( 2.918 5.601 -2.765) 6.894 9.041 ( 3.071 3.983 -2.448) 5.594 12.329 ( -1.499 5.758 1.295) 6.089 12.468 ( -1.763 9.772 -3.102) 10.403 12.725 ( -0.831 -8.451 1.215) 8.578 13.009 ( 6.207 -8.670 -3.633) 11.265 13.711 ( -0.677 0.301 -0.970) 1.220 13.814 ( -3.591 -2.127 0.876) 4.264 13.966 ( -2.521 1.821 2.344) 3.895 14.032 ( 0.573 3.183 7.073) 7.777 14.194 ( 0.931 -3.015 9.530) 10.039 14.311 ( -9.555 -10.835 -6.888) 16.004 15.144 ( 10.627 25.269 -8.794) 28.788 15.440 ( 7.086 18.375 -4.061) 20.108 15.940 ( -0.945 -0.133 -0.732) 1.203 16.010 ( -0.504 -0.471 -3.820) 3.881 16.050 ( -1.859 -0.135 3.314) 3.802 16.079 ( -0.666 -0.543 1.722) 1.924 16.192 ( -0.196 -0.031 -1.017) 1.036 16.217 ( -0.386 0.140 -0.535) 0.675 16.387 ( 3.992 0.997 5.247) 6.668 16.412 ( 2.837 0.440 1.593) 3.283 17.357 ( -12.053 -13.454 2.533) 18.240 17.647 ( -6.579 -20.765 3.125) 22.006 17.826 ( 1.387 1.030 -0.612) 1.833 17.832 ( 2.105 0.898 -0.712) 2.397 17.955 ( -2.240 -2.793 -0.918) 3.697 18.090 ( -2.705 -7.917 1.546) 8.508 18.530 ( 8.727 4.111 -0.273) 9.651 18.647 ( 0.983 0.220 -5.155) 5.252 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 15.569 -10.715 -11.702) 22.229 1.704 ( 0.449 12.768 -17.192) 21.420 1.742 ( 7.741 3.608 6.295) 10.610 1.946 ( -5.232 -5.182 11.325) 13.509 1.969 ( -1.781 -7.405 9.258) 11.988 2.129 ( 8.728 14.201 -5.644) 17.598 2.195 ( -3.553 1.192 1.402) 4.001 2.239 ( 1.185 -3.334 5.621) 6.642 2.413 ( -2.122 -0.065 -6.293) 6.641 2.511 ( -4.092 4.577 3.520) 7.077 2.657 ( -2.116 6.404 4.503) 8.110 2.662 ( 1.620 4.241 -4.128) 6.136 2.819 ( 0.908 2.099 2.012) 3.046 2.841 ( -5.023 -3.528 2.852) 6.768 2.934 ( -3.592 8.485 2.248) 9.484 3.024 ( -5.646 3.913 -1.769) 7.094 3.125 ( 0.684 0.826 -2.210) 2.456 3.191 ( 3.571 -1.154 -5.195) 6.409 3.242 ( -2.552 8.853 3.817) 9.973 3.292 ( 1.837 3.112 -1.590) 3.947 3.345 ( -1.236 2.689 -0.677) 3.037 3.633 ( -3.056 -2.942 1.183) 4.403 3.709 ( -0.124 -4.443 -0.279) 4.453 3.762 ( 1.060 11.488 2.058) 11.718 3.853 ( 0.806 -1.456 7.853) 8.027 3.955 ( 4.886 1.620 -1.495) 5.360 4.001 ( -3.689 -0.391 1.012) 3.845 4.070 ( -2.854 8.477 -5.783) 10.651 4.174 ( 3.145 1.017 0.490) 3.341 4.269 ( -2.490 5.468 -4.716) 7.638 4.344 ( 2.637 3.287 -1.509) 4.476 4.385 ( -1.258 -0.071 0.754) 1.468 4.413 ( 1.203 1.490 -0.394) 1.955 4.429 ( 2.075 -3.038 0.113) 3.681 4.514 ( -0.442 -0.718 0.002) 0.843 4.645 ( -0.784 0.497 -2.903) 3.048 4.719 ( 3.546 2.592 4.551) 6.325 4.753 ( -1.243 0.924 -1.502) 2.158 4.778 ( -1.426 0.027 -5.894) 6.064 4.870 ( 0.590 5.046 3.561) 6.204 5.034 ( -1.106 -3.874 2.117) 4.552 5.067 ( -1.840 -2.792 1.681) 3.743 5.124 ( 4.198 -2.930 1.250) 5.270 5.222 ( -2.733 -1.147 -2.935) 4.171 5.263 ( 1.152 -4.774 6.928) 8.492 5.377 ( -3.478 2.403 -3.994) 5.815 5.423 ( -0.813 -3.847 2.586) 4.706 5.539 ( 5.910 -2.822 2.108) 6.880 5.551 ( 0.673 -1.563 1.543) 2.297 5.706 ( 0.316 4.172 -5.146) 6.632 5.870 ( 1.319 -6.398 0.793) 6.581 5.964 ( -0.591 -4.626 2.015) 5.080 6.286 ( 1.740 -2.662 0.675) 3.251 6.315 ( -0.753 -1.248 -0.937) 1.733 6.441 ( -2.141 0.091 -3.562) 4.157 6.557 ( -2.783 -0.876 0.277) 2.930 6.682 ( 2.879 -3.945 2.145) 5.334 6.724 ( -3.632 -5.734 0.774) 6.831 6.886 ( -1.018 3.413 -0.456) 3.590 7.001 ( -0.768 -2.240 -5.454) 5.946 7.061 ( 2.811 2.253 -0.363) 3.621 7.126 ( 1.925 0.406 -2.998) 3.586 7.234 ( 1.769 -0.067 -2.381) 2.967 7.368 ( -0.326 -0.686 -0.711) 1.040 7.502 ( -0.929 -6.727 0.660) 6.823 7.545 ( -0.477 -2.605 0.115) 2.650 7.647 ( 1.898 1.712 -0.883) 2.704 7.819 ( -1.224 1.072 -5.031) 5.287 7.916 ( -0.651 3.237 3.105) 4.532 7.978 ( 2.856 0.313 3.147) 4.261 8.067 ( 2.044 4.810 3.143) 6.099 8.127 ( -3.318 -1.937 -1.674) 4.191 8.214 ( -1.785 -2.355 2.598) 3.934 8.263 ( -1.521 -2.108 -1.127) 2.833 8.494 ( 0.924 1.874 1.888) 2.816 8.539 ( -2.727 1.116 5.290) 6.055 8.605 ( 0.563 3.152 1.221) 3.427 8.732 ( -0.365 -0.415 0.699) 0.891 8.952 ( 1.366 6.266 -2.793) 6.995 9.043 ( 0.582 4.416 -3.829) 5.874 12.319 ( -0.725 5.967 0.913) 6.080 12.438 ( 1.463 9.777 -2.361) 10.164 12.735 ( -0.119 -9.271 2.632) 9.638 13.039 ( 1.785 -10.287 -5.552) 11.825 13.726 ( 1.563 -0.512 0.752) 1.809 13.798 ( 1.096 -2.014 1.588) 2.789 13.933 ( -2.172 0.274 -0.407) 2.226 13.995 ( -8.972 -3.559 -0.062) 9.652 14.131 ( -0.206 3.297 6.552) 7.338 14.471 ( 7.382 -7.576 15.039) 18.386 15.155 ( 2.521 25.962 -13.946) 29.578 15.440 ( -0.206 20.537 -9.764) 22.741 15.951 ( 1.615 -0.250 1.096) 1.968 15.996 ( 1.807 -0.103 -0.990) 2.063 16.051 ( -1.975 -0.535 4.095) 4.578 16.103 ( 1.288 -1.099 2.610) 3.111 16.161 ( -1.429 0.169 -2.683) 3.045 16.203 ( -0.710 0.382 -1.200) 1.446 16.312 ( -7.011 -2.434 -6.558) 9.904 16.396 ( -3.333 -2.208 -4.444) 5.978 17.367 ( 3.416 -11.852 13.379) 18.198 17.680 ( 1.834 -17.441 8.942) 19.685 17.860 ( 1.134 -0.651 -0.983) 1.636 17.883 ( 2.020 -1.454 3.196) 4.051 17.911 ( 0.152 -1.703 0.423) 1.762 18.087 ( -0.191 -6.979 3.564) 7.838 18.535 ( -5.076 3.480 -9.090) 10.978 18.614 ( 3.388 1.065 -5.791) 6.793 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.339 20.332 -17.755) 27.094 1.580 ( 16.594 -9.717 -8.312) 20.949 1.809 ( -5.494 -2.413 1.743) 6.249 2.014 ( -6.018 -1.596 6.204) 8.789 2.064 ( -2.200 10.458 -4.942) 11.774 2.123 ( 5.695 1.755 6.274) 8.653 2.283 ( -0.055 1.057 -4.199) 4.330 2.350 ( 10.310 2.368 -0.019) 10.578 2.369 ( 2.732 2.446 4.662) 5.932 2.479 ( -2.854 6.804 0.365) 7.387 2.601 ( 6.766 3.832 6.034) 9.842 2.660 ( -3.338 -1.596 -0.160) 3.703 2.787 ( -2.316 3.522 7.467) 8.575 2.873 ( 0.003 1.359 1.627) 2.120 2.922 ( 0.553 3.938 0.381) 3.995 2.992 ( 0.362 5.355 2.045) 5.744 3.089 ( 0.073 1.817 -6.803) 7.042 3.141 ( 0.844 -2.524 -3.241) 4.193 3.266 ( -3.136 6.375 6.776) 9.818 3.291 ( 4.392 5.927 -7.076) 10.222 3.421 ( 1.083 1.162 7.082) 7.258 3.612 ( 0.854 -3.547 0.509) 3.684 3.711 ( -1.273 -3.991 3.070) 5.194 3.803 ( -2.429 3.673 2.129) 4.891 3.848 ( -2.926 2.089 -3.658) 5.129 3.896 ( -0.445 0.488 0.500) 0.828 3.943 ( -4.340 4.117 -1.931) 6.286 4.078 ( 2.189 0.983 -1.692) 2.936 4.176 ( -6.092 2.530 0.986) 6.669 4.213 ( -6.494 -1.112 -2.054) 6.901 4.243 ( 1.196 1.498 0.440) 1.967 4.357 ( 0.147 -0.957 -0.378) 1.040 4.444 ( -0.104 0.238 1.553) 1.575 4.501 ( 4.451 3.373 -1.279) 5.729 4.543 ( -1.050 -1.489 -1.081) 2.119 4.605 ( 2.895 1.064 -0.558) 3.134 4.688 ( 1.792 0.059 -5.441) 5.728 4.790 ( 2.396 1.936 0.281) 3.093 4.820 ( 2.466 3.608 1.293) 4.557 4.880 ( -1.601 2.449 3.091) 4.256 4.994 ( -4.590 0.668 -2.510) 5.274 5.075 ( -0.571 -1.703 1.963) 2.661 5.149 ( 1.826 -3.865 2.575) 4.990 5.212 ( 0.303 0.145 -0.925) 0.984 5.338 ( -0.750 -6.030 3.843) 7.189 5.357 ( 2.875 0.219 1.400) 3.205 5.432 ( -0.404 -2.460 0.108) 2.495 5.572 ( -1.350 -0.618 2.879) 3.239 5.610 ( -0.323 0.984 -4.193) 4.319 5.666 ( 3.200 -0.685 -1.113) 3.456 5.871 ( -2.785 -2.014 0.759) 3.520 5.931 ( -0.979 -3.214 -3.203) 4.642 6.269 ( -0.969 1.817 0.227) 2.072 6.357 ( -1.116 -3.234 -3.203) 4.686 6.423 ( 2.285 -3.604 3.832) 5.736 6.497 ( -0.076 -6.302 0.851) 6.360 6.710 ( 0.809 -2.227 0.514) 2.424 6.753 ( 3.524 -3.344 1.502) 5.085 6.854 ( -0.790 3.906 -2.033) 4.474 6.986 ( 4.274 -2.011 -5.728) 7.424 7.114 ( 2.184 0.908 -0.755) 2.482 7.134 ( 0.019 -0.394 1.365) 1.421 7.237 ( 1.397 -2.827 -3.449) 4.673 7.341 ( -1.640 0.171 -3.575) 3.937 7.394 ( -8.944 -4.809 0.756) 10.183 7.530 ( -0.391 -5.348 0.705) 5.408 7.668 ( 1.123 0.811 -1.622) 2.133 7.741 ( -3.800 2.061 -2.147) 4.827 7.934 ( -0.249 4.849 3.363) 5.906 8.045 ( 0.463 2.152 1.712) 2.789 8.080 ( -0.659 0.282 -1.836) 1.971 8.159 ( 3.813 2.583 1.939) 4.997 8.220 ( 1.593 -0.761 1.211) 2.141 8.267 ( 2.199 -1.262 2.569) 3.609 8.506 ( -2.394 1.734 1.653) 3.386 8.541 ( 0.294 1.920 3.265) 3.799 8.633 ( -1.011 2.124 4.159) 4.779 8.733 ( 0.233 -2.035 0.022) 2.049 8.925 ( -1.320 5.688 -3.424) 6.769 8.990 ( -1.744 3.941 -4.471) 6.210 12.321 ( 0.055 6.275 0.877) 6.336 12.474 ( 4.937 8.197 -2.585) 9.912 12.762 ( -0.379 -10.049 3.014) 10.498 12.977 ( -2.019 -9.668 -5.679) 11.393 13.751 ( 0.337 1.883 -0.845) 2.091 13.848 ( 2.596 0.297 0.012) 2.613 13.923 ( 3.864 -2.281 4.654) 6.464 13.947 ( 0.433 -1.104 -0.265) 1.216 14.189 ( -4.272 6.157 12.774) 14.810 14.724 ( 2.947 -13.197 14.079) 19.521 14.976 ( -4.488 22.021 -16.517) 27.891 15.217 ( -8.803 18.560 -16.830) 26.556 15.995 ( 0.484 -0.076 2.573) 2.619 16.038 ( -0.532 -0.689 2.040) 2.218 16.068 ( 0.740 0.111 1.606) 1.772 16.083 ( -4.631 -1.098 -3.310) 5.797 16.112 ( 0.905 -0.257 -1.317) 1.619 16.193 ( 4.456 -1.673 2.879) 5.562 16.270 ( 4.068 -0.650 1.626) 4.429 16.316 ( -0.218 -2.021 -2.993) 3.618 17.569 ( 3.573 -6.340 9.036) 11.602 17.790 ( 1.852 -6.823 3.639) 7.952 17.827 ( -1.203 -0.923 -0.465) 1.586 17.908 ( 2.792 -1.059 -4.210) 5.161 18.042 ( 2.307 -8.589 11.798) 14.775 18.158 ( 2.530 -8.404 6.164) 10.725 18.311 ( -7.558 4.985 -10.526) 13.884 18.551 ( -0.966 -1.587 -10.412) 10.577 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -3.037 21.392 -4.660) 22.103 1.631 ( 5.024 23.442 -17.944) 29.946 1.781 ( 5.976 -2.562 -7.357) 9.819 1.985 ( 5.397 0.139 -10.307) 11.635 2.011 ( -2.525 -4.162 10.129) 11.238 2.183 ( 1.641 2.752 -3.038) 4.415 2.281 ( -0.149 3.702 5.807) 6.888 2.377 ( -4.358 12.335 9.932) 16.426 2.512 ( 3.529 5.761 0.910) 6.817 2.592 ( 0.462 2.167 3.104) 3.814 2.687 ( 11.049 -4.118 0.299) 11.795 2.764 ( -1.509 -0.729 1.969) 2.586 2.804 ( -1.042 -1.835 3.848) 4.389 2.859 ( -3.297 0.363 -3.548) 4.857 2.957 ( -1.375 3.316 3.838) 5.255 3.012 ( 6.620 5.676 1.703) 8.884 3.072 ( 3.869 4.220 -3.713) 6.824 3.187 ( 2.765 4.185 2.420) 5.569 3.246 ( -3.114 5.827 2.596) 7.099 3.325 ( 2.315 -1.898 -3.735) 4.786 3.433 ( -1.899 3.823 0.803) 4.344 3.615 ( -6.796 4.259 1.955) 8.255 3.668 ( -4.023 -3.238 4.834) 7.074 3.757 ( -3.144 -3.030 0.242) 4.373 3.811 ( -0.757 0.638 2.512) 2.700 3.863 ( 0.646 -2.537 -2.198) 3.418 3.927 ( 0.303 2.728 1.453) 3.106 4.034 ( -1.497 -0.948 -4.208) 4.566 4.103 ( -3.466 -1.456 0.643) 3.814 4.136 ( 1.867 -1.926 -0.950) 2.846 4.240 ( -0.599 2.037 -1.780) 2.771 4.369 ( 0.791 -0.053 -0.055) 0.795 4.407 ( -5.068 -3.939 -1.268) 6.543 4.538 ( 2.304 1.423 1.217) 2.969 4.572 ( 3.212 0.479 -1.930) 3.778 4.633 ( 2.613 -2.166 -3.036) 4.554 4.727 ( 0.657 7.028 2.028) 7.344 4.769 ( -1.596 2.464 -1.055) 3.120 4.872 ( -0.072 -1.069 0.522) 1.192 4.897 ( 1.209 -0.638 0.020) 1.368 4.946 ( 3.260 4.165 0.608) 5.323 5.078 ( 1.000 -0.079 -1.859) 2.112 5.182 ( -3.330 -1.451 0.451) 3.660 5.260 ( 2.833 -0.655 6.444) 7.070 5.320 ( -2.737 0.731 -1.444) 3.180 5.349 ( -1.428 -1.511 0.333) 2.105 5.384 ( -0.237 -1.581 -2.925) 3.334 5.488 ( -5.904 -2.068 -3.667) 7.251 5.693 ( 6.138 -2.962 0.261) 6.820 5.701 ( 2.182 -0.313 0.873) 2.371 5.814 ( -2.163 -5.090 -0.793) 5.587 5.914 ( 0.011 -1.720 -0.168) 1.728 6.250 ( -0.718 -1.621 -0.843) 1.963 6.333 ( 1.154 -4.009 -0.387) 4.189 6.424 ( 1.486 -0.017 -0.136) 1.492 6.600 ( -0.784 -4.055 6.244) 7.486 6.723 ( 0.448 -0.544 -1.009) 1.230 6.798 ( -0.100 -1.841 -0.051) 1.845 6.893 ( 5.404 -0.080 0.565) 5.434 6.994 ( 1.566 -0.587 -4.185) 4.506 7.100 ( -1.697 -1.865 -2.732) 3.717 7.153 ( -0.559 -2.240 2.248) 3.223 7.179 ( -3.082 -0.589 -1.393) 3.433 7.235 ( 0.289 -3.807 -2.956) 4.828 7.361 ( -0.854 -0.449 3.276) 3.415 7.555 ( 2.955 -5.037 -1.237) 5.970 7.628 ( -3.628 0.882 -0.045) 3.734 7.660 ( -2.202 1.594 -2.429) 3.645 7.967 ( 1.141 5.792 0.218) 5.908 8.010 ( -2.400 3.720 -1.086) 4.558 8.088 ( -0.534 1.885 3.030) 3.608 8.215 ( 2.194 1.748 0.130) 2.808 8.287 ( 3.438 -0.042 0.789) 3.528 8.350 ( 0.196 -0.637 5.090) 5.134 8.463 ( -3.415 4.331 0.931) 5.593 8.624 ( 5.145 2.530 2.965) 6.454 8.638 ( -2.835 0.660 4.506) 5.365 8.741 ( 1.211 -2.558 -2.495) 3.772 8.836 ( -3.360 2.737 -4.019) 5.910 8.912 ( -2.030 2.752 -3.047) 4.580 12.335 ( 0.218 6.387 1.282) 6.518 12.560 ( 7.401 5.217 -3.972) 9.887 12.770 ( -1.366 -9.754 1.918) 10.034 12.877 ( -3.351 -5.872 -3.534) 7.628 13.747 ( 1.972 3.596 -2.630) 4.872 13.940 ( 4.542 1.512 0.938) 4.878 13.959 ( 0.335 -0.566 1.977) 2.084 14.059 ( 3.318 -2.034 3.107) 4.980 14.208 ( -8.158 6.867 13.708) 17.368 14.742 ( -2.002 12.548 -9.930) 16.126 14.823 ( -1.956 -1.441 -1.271) 2.742 14.928 ( -5.088 3.854 -5.002) 8.109 16.006 ( -0.762 1.337 -1.130) 1.909 16.016 ( -0.859 0.070 2.535) 2.678 16.046 ( -0.250 -0.527 1.415) 1.531 16.067 ( 0.449 1.097 -1.234) 1.711 16.168 ( 2.631 -0.305 0.259) 2.661 16.238 ( -0.209 -1.754 -1.559) 2.356 16.360 ( 3.638 0.195 2.402) 4.363 16.409 ( 4.013 -1.316 3.100) 5.238 17.656 ( -0.057 -2.618 3.559) 4.418 17.786 ( -0.927 2.738 0.000) 2.891 17.855 ( 1.539 -4.569 -0.225) 4.827 17.927 ( 4.568 -0.141 -3.551) 5.787 18.102 ( -4.575 3.144 -6.751) 8.740 18.141 ( -2.622 -9.200 7.223) 11.987 18.260 ( 0.410 -11.250 5.849) 12.686 18.434 ( 0.761 -2.655 -8.874) 9.294 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -10.043 10.916 0.850) 14.857 1.836 ( 5.779 11.086 4.807) 13.394 1.972 ( 3.723 -0.582 3.956) 5.463 2.026 ( 7.709 2.017 1.457) 8.100 2.131 ( -4.439 -5.302 0.565) 6.938 2.202 ( 6.010 -1.045 0.400) 6.113 2.336 ( 2.292 2.958 -1.747) 4.130 2.411 ( -1.043 7.858 0.635) 7.953 2.495 ( -2.756 -8.854 -4.114) 10.145 2.633 ( 5.299 -8.026 1.064) 9.676 2.654 ( -9.580 5.294 -6.544) 12.753 2.740 ( -7.343 -1.616 -0.794) 7.560 2.817 ( -0.428 5.914 -0.912) 5.999 2.905 ( 1.910 -0.815 -0.700) 2.192 2.992 ( 0.866 5.887 1.660) 6.178 3.131 ( 9.169 -7.460 -4.350) 12.596 3.206 ( -3.840 6.846 0.837) 7.894 3.242 ( -3.671 4.734 0.114) 5.992 3.357 ( -2.960 5.895 -0.545) 6.619 3.406 ( 2.249 2.492 3.076) 4.553 3.490 ( 6.204 0.397 2.735) 6.792 3.541 ( 0.192 -3.365 2.891) 4.440 3.620 ( -8.688 2.554 2.860) 9.496 3.674 ( 1.125 0.482 0.650) 1.385 3.774 ( -3.119 -7.202 1.133) 7.930 3.820 ( 1.586 -9.116 -0.068) 9.253 3.919 ( 1.390 3.548 3.307) 5.046 3.990 ( -0.395 -1.941 1.251) 2.343 4.041 ( -0.465 7.109 -0.478) 7.140 4.159 ( -1.086 1.556 -1.221) 2.256 4.226 ( 0.422 -2.192 -2.277) 3.188 4.270 ( 0.526 -2.775 -1.727) 3.311 4.470 ( 2.863 5.131 -1.498) 6.064 4.544 ( -0.129 -1.714 -2.860) 3.336 4.613 ( 2.842 0.552 1.856) 3.439 4.639 ( 2.612 -1.365 1.008) 3.115 4.741 ( -3.376 4.720 -4.291) 7.217 4.832 ( -0.973 -4.981 0.169) 5.078 4.865 ( -0.836 4.640 -2.401) 5.291 4.952 ( -0.036 1.904 0.609) 1.999 4.973 ( 0.181 -1.126 2.313) 2.578 5.058 ( 0.782 -4.041 -0.376) 4.134 5.183 ( -1.854 2.290 -4.060) 5.017 5.234 ( -4.523 -1.319 -2.007) 5.122 5.262 ( 4.063 2.359 -1.007) 4.804 5.381 ( 0.305 -0.867 -1.424) 1.695 5.407 ( -0.322 3.199 -0.317) 3.231 5.461 ( 1.156 3.411 -0.748) 3.678 5.596 ( 0.143 -4.944 -1.184) 5.085 5.661 ( 0.804 -7.080 1.928) 7.382 5.735 ( -0.624 2.362 -0.843) 2.585 5.835 ( -0.990 -5.772 -1.058) 5.951 6.218 ( 2.487 -0.547 0.928) 2.710 6.255 ( 2.956 -4.153 -0.564) 5.128 6.514 ( -4.732 2.945 4.005) 6.863 6.544 ( -4.626 -0.960 4.740) 6.693 6.706 ( -0.535 0.022 -2.156) 2.221 6.734 ( -1.958 -2.510 0.783) 3.278 6.989 ( 2.474 2.067 0.829) 3.329 7.026 ( 3.237 0.172 -3.206) 4.559 7.059 ( 3.494 2.167 -0.385) 4.130 7.126 ( 1.246 -2.187 -1.358) 2.860 7.153 ( 2.748 0.663 0.417) 2.857 7.220 ( 4.523 -3.754 0.902) 5.946 7.365 ( -4.840 1.646 3.120) 5.989 7.431 ( -1.730 -5.469 0.462) 5.755 7.671 ( 3.072 2.178 0.184) 3.770 7.680 ( 2.924 1.000 0.429) 3.120 8.009 ( -1.594 2.764 -1.692) 3.611 8.041 ( -1.550 0.079 -0.621) 1.672 8.151 ( -1.815 3.874 2.205) 4.813 8.225 ( -1.817 -2.798 1.424) 3.627 8.356 ( -1.783 1.496 3.220) 3.973 8.372 ( -0.315 0.098 3.665) 3.680 8.517 ( -2.118 4.054 -2.365) 5.149 8.563 ( -6.251 -1.122 0.480) 6.369 8.681 ( -0.733 -0.221 -0.914) 1.192 8.699 ( -0.383 -2.657 -1.138) 2.916 8.871 ( 5.444 3.091 -1.503) 6.438 8.908 ( 4.057 -0.527 -1.917) 4.518 12.464 ( -0.981 5.997 1.710) 6.313 12.592 ( -0.885 -7.123 1.261) 7.288 12.698 ( 2.736 3.176 -4.066) 5.840 12.761 ( 2.030 -3.074 -2.431) 4.414 13.861 ( 3.174 4.314 -1.955) 5.701 13.929 ( 0.385 -2.035 -1.206) 2.397 13.999 ( -2.545 1.130 -3.205) 4.246 14.034 ( -1.341 -1.862 -2.738) 3.572 14.301 ( -13.032 8.686 13.899) 20.939 14.507 ( -12.059 -12.625 11.104) 20.691 15.012 ( 13.552 9.814 -6.051) 17.793 15.089 ( 15.680 2.475 -4.502) 16.500 16.022 ( -0.755 0.248 2.167) 2.308 16.035 ( -0.599 -1.012 2.249) 2.538 16.061 ( -0.329 3.990 -0.576) 4.045 16.127 ( 0.030 0.003 -0.820) 0.820 16.167 ( 2.395 -0.666 -1.310) 2.810 16.199 ( 2.909 -1.755 -0.986) 3.537 16.367 ( -3.811 0.600 -2.636) 4.673 16.380 ( -4.078 -0.707 -2.971) 5.094 17.645 ( -5.155 0.974 3.989) 6.590 17.724 ( -5.357 -6.983 3.144) 9.346 17.834 ( 0.847 3.109 -1.212) 3.443 17.906 ( 1.170 -4.274 -1.452) 4.663 17.997 ( -6.440 -0.081 2.374) 6.864 18.063 ( -5.581 -6.706 3.167) 9.281 18.238 ( 9.164 8.010 -3.213) 12.588 18.371 ( 8.528 -5.498 -4.204) 10.983 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -12.811 13.202 0.194) 18.397 1.853 ( -13.219 -15.267 7.846) 21.666 2.036 ( -3.401 4.408 -3.860) 6.775 2.083 ( 7.376 7.261 -0.523) 10.363 2.141 ( -10.192 4.403 -4.618) 12.024 2.219 ( -1.776 2.774 0.835) 3.398 2.288 ( -4.583 -0.577 2.837) 5.421 2.388 ( -3.931 -0.205 -5.843) 7.046 2.441 ( -4.945 -2.283 -5.670) 7.862 2.527 ( 3.456 -10.144 5.188) 11.906 2.582 ( 6.305 9.181 3.280) 11.611 2.685 ( -1.418 0.570 0.556) 1.627 2.758 ( -2.559 3.973 -4.822) 6.751 2.915 ( 3.730 -8.112 -5.572) 10.524 3.046 ( -0.771 10.377 5.201) 11.633 3.145 ( -4.274 5.689 2.849) 7.665 3.180 ( 0.554 0.768 -1.226) 1.549 3.236 ( -3.621 -1.802 5.894) 7.148 3.333 ( 0.576 4.483 1.030) 4.636 3.379 ( 0.737 0.573 -3.986) 4.093 3.528 ( 0.118 2.553 -0.342) 2.579 3.572 ( 0.898 6.477 3.610) 7.469 3.679 ( -0.683 -9.035 -2.168) 9.316 3.722 ( 7.294 -7.424 3.758) 11.065 3.769 ( 0.903 3.673 2.731) 4.665 3.885 ( -0.056 0.721 3.389) 3.465 3.940 ( 0.474 -1.126 -1.472) 1.913 3.993 ( 1.661 -0.060 2.364) 2.890 4.120 ( 6.938 3.361 -0.129) 7.711 4.199 ( 5.817 -1.678 0.182) 6.057 4.241 ( 2.937 0.258 -0.701) 3.030 4.302 ( 2.959 -2.645 1.658) 4.301 4.479 ( 0.095 3.177 -2.256) 3.897 4.507 ( 1.265 1.652 -3.028) 3.674 4.621 ( -0.100 3.165 -3.804) 4.949 4.643 ( -1.095 4.004 -6.230) 7.486 4.701 ( 0.265 1.795 3.067) 3.564 4.824 ( -0.259 2.675 -2.837) 3.907 4.850 ( 0.371 -5.532 2.299) 6.003 4.938 ( -0.913 -3.610 -2.073) 4.262 4.977 ( -2.440 2.436 4.499) 5.669 5.087 ( -1.040 -4.267 -0.011) 4.392 5.109 ( -3.011 1.111 -1.029) 3.370 5.160 ( -1.697 -2.493 -2.472) 3.900 5.251 ( -0.693 3.211 -0.597) 3.338 5.346 ( -1.502 1.492 -1.665) 2.693 5.352 ( -1.183 -0.969 -1.812) 2.371 5.463 ( -0.839 -3.855 -1.950) 4.401 5.664 ( 5.072 3.422 1.183) 6.232 5.684 ( -2.096 2.308 -0.160) 3.122 5.763 ( 5.151 -5.518 1.890) 7.782 5.788 ( -1.342 -7.458 -3.006) 8.152 6.269 ( 1.614 -1.032 -1.739) 2.587 6.284 ( 0.393 -2.276 -2.214) 3.199 6.464 ( -3.228 3.199 5.681) 7.275 6.513 ( -3.242 -2.237 6.256) 7.392 6.671 ( -0.994 -0.199 -1.372) 1.705 6.703 ( -2.607 -3.386 1.555) 4.547 7.051 ( 2.245 2.962 0.261) 3.726 7.056 ( 2.162 1.948 -2.034) 3.551 7.106 ( 2.567 1.697 -6.283) 6.996 7.135 ( 1.597 -2.698 -2.252) 3.860 7.221 ( 3.130 0.348 1.389) 3.442 7.282 ( 0.126 -3.637 1.072) 3.794 7.318 ( -1.089 3.751 5.057) 6.389 7.424 ( 0.298 -7.020 0.621) 7.054 7.716 ( 1.431 3.783 -2.018) 4.520 7.753 ( 3.300 0.239 0.506) 3.347 7.980 ( -0.619 4.798 0.818) 4.906 8.034 ( 1.573 0.736 0.107) 1.740 8.148 ( -1.387 -0.243 4.225) 4.453 8.180 ( -3.070 -2.433 -0.620) 3.966 8.272 ( -8.190 2.603 0.443) 8.605 8.345 ( -8.225 -3.587 1.918) 9.176 8.466 ( 0.013 2.642 0.111) 2.645 8.492 ( 0.403 0.285 -0.121) 0.508 8.654 ( -0.868 1.349 0.575) 1.704 8.694 ( 0.165 -2.384 0.370) 2.418 8.971 ( 6.245 3.218 -2.564) 7.479 9.007 ( 6.491 -0.217 -1.856) 6.755 12.456 ( -1.525 5.891 1.524) 6.273 12.583 ( -1.312 -7.120 1.098) 7.323 12.685 ( 0.405 5.914 -3.661) 6.967 12.795 ( 3.882 -5.352 -2.679) 7.134 13.820 ( -4.984 2.243 -2.502) 6.010 13.863 ( -5.180 -2.050 -1.846) 5.869 13.973 ( 4.008 4.146 0.574) 5.796 14.045 ( 3.750 -2.535 -0.204) 4.531 14.170 ( -12.848 6.084 10.020) 17.392 14.336 ( -14.361 -11.154 5.001) 18.859 15.316 ( 21.608 13.940 -5.613) 26.319 15.438 ( 22.615 2.529 -4.431) 23.183 16.008 ( -2.736 1.414 -0.962) 3.226 16.027 ( -1.887 -0.691 -1.558) 2.542 16.047 ( -1.054 0.047 2.479) 2.694 16.083 ( -2.339 -1.988 -0.676) 3.144 16.226 ( -1.775 0.938 -0.861) 2.185 16.246 ( 2.833 0.079 3.436) 4.454 16.259 ( -1.558 2.029 -0.735) 2.661 16.310 ( 2.802 -1.834 1.682) 3.748 17.480 ( -16.653 -2.216 2.301) 16.956 17.548 ( -15.758 -9.330 1.534) 18.377 17.841 ( 1.140 2.934 -0.896) 3.273 17.890 ( -1.790 0.709 -1.114) 2.225 17.919 ( -1.231 -2.018 -0.327) 2.386 17.989 ( -3.530 -6.425 0.886) 7.384 18.436 ( 11.766 5.699 -0.592) 13.087 18.532 ( 9.997 -4.048 -2.182) 11.004 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -8.991 11.365 1.527) 14.572 1.665 ( -15.283 -19.356 9.241) 26.337 1.830 ( -5.214 6.955 -3.595) 9.407 1.956 ( -6.788 -3.892 -2.102) 8.102 1.993 ( -5.195 4.416 -3.256) 7.556 2.127 ( -7.215 -7.169 2.265) 10.420 2.291 ( 4.726 9.608 -0.778) 10.736 2.350 ( 1.382 2.551 -2.371) 3.747 2.480 ( 1.554 2.717 3.543) 4.727 2.541 ( -4.173 1.200 -5.155) 6.740 2.632 ( -1.023 -2.513 -0.927) 2.867 2.703 ( 5.032 -3.851 0.117) 6.338 2.799 ( 6.078 5.070 3.927) 8.835 2.940 ( 1.595 -2.751 -1.794) 3.651 3.034 ( -3.145 7.851 1.768) 8.640 3.090 ( -3.870 4.656 -0.303) 6.062 3.167 ( -1.769 -2.163 -2.091) 3.490 3.173 ( -2.208 -2.271 -0.466) 3.201 3.352 ( 0.132 3.998 -0.442) 4.024 3.411 ( 0.972 -2.601 0.067) 2.777 3.523 ( 0.558 9.494 -3.379) 10.093 3.662 ( 1.359 -4.499 0.876) 4.781 3.694 ( 0.491 3.079 12.181) 12.574 3.737 ( -2.621 8.376 -0.980) 8.831 3.845 ( 2.927 -5.322 2.251) 6.478 3.919 ( -1.048 -7.722 1.998) 8.045 3.938 ( 2.868 5.427 -1.003) 6.220 4.054 ( 2.635 -3.834 2.088) 5.099 4.256 ( 6.135 2.135 -2.772) 7.062 4.285 ( 3.448 -0.163 -1.339) 3.702 4.336 ( 5.890 2.931 2.333) 6.980 4.391 ( 2.551 -2.030 1.621) 3.641 4.460 ( 1.113 5.122 -3.068) 6.074 4.501 ( -2.791 1.122 -2.926) 4.196 4.562 ( 1.299 5.237 -6.939) 8.790 4.614 ( 3.709 1.049 -1.204) 4.038 4.701 ( -0.752 2.386 0.051) 2.502 4.797 ( -0.790 0.915 -1.564) 1.976 4.857 ( -2.007 -3.672 0.473) 4.212 4.895 ( -1.310 -3.194 1.661) 3.831 4.957 ( -3.405 1.547 0.117) 3.742 5.006 ( -0.961 -1.602 -0.945) 2.094 5.082 ( -2.239 -3.308 3.301) 5.182 5.092 ( -3.937 -3.147 0.043) 5.040 5.289 ( 2.409 -0.263 -0.510) 2.476 5.338 ( 1.988 -5.135 -1.592) 5.732 5.390 ( 4.376 5.422 3.415) 7.759 5.462 ( 1.459 0.077 3.081) 3.410 5.592 ( -5.317 1.310 -3.163) 6.324 5.681 ( -1.595 -5.758 -3.435) 6.892 5.791 ( 3.219 2.619 -0.720) 4.212 5.866 ( 2.913 -3.558 1.519) 4.843 6.246 ( -0.308 -0.989 -1.715) 2.004 6.264 ( 0.528 -2.960 -1.814) 3.512 6.501 ( -0.387 3.574 5.288) 6.394 6.550 ( 0.217 -1.822 5.020) 5.345 6.624 ( -3.344 -1.050 -1.053) 3.660 6.662 ( -4.386 -4.717 2.855) 7.046 6.991 ( -2.591 2.265 -5.476) 6.468 7.032 ( -2.960 -0.859 -1.690) 3.515 7.122 ( 4.480 2.859 -4.811) 7.169 7.147 ( 3.647 2.205 -5.144) 6.681 7.278 ( 1.830 0.826 -0.967) 2.229 7.316 ( 1.448 -4.913 2.665) 5.774 7.360 ( 0.323 1.979 2.669) 3.338 7.444 ( 1.658 -5.064 -0.238) 5.333 7.710 ( 0.756 4.845 -1.361) 5.089 7.797 ( 1.864 -3.898 -0.760) 4.387 7.984 ( -0.294 6.262 1.131) 6.370 8.068 ( -6.592 4.241 -2.291) 8.166 8.091 ( 2.300 0.771 2.083) 3.197 8.150 ( -2.457 -1.468 3.473) 4.500 8.182 ( -8.195 -3.589 1.219) 9.029 8.210 ( -0.137 -4.519 1.370) 4.724 8.497 ( 0.483 2.007 3.026) 3.663 8.521 ( 0.215 -0.412 3.302) 3.335 8.656 ( 0.387 2.928 0.367) 2.976 8.707 ( 0.264 -2.006 0.900) 2.214 9.037 ( 4.157 3.952 -3.566) 6.754 9.080 ( 4.020 -0.153 -3.281) 5.191 12.442 ( -1.372 5.968 1.369) 6.275 12.570 ( -1.203 -7.123 1.357) 7.351 12.654 ( 0.346 9.178 -3.775) 9.930 12.833 ( 3.425 -9.093 -4.086) 10.541 13.730 ( -2.228 1.575 -0.682) 2.812 13.769 ( -3.238 -2.272 -0.134) 3.958 14.014 ( -5.227 3.259 0.390) 6.173 14.094 ( 1.904 -0.077 0.807) 2.069 14.111 ( -11.530 -2.176 8.856) 14.700 14.169 ( 1.726 -3.892 9.586) 10.489 15.586 ( 16.166 17.746 -13.504) 27.543 15.718 ( 15.431 6.744 -12.726) 21.108 15.932 ( -2.412 -0.560 -0.275) 2.492 15.969 ( -0.564 -3.387 -2.739) 4.392 16.053 ( -0.522 0.484 1.340) 1.517 16.067 ( 0.163 -0.619 0.033) 0.641 16.195 ( -0.056 0.613 -1.370) 1.502 16.213 ( -0.102 -0.739 -1.532) 1.704 16.409 ( 2.879 1.041 4.246) 5.235 16.419 ( 2.610 0.087 1.787) 3.164 17.161 ( -18.513 -3.705 10.017) 21.373 17.277 ( -14.437 -14.619 9.991) 22.847 17.855 ( 1.188 1.733 -1.127) 2.385 17.868 ( 0.048 2.663 0.485) 2.707 17.902 ( -0.534 -2.107 -0.788) 2.312 17.958 ( -1.365 -5.514 1.750) 5.944 18.599 ( 7.268 2.773 -3.608) 8.575 18.638 ( 4.662 -1.202 -5.283) 7.147 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 3.009 5.371 2.707) 6.725 1.541 ( -7.882 -17.701 12.130) 22.860 1.888 ( 7.503 3.524 8.283) 11.718 1.906 ( 4.093 3.625 -3.672) 6.586 1.978 ( 1.457 3.885 3.594) 5.489 2.110 ( 1.364 -7.131 6.606) 9.816 2.248 ( -2.567 6.497 -3.480) 7.805 2.393 ( 2.186 2.788 -0.763) 3.624 2.427 ( -2.972 -4.126 -4.977) 7.115 2.446 ( -0.159 1.231 -4.282) 4.458 2.715 ( 5.597 3.593 4.231) 7.883 2.780 ( 1.491 1.594 -0.836) 2.337 2.862 ( -1.833 6.077 -4.177) 7.599 2.910 ( -3.431 3.659 3.395) 6.057 3.010 ( -2.187 -2.731 -1.457) 3.790 3.052 ( 2.752 -2.232 -1.761) 3.956 3.079 ( -4.005 -0.175 -2.989) 5.001 3.127 ( -0.357 -2.635 -5.774) 6.357 3.335 ( -0.141 2.810 0.088) 2.815 3.378 ( -0.053 -0.525 -2.573) 2.627 3.498 ( -0.960 10.805 -0.078) 10.848 3.633 ( -2.008 -3.624 -1.898) 4.558 3.656 ( -5.944 5.849 2.489) 8.702 3.826 ( -1.491 -5.478 1.913) 5.991 3.894 ( -0.158 -0.576 5.842) 5.872 3.944 ( 2.752 2.616 5.339) 6.552 4.019 ( 2.136 4.195 3.856) 6.085 4.133 ( 0.985 -4.076 3.945) 5.757 4.213 ( -1.413 4.707 -6.250) 7.951 4.312 ( -0.751 -3.887 -3.891) 5.551 4.357 ( -3.355 1.177 -4.955) 6.099 4.372 ( -4.646 0.325 -1.557) 4.911 4.461 ( 3.218 3.559 -1.636) 5.069 4.470 ( 3.413 2.067 -1.721) 4.346 4.539 ( 1.932 3.633 -5.184) 6.619 4.628 ( 0.995 -3.327 -5.591) 6.582 4.736 ( 0.010 2.099 -2.188) 3.032 4.792 ( 2.817 0.367 4.162) 5.039 4.825 ( 0.505 3.889 -0.438) 3.946 4.937 ( -0.788 2.193 3.153) 3.921 4.942 ( 0.993 -4.833 4.821) 6.898 5.020 ( 1.600 -2.581 3.764) 4.836 5.066 ( 0.722 -3.222 1.310) 3.552 5.077 ( -1.765 -3.138 3.358) 4.923 5.314 ( -0.387 1.294 -1.756) 2.215 5.363 ( 0.490 -3.557 -0.888) 3.699 5.414 ( -2.173 4.175 -0.732) 4.763 5.490 ( -1.701 -2.036 1.517) 3.056 5.569 ( 5.164 3.796 3.581) 7.341 5.704 ( 3.480 -8.689 1.130) 9.428 5.810 ( 0.557 5.098 -1.777) 5.427 5.894 ( -0.992 -3.421 0.588) 3.610 6.255 ( 1.849 -0.401 0.458) 1.947 6.273 ( 1.538 -2.035 0.738) 2.655 6.459 ( -5.869 1.673 -3.120) 6.854 6.510 ( -6.061 -3.220 -2.172) 7.198 6.620 ( 2.011 -0.771 3.046) 3.731 6.647 ( 0.149 -2.822 4.322) 5.164 6.932 ( 2.139 1.681 -4.800) 5.518 6.968 ( 0.710 -1.731 -6.056) 6.338 7.133 ( -1.003 3.092 -0.820) 3.353 7.143 ( 1.440 1.328 -2.626) 3.276 7.289 ( 0.760 4.309 -2.753) 5.170 7.355 ( -1.517 -2.628 2.969) 4.245 7.368 ( 0.213 -1.691 -0.338) 1.738 7.449 ( -0.760 -6.279 -2.625) 6.848 7.723 ( 1.402 4.399 -1.260) 4.786 7.798 ( 0.343 -2.897 -3.410) 4.488 7.984 ( -1.805 2.729 1.889) 3.778 8.000 ( 1.053 1.409 2.097) 2.737 8.099 ( -1.532 -0.033 2.477) 2.913 8.140 ( 0.918 -0.326 1.380) 1.689 8.161 ( -0.382 0.138 4.128) 4.148 8.214 ( -0.558 -2.756 0.226) 2.821 8.526 ( -0.059 1.324 1.976) 2.380 8.544 ( -1.236 -0.437 2.901) 3.183 8.668 ( -0.610 2.911 2.167) 3.680 8.713 ( -1.036 -1.606 1.625) 2.509 9.055 ( 1.601 3.809 -3.947) 5.714 9.091 ( 1.164 0.262 -4.306) 4.469 12.436 ( -0.651 6.216 1.390) 6.403 12.570 ( -0.518 -7.528 1.944) 7.793 12.630 ( 1.463 9.932 -4.135) 10.858 12.832 ( 1.547 -10.535 -5.544) 12.005 13.730 ( 1.535 0.832 1.328) 2.194 13.757 ( 1.684 -1.896 1.687) 3.045 13.932 ( -3.555 -0.108 -1.695) 3.939 13.943 ( -4.144 -1.419 -1.200) 4.541 14.225 ( -0.920 5.473 14.316) 15.354 14.338 ( 1.145 -6.103 16.614) 17.737 15.626 ( 5.613 20.098 -21.050) 29.640 15.771 ( 6.791 9.783 -20.133) 23.391 15.941 ( 2.167 -1.370 1.707) 3.080 15.969 ( 2.508 -2.885 -1.280) 4.031 16.048 ( -2.154 0.481 1.932) 2.933 16.074 ( 0.642 -1.628 -0.420) 1.800 16.168 ( -1.866 0.780 -2.266) 3.037 16.208 ( 0.848 -1.529 -1.259) 2.154 16.254 ( -12.153 -0.641 -6.030) 13.582 16.321 ( -5.605 -5.012 -6.293) 9.805 17.215 ( 2.433 -1.458 24.087) 24.253 17.344 ( 1.753 -13.710 21.462) 25.528 17.860 ( 0.607 0.524 -1.782) 1.954 17.877 ( 0.415 -0.943 -1.639) 1.936 17.903 ( 0.560 1.866 3.698) 4.180 17.971 ( -0.162 -4.763 3.891) 6.152 18.592 ( -1.394 2.232 -9.812) 10.159 18.620 ( 1.492 -0.557 -8.617) 8.762 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 11.186 0.311 3.220) 11.645 1.603 ( 0.615 -12.374 12.113) 17.327 1.915 ( 2.859 16.503 -12.497) 20.897 2.048 ( 2.596 3.213 1.294) 4.329 2.134 ( 5.540 -0.503 5.951) 8.146 2.233 ( 0.116 2.752 3.080) 4.132 2.242 ( 6.865 -7.599 -2.258) 10.487 2.346 ( -2.681 -0.591 1.407) 3.085 2.445 ( 5.613 3.255 1.969) 6.780 2.504 ( 6.987 -1.654 3.886) 8.164 2.631 ( -4.934 7.406 -10.346) 13.647 2.777 ( -3.428 2.962 -4.937) 6.701 2.835 ( 0.701 4.449 4.833) 6.606 2.906 ( 0.634 0.900 4.507) 4.639 2.973 ( -1.702 -5.507 -5.451) 7.933 2.981 ( 1.069 -3.319 -2.791) 4.466 3.070 ( 1.904 -0.103 -2.547) 3.181 3.093 ( 2.470 0.399 0.188) 2.509 3.383 ( 2.554 4.723 -0.356) 5.381 3.429 ( 1.907 5.655 3.160) 6.753 3.503 ( 1.899 3.921 3.341) 5.490 3.562 ( -2.541 -3.490 -2.714) 5.100 3.596 ( -3.196 -0.181 4.282) 5.347 3.720 ( -6.013 -8.114 -4.122) 10.908 3.950 ( -1.201 4.890 2.858) 5.790 3.995 ( -6.104 4.295 1.513) 7.615 4.012 ( -3.238 3.603 3.358) 5.895 4.098 ( -4.318 -2.133 3.134) 5.746 4.187 ( -5.422 2.846 -0.071) 6.124 4.251 ( -1.899 2.489 -2.351) 3.915 4.269 ( -1.005 0.284 -1.839) 2.115 4.288 ( 0.526 -5.186 1.513) 5.428 4.457 ( -0.160 1.914 -3.147) 3.687 4.520 ( 1.282 -2.266 -2.986) 3.961 4.531 ( 4.447 0.734 -4.728) 6.532 4.565 ( 1.624 -3.235 -8.865) 9.576 4.761 ( 3.161 5.764 2.005) 6.873 4.849 ( 0.359 -1.788 0.362) 1.859 4.870 ( 2.058 4.016 2.459) 5.139 4.914 ( -3.908 5.332 1.488) 6.777 4.987 ( -1.656 -6.355 2.758) 7.123 5.012 ( -0.724 -2.794 -1.612) 3.306 5.139 ( 5.196 3.800 6.004) 8.803 5.198 ( 3.909 -1.632 2.194) 4.770 5.272 ( -1.041 -0.283 0.667) 1.268 5.324 ( 1.416 -4.356 -0.000) 4.580 5.433 ( 0.466 3.658 0.956) 3.810 5.523 ( 0.886 -4.327 0.707) 4.473 5.643 ( -0.481 2.914 -0.398) 2.980 5.678 ( -1.646 0.391 -4.789) 5.079 5.817 ( -2.614 -1.810 1.497) 3.514 5.848 ( -2.182 -4.246 0.250) 4.780 6.299 ( 0.028 1.136 -1.037) 1.539 6.312 ( -3.058 -0.943 -4.205) 5.284 6.375 ( 1.172 -1.295 3.416) 3.837 6.396 ( 2.182 -3.454 2.731) 4.914 6.682 ( 1.246 -0.378 1.673) 2.120 6.700 ( 1.555 -1.988 2.299) 3.414 6.947 ( 3.313 3.710 -4.621) 6.789 6.970 ( 5.750 0.088 -4.756) 7.463 7.112 ( -1.452 0.402 0.722) 1.670 7.137 ( 0.385 -0.670 -1.555) 1.736 7.219 ( -4.349 1.205 -3.483) 5.701 7.284 ( -7.846 -5.053 -2.274) 9.605 7.354 ( -0.621 1.434 0.949) 1.829 7.420 ( 0.609 -5.032 -0.167) 5.072 7.714 ( -0.033 2.893 -3.460) 4.510 7.755 ( -1.343 -0.830 -3.937) 4.242 8.015 ( 1.276 3.147 3.387) 4.796 8.055 ( 1.155 -0.962 1.683) 2.257 8.124 ( 0.228 3.521 3.287) 4.822 8.178 ( 1.720 -0.937 1.186) 2.289 8.218 ( 2.458 0.250 2.330) 3.396 8.232 ( 2.281 -1.645 3.756) 4.692 8.537 ( -0.107 1.337 0.885) 1.607 8.555 ( 1.131 -0.318 1.718) 2.081 8.671 ( -2.519 1.599 4.043) 5.025 8.698 ( -2.309 -1.445 1.758) 3.242 9.013 ( -1.680 3.020 -4.739) 5.866 9.037 ( -1.925 0.630 -5.088) 5.476 12.445 ( -0.092 6.501 1.558) 6.686 12.585 ( -0.319 -7.826 2.102) 8.110 12.632 ( 3.175 7.922 -4.041) 9.443 12.796 ( 0.739 -8.737 -5.235) 10.212 13.799 ( 3.872 2.892 -0.124) 4.834 13.853 ( 6.350 -1.563 -0.208) 6.543 13.881 ( 0.750 0.055 1.989) 2.127 13.914 ( 1.144 -2.137 -0.839) 2.565 14.327 ( -5.509 7.728 17.980) 20.331 14.497 ( -3.442 -9.835 18.747) 21.448 15.361 ( -7.377 15.229 -24.710) 29.949 15.479 ( -9.562 5.127 -27.087) 29.179 15.999 ( -0.232 0.564 2.581) 2.652 16.020 ( -2.068 -1.636 2.982) 3.981 16.038 ( 2.733 0.337 2.783) 3.915 16.075 ( 0.813 -1.141 0.877) 1.653 16.120 ( 1.215 0.717 -3.084) 3.391 16.151 ( 3.355 -2.567 -1.188) 4.388 16.257 ( 4.313 -0.414 1.592) 4.616 16.269 ( 2.627 -1.944 -0.716) 3.346 17.494 ( 4.030 -0.098 15.295) 15.817 17.589 ( 3.536 -9.376 13.890) 17.128 17.841 ( -0.015 1.267 -2.069) 2.426 17.874 ( 1.608 -1.960 -2.886) 3.842 17.977 ( 0.390 0.367 8.411) 8.428 18.028 ( 0.315 -4.691 7.036) 8.462 18.417 ( -4.657 5.163 -12.637) 14.424 18.502 ( -2.221 -3.408 -12.231) 12.890 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 8.793 0.695 2.733) 9.234 1.744 ( 3.784 -1.524 5.347) 6.726 1.855 ( 4.274 12.744 -2.419) 13.658 2.020 ( -5.137 5.317 -1.644) 7.574 2.148 ( -0.046 -4.061 -3.961) 5.673 2.217 ( 0.866 11.083 -6.845) 13.055 2.281 ( 1.049 -0.376 2.761) 2.978 2.465 ( -0.409 -5.715 1.987) 6.064 2.480 ( 6.866 -2.327 -1.793) 7.468 2.602 ( 0.462 -0.297 -4.538) 4.571 2.669 ( 4.117 1.779 4.571) 6.404 2.735 ( 4.743 -4.082 0.448) 6.273 2.841 ( -3.961 6.354 5.305) 9.176 2.902 ( -0.220 2.752 -2.935) 4.030 2.990 ( 1.818 -1.903 3.188) 4.134 3.014 ( 5.241 -2.220 -6.907) 8.950 3.143 ( 7.845 2.430 2.498) 8.585 3.218 ( 6.669 -0.156 2.790) 7.231 3.374 ( -3.410 7.243 -0.631) 8.030 3.403 ( -2.984 7.687 0.594) 8.267 3.475 ( -2.322 -0.757 -2.902) 3.793 3.577 ( -3.921 -7.315 -1.903) 8.515 3.620 ( -2.909 -0.719 9.209) 9.684 3.671 ( 5.852 -4.812 5.352) 9.276 3.857 ( -9.674 4.072 -1.339) 10.581 3.866 ( -5.325 3.004 -0.737) 6.158 3.973 ( -1.680 -2.644 0.674) 3.204 3.999 ( -7.715 -4.739 -0.929) 9.102 4.087 ( -3.934 8.440 1.978) 9.519 4.219 ( -2.152 5.999 -0.832) 6.428 4.244 ( -0.833 -4.345 -0.392) 4.442 4.313 ( -2.658 -4.066 0.973) 4.954 4.419 ( 3.661 4.098 -4.932) 7.384 4.522 ( 3.726 -4.835 -2.494) 6.594 4.557 ( 2.219 0.459 -0.779) 2.396 4.586 ( 3.208 -1.897 -1.508) 4.020 4.827 ( -1.078 2.654 -0.697) 2.949 4.854 ( -0.664 -0.533 -0.543) 1.010 4.867 ( 0.493 6.228 2.301) 6.657 4.921 ( 1.776 3.708 0.549) 4.148 4.958 ( -0.580 -3.116 1.278) 3.418 5.029 ( 2.520 -4.672 -1.581) 5.539 5.208 ( -0.895 3.029 -0.131) 3.162 5.271 ( 2.660 -2.375 3.030) 4.679 5.282 ( -0.023 2.310 0.680) 2.408 5.351 ( -0.873 -2.172 -4.805) 5.345 5.439 ( -0.027 6.679 -0.957) 6.747 5.481 ( -2.261 1.827 -3.328) 4.419 5.596 ( 2.172 -5.067 0.185) 5.516 5.655 ( -1.713 -8.267 -0.352) 8.450 5.751 ( -1.606 3.537 -0.164) 3.888 5.847 ( -0.540 -4.797 0.936) 4.917 6.217 ( -2.185 -0.621 -2.285) 3.222 6.244 ( -0.397 -3.421 -2.554) 4.288 6.478 ( 2.757 3.455 6.074) 7.512 6.536 ( 1.115 -2.663 7.209) 7.766 6.708 ( 1.148 -0.091 -0.080) 1.154 6.739 ( 0.541 -3.098 1.524) 3.494 6.973 ( 1.483 5.340 -1.872) 5.849 7.016 ( 4.499 2.658 -5.862) 7.853 7.056 ( -4.374 -1.738 -1.602) 4.971 7.127 ( -1.832 -0.273 0.770) 2.006 7.144 ( 2.727 -5.045 -4.226) 7.123 7.150 ( -1.231 -2.378 -0.623) 2.749 7.372 ( -0.337 1.872 3.624) 4.093 7.439 ( 0.558 -4.983 0.937) 5.101 7.666 ( -1.280 1.678 -2.068) 2.955 7.681 ( -1.857 0.168 -2.961) 3.499 8.045 ( -0.379 2.427 -0.626) 2.535 8.066 ( -0.816 0.839 1.200) 1.676 8.152 ( -0.703 4.249 2.763) 5.117 8.215 ( 0.833 -1.670 1.603) 2.460 8.304 ( 3.630 1.295 2.057) 4.369 8.326 ( 1.626 -1.196 4.710) 5.124 8.549 ( -0.906 3.929 1.935) 4.472 8.619 ( 1.625 -2.942 1.957) 3.889 8.654 ( -1.124 1.277 1.909) 2.558 8.686 ( 0.973 -1.933 0.299) 2.184 8.904 ( -3.770 3.121 -5.399) 7.287 8.939 ( -2.760 -0.198 -4.360) 5.164 12.458 ( -0.284 6.363 1.716) 6.596 12.593 ( -0.618 -7.053 1.421) 7.221 12.666 ( 4.181 4.429 -3.567) 7.059 12.767 ( 0.969 -5.394 -3.822) 6.682 13.828 ( 3.104 4.483 -3.720) 6.600 13.910 ( 2.869 -3.492 -3.097) 5.479 13.980 ( 4.655 1.806 3.027) 5.839 14.018 ( 4.402 -2.062 2.861) 5.641 14.360 ( -9.864 8.721 17.462) 21.870 14.560 ( -8.209 -11.847 15.943) 21.492 15.027 ( -3.017 9.652 -16.709) 19.531 15.093 ( -4.408 3.595 -17.975) 18.853 16.011 ( -0.585 0.178 2.280) 2.360 16.023 ( -0.696 -1.065 2.328) 2.653 16.064 ( 0.512 4.032 -0.559) 4.103 16.110 ( 2.060 2.543 -1.653) 3.667 16.144 ( 2.671 -2.286 -1.314) 3.753 16.179 ( 1.701 -3.848 -2.810) 5.059 16.368 ( 3.963 0.635 2.626) 4.796 16.385 ( 4.029 -1.099 2.807) 5.032 17.635 ( 0.131 1.241 6.758) 6.872 17.719 ( 0.433 -6.927 5.830) 9.064 17.830 ( 0.902 2.314 -1.730) 3.027 17.885 ( 2.581 -3.105 -2.496) 4.747 18.042 ( -3.204 -0.961 7.840) 8.523 18.090 ( -2.345 -5.666 7.210) 9.465 18.232 ( -1.189 7.455 -10.264) 12.742 18.358 ( 0.533 -5.166 -10.307) 11.542 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 9.922 0.000 28.444) 30.125 1.261 ( -11.307 0.000 31.192) 33.178 1.500 ( 4.287 0.000 28.120) 28.445 1.597 ( -6.881 0.000 -15.949) 17.370 1.775 ( -9.100 0.000 -4.563) 10.179 1.798 ( 10.620 0.000 -23.054) 25.383 2.098 ( 5.563 0.000 -1.986) 5.906 2.124 ( -9.951 0.000 -1.376) 10.046 2.254 ( 6.160 0.000 7.897) 10.016 2.345 ( -2.514 0.000 6.084) 6.583 2.368 ( -5.230 0.000 -1.718) 5.505 2.437 ( -0.752 0.000 -11.223) 11.248 2.543 ( -2.733 0.000 -0.637) 2.806 2.680 ( 5.566 0.000 -8.762) 10.381 2.739 ( 1.166 0.000 5.659) 5.778 2.869 ( 4.761 0.000 -2.632) 5.440 2.966 ( 1.352 0.000 -2.363) 2.722 3.102 ( -2.518 0.000 -9.093) 9.435 3.271 ( 5.982 0.000 9.853) 11.527 3.440 ( -0.162 0.000 -1.946) 1.953 3.479 ( 0.349 0.000 0.743) 0.821 3.488 ( -0.720 0.000 -6.466) 6.506 3.585 ( -5.203 0.000 1.784) 5.500 3.674 ( -1.931 0.000 -7.752) 7.989 3.840 ( -3.907 0.000 0.433) 3.931 3.875 ( 3.774 0.000 -2.561) 4.561 3.957 ( 8.605 0.000 8.255) 11.924 4.134 ( -0.985 0.000 -7.930) 7.991 4.147 ( -1.152 0.000 3.779) 3.951 4.188 ( 3.177 0.000 -0.064) 3.178 4.311 ( -2.947 0.000 0.815) 3.057 4.376 ( 0.518 0.000 -5.417) 5.442 4.406 ( -1.208 0.000 5.168) 5.308 4.435 ( -3.008 0.000 3.013) 4.258 4.485 ( 1.992 0.000 -1.398) 2.434 4.533 ( -7.341 0.000 -4.024) 8.371 4.677 ( 4.031 0.000 1.849) 4.435 4.720 ( -4.704 0.000 -1.168) 4.847 4.764 ( -0.048 0.000 2.410) 2.410 4.839 ( 3.934 0.000 -5.291) 6.594 5.053 ( 0.693 0.000 1.759) 1.890 5.102 ( -2.729 0.000 -3.336) 4.310 5.291 ( -2.528 0.000 5.876) 6.397 5.351 ( 8.570 0.000 0.904) 8.618 5.476 ( 0.626 0.000 4.008) 4.056 5.507 ( -4.170 0.000 1.219) 4.345 5.540 ( 1.897 0.000 -1.542) 2.444 5.561 ( -3.226 0.000 -3.472) 4.740 5.820 ( 8.615 0.000 3.168) 9.179 5.825 ( -4.180 0.000 2.868) 5.069 6.112 ( 3.524 0.000 3.670) 5.088 6.146 ( -0.959 0.000 -0.181) 0.976 6.220 ( -7.067 0.000 5.883) 9.195 6.340 ( 0.165 0.000 -1.954) 1.961 6.565 ( -2.515 0.000 0.751) 2.625 6.718 ( 14.653 0.000 -9.935) 17.704 7.015 ( -11.111 0.000 -0.427) 11.119 7.017 ( 10.846 0.000 0.492) 10.857 7.098 ( -12.629 0.000 -0.613) 12.644 7.103 ( 3.279 0.000 -1.055) 3.445 7.113 ( 2.310 0.000 1.609) 2.815 7.163 ( -2.885 0.000 -3.097) 4.233 7.240 ( -1.892 0.000 4.902) 5.254 7.327 ( 5.668 0.000 -3.788) 6.817 7.499 ( -2.269 0.000 4.755) 5.269 7.554 ( -3.359 0.000 5.963) 6.844 7.576 ( 2.746 0.000 -3.796) 4.685 7.636 ( 2.659 0.000 -3.021) 4.025 7.771 ( 4.518 0.000 0.155) 4.520 7.824 ( -7.068 0.000 -4.579) 8.421 7.914 ( 3.719 0.000 0.536) 3.757 7.942 ( -2.256 0.000 -2.651) 3.481 8.268 ( -5.882 0.000 4.313) 7.294 8.314 ( 4.995 0.000 -0.783) 5.056 8.353 ( 1.256 0.000 5.472) 5.614 8.462 ( -1.106 0.000 -5.733) 5.839 8.709 ( 1.999 0.000 6.882) 7.166 8.834 ( -1.992 0.000 -6.109) 6.425 8.866 ( 1.757 0.000 3.036) 3.508 8.918 ( -2.788 0.000 -2.461) 3.719 11.988 ( -0.253 0.000 0.117) 0.279 11.991 ( 0.259 0.000 -0.136) 0.292 12.979 ( 5.011 0.000 5.066) 7.126 13.099 ( -4.411 0.000 -7.703) 8.877 13.693 ( 1.800 0.000 6.608) 6.849 13.821 ( -1.672 0.000 -6.483) 6.695 13.885 ( -0.121 0.000 1.162) 1.169 13.904 ( 0.359 0.000 -0.973) 1.037 13.952 ( -1.112 0.000 1.923) 2.221 14.005 ( 0.571 0.000 -3.136) 3.188 14.830 ( 2.094 0.000 27.174) 27.255 15.363 ( 1.317 0.000 -29.078) 29.108 15.994 ( 1.533 0.000 4.018) 4.300 16.035 ( 3.049 0.000 4.130) 5.134 16.052 ( -0.724 0.000 -1.270) 1.462 16.056 ( -0.260 0.000 1.329) 1.354 16.137 ( 3.199 0.000 -1.369) 3.479 16.148 ( -7.780 0.000 -1.465) 7.917 16.202 ( 3.211 0.000 -1.653) 3.612 16.209 ( -8.472 0.000 -3.857) 9.308 17.617 ( -0.620 0.000 7.538) 7.563 17.704 ( -0.467 0.000 -3.169) 3.203 18.006 ( 9.205 0.000 15.071) 17.660 18.145 ( -2.552 0.000 2.378) 3.489 18.247 ( -1.559 0.000 -3.080) 3.452 18.343 ( -2.702 0.000 -13.908) 14.168 18.762 ( 3.663 0.000 3.809) 5.284 18.826 ( -1.961 0.000 -2.841) 3.452 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -8.032 0.000 -26.540) 27.729 1.399 ( -5.964 0.000 27.646) 28.282 1.464 ( 0.499 0.000 25.118) 25.123 1.656 ( 0.848 0.000 -5.509) 5.574 1.719 ( 8.323 0.000 -13.642) 15.980 1.938 ( 11.983 0.000 -2.210) 12.185 1.967 ( -6.260 0.000 3.928) 7.391 2.269 ( -7.608 0.000 3.333) 8.306 2.270 ( 6.063 0.000 -2.825) 6.689 2.287 ( -2.145 0.000 4.150) 4.672 2.386 ( 5.143 0.000 -3.732) 6.354 2.499 ( 10.345 0.000 2.033) 10.543 2.577 ( 5.436 0.000 5.929) 8.044 2.683 ( 4.303 0.000 -2.962) 5.223 2.787 ( -1.249 0.000 2.546) 2.836 2.837 ( 4.014 0.000 -14.810) 15.345 2.971 ( -2.008 0.000 -6.091) 6.414 3.051 ( 0.559 0.000 7.408) 7.429 3.252 ( -7.926 0.000 -9.552) 12.412 3.380 ( -6.586 0.000 -0.111) 6.587 3.453 ( 1.399 0.000 0.069) 1.400 3.468 ( 5.610 0.000 3.059) 6.389 3.679 ( 5.157 0.000 10.210) 11.438 3.701 ( -1.729 0.000 -1.788) 2.487 3.789 ( -0.494 0.000 2.513) 2.561 3.887 ( -2.634 0.000 -10.963) 11.275 3.901 ( -1.582 0.000 -1.236) 2.007 3.967 ( -8.269 0.000 -0.690) 8.297 4.205 ( -1.134 0.000 -5.670) 5.782 4.206 ( 1.407 0.000 3.825) 4.075 4.312 ( -0.370 0.000 4.455) 4.470 4.367 ( 1.967 0.000 -2.186) 2.940 4.400 ( -5.039 0.000 0.952) 5.128 4.443 ( 2.474 0.000 2.225) 3.327 4.476 ( -2.849 0.000 -0.367) 2.872 4.546 ( 1.642 0.000 12.170) 12.280 4.627 ( -1.995 0.000 -2.506) 3.203 4.767 ( 1.141 0.000 1.802) 2.132 4.786 ( 1.483 0.000 -0.221) 1.499 4.851 ( 5.675 0.000 -2.710) 6.289 5.042 ( -3.332 0.000 -2.579) 4.213 5.133 ( 5.014 0.000 4.855) 6.979 5.198 ( -7.718 0.000 0.262) 7.722 5.364 ( -1.925 0.000 -6.492) 6.771 5.371 ( -9.930 0.000 -1.570) 10.054 5.532 ( -4.641 0.000 -0.377) 4.656 5.560 ( 3.345 0.000 1.496) 3.664 5.560 ( 4.119 0.000 4.445) 6.060 5.736 ( -3.662 0.000 -5.303) 6.445 5.940 ( 4.387 0.000 -3.295) 5.487 6.153 ( -2.645 0.000 -1.231) 2.918 6.157 ( 2.654 0.000 -0.932) 2.813 6.280 ( 2.965 0.000 8.298) 8.812 6.351 ( -5.273 0.000 5.189) 7.398 6.456 ( 1.241 0.000 -8.672) 8.760 6.530 ( -17.135 0.000 -1.794) 17.229 6.864 ( 2.049 0.000 -1.197) 2.373 7.012 ( -3.144 0.000 0.590) 3.199 7.115 ( 2.242 0.000 -3.928) 4.523 7.127 ( 1.104 0.000 -2.466) 2.702 7.132 ( 0.094 0.000 2.553) 2.555 7.170 ( -3.391 0.000 5.038) 6.072 7.312 ( 3.668 0.000 4.121) 5.517 7.323 ( 0.788 0.000 -4.543) 4.611 7.498 ( -1.311 0.000 0.524) 1.412 7.580 ( 1.846 0.000 -3.165) 3.664 7.601 ( 1.530 0.000 3.239) 3.583 7.692 ( 1.762 0.000 -4.055) 4.422 7.774 ( 8.117 0.000 3.485) 8.834 7.870 ( -2.417 0.000 -2.052) 3.170 7.914 ( 4.029 0.000 1.295) 4.232 8.013 ( 7.032 0.000 1.201) 7.134 8.194 ( -4.354 0.000 3.285) 5.454 8.354 ( -2.433 0.000 -4.938) 5.505 8.381 ( 1.890 0.000 -2.458) 3.100 8.408 ( -1.387 0.000 5.008) 5.197 8.708 ( -4.599 0.000 -6.259) 7.767 8.790 ( -0.615 0.000 6.083) 6.114 8.824 ( -4.173 0.000 -0.417) 4.193 8.886 ( -2.631 0.000 1.537) 3.047 11.988 ( 0.121 0.000 0.156) 0.198 11.996 ( 0.421 0.000 -0.154) 0.449 13.038 ( 4.137 0.000 -3.192) 5.226 13.188 ( 9.389 0.000 3.669) 10.080 13.763 ( 2.374 0.000 -7.041) 7.430 13.837 ( 4.887 0.000 5.126) 7.082 13.889 ( -0.347 0.000 0.682) 0.765 13.900 ( 0.355 0.000 -0.969) 1.033 13.983 ( 0.912 0.000 2.826) 2.970 14.053 ( 10.244 0.000 -1.305) 10.327 14.970 ( -10.607 0.000 -29.845) 31.673 15.027 ( -8.428 0.000 24.467) 25.878 16.016 ( -0.414 0.000 -3.031) 3.059 16.043 ( 0.607 0.000 -3.093) 3.152 16.060 ( 1.441 0.000 1.191) 1.870 16.074 ( 0.402 0.000 -0.987) 1.065 16.080 ( -0.457 0.000 2.271) 2.317 16.132 ( -1.803 0.000 3.274) 3.737 16.277 ( 7.992 0.000 4.092) 8.979 16.322 ( 7.490 0.000 4.719) 8.853 17.697 ( 2.927 0.000 -2.450) 3.817 17.699 ( 2.806 0.000 4.740) 5.508 17.963 ( -8.313 0.000 -11.594) 14.266 18.155 ( -5.195 0.000 -2.608) 5.813 18.265 ( 1.185 0.000 -2.848) 3.084 18.302 ( 6.929 0.000 13.127) 14.843 18.699 ( -6.236 0.000 -4.346) 7.601 18.766 ( -6.114 0.000 2.406) 6.570 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 21.331 0.000 -5.038) 21.918 1.525 ( -8.084 0.000 21.481) 22.952 1.677 ( -2.608 0.000 17.310) 17.505 1.680 ( 6.725 0.000 -4.310) 7.987 1.725 ( 5.626 0.000 -10.805) 12.182 1.971 ( -1.324 0.000 10.003) 10.090 2.009 ( -1.097 0.000 3.312) 3.489 2.163 ( -6.856 0.000 6.033) 9.133 2.233 ( 7.541 0.000 -7.577) 10.690 2.355 ( 1.573 0.000 -8.430) 8.575 2.440 ( 5.145 0.000 -4.698) 6.968 2.547 ( -1.011 0.000 -0.038) 1.012 2.703 ( -5.703 0.000 -3.301) 6.589 2.733 ( 1.454 0.000 -15.428) 15.496 2.800 ( 5.394 0.000 4.839) 7.247 2.865 ( 8.248 0.000 -2.832) 8.721 2.924 ( -4.782 0.000 -3.222) 5.766 2.969 ( -5.288 0.000 -3.914) 6.579 3.245 ( 4.524 0.000 7.206) 8.509 3.300 ( 1.018 0.000 5.111) 5.212 3.430 ( -3.857 0.000 -3.596) 5.273 3.551 ( 2.494 0.000 -5.839) 6.349 3.557 ( -1.738 0.000 1.614) 2.372 3.738 ( -6.228 0.000 3.482) 7.135 3.807 ( -7.845 0.000 2.695) 8.295 3.873 ( 4.411 0.000 -2.365) 5.005 3.920 ( 7.706 0.000 -1.792) 7.912 3.924 ( 4.026 0.000 5.042) 6.452 4.143 ( -0.162 0.000 -2.092) 2.098 4.167 ( -7.568 0.000 -1.722) 7.761 4.254 ( -6.954 0.000 -0.224) 6.958 4.335 ( 0.255 0.000 1.967) 1.984 4.453 ( -0.617 0.000 4.855) 4.894 4.465 ( 6.615 0.000 3.049) 7.284 4.507 ( -3.359 0.000 -2.025) 3.922 4.540 ( 1.928 0.000 3.480) 3.978 4.717 ( -1.078 0.000 10.333) 10.389 4.761 ( -0.895 0.000 -1.394) 1.657 4.846 ( 5.604 0.000 -2.787) 6.259 4.853 ( -5.712 0.000 -7.032) 9.059 4.998 ( 1.383 0.000 4.226) 4.446 5.144 ( 1.758 0.000 3.866) 4.247 5.189 ( -2.392 0.000 -4.650) 5.230 5.200 ( -5.751 0.000 -0.349) 5.761 5.332 ( 0.241 0.000 2.210) 2.223 5.399 ( -4.441 0.000 0.368) 4.456 5.571 ( -1.773 0.000 -9.080) 9.251 5.624 ( 0.776 0.000 2.706) 2.815 5.679 ( 2.767 0.000 -1.093) 2.975 5.873 ( -6.471 0.000 -14.475) 15.856 5.959 ( -7.009 0.000 0.211) 7.012 6.078 ( -11.151 0.000 -2.029) 11.334 6.301 ( 6.100 0.000 -2.959) 6.779 6.379 ( 0.267 0.000 4.693) 4.700 6.500 ( 3.329 0.000 9.838) 10.386 6.564 ( 9.695 0.000 -0.445) 9.705 6.876 ( -1.567 0.000 0.741) 1.733 7.003 ( 1.754 0.000 2.604) 3.140 7.048 ( -2.090 0.000 -7.705) 7.984 7.126 ( -1.128 0.000 1.265) 1.695 7.138 ( 2.551 0.000 -2.984) 3.926 7.203 ( -1.303 0.000 5.978) 6.118 7.310 ( 2.828 0.000 -4.477) 5.295 7.369 ( -2.590 0.000 3.920) 4.698 7.424 ( -2.265 0.000 -4.850) 5.352 7.560 ( 0.308 0.000 -4.493) 4.504 7.678 ( 1.843 0.000 5.125) 5.446 7.759 ( 5.558 0.000 2.702) 6.180 7.828 ( 0.493 0.000 -2.102) 2.159 7.933 ( 0.241 0.000 -1.898) 1.913 7.963 ( 4.342 0.000 3.669) 5.685 8.035 ( -5.060 0.000 2.361) 5.584 8.261 ( -1.184 0.000 -3.193) 3.406 8.282 ( 5.151 0.000 3.388) 6.165 8.381 ( 0.706 0.000 -2.965) 3.048 8.406 ( 0.479 0.000 0.164) 0.506 8.567 ( -5.293 0.000 -2.235) 5.745 8.776 ( -1.311 0.000 0.825) 1.549 8.783 ( -5.171 0.000 1.209) 5.311 8.827 ( -2.306 0.000 -0.132) 2.310 11.995 ( 0.270 0.000 0.248) 0.367 12.002 ( 0.322 0.000 -0.197) 0.378 13.165 ( 6.982 0.000 5.832) 9.098 13.351 ( 4.116 0.000 4.308) 5.958 13.761 ( 4.285 0.000 -6.179) 7.520 13.889 ( -0.351 0.000 0.615) 0.708 13.896 ( 0.725 0.000 -0.438) 0.847 13.902 ( 0.204 0.000 0.152) 0.255 14.011 ( -0.184 0.000 0.764) 0.786 14.381 ( 12.409 0.000 -4.339) 13.146 14.499 ( -0.123 0.000 -19.224) 19.224 15.004 ( -16.645 0.000 18.583) 24.948 16.004 ( 1.846 0.000 -2.626) 3.210 16.043 ( 1.498 0.000 -1.874) 2.399 16.060 ( -0.388 0.000 -1.776) 1.818 16.073 ( 0.129 0.000 -0.791) 0.801 16.111 ( 1.099 0.000 2.862) 3.066 16.163 ( 0.968 0.000 4.674) 4.773 16.381 ( -0.610 0.000 -0.653) 0.894 16.452 ( 0.195 0.000 1.560) 1.572 17.750 ( 5.156 0.000 -6.019) 7.926 17.798 ( 3.600 0.000 2.441) 4.350 17.800 ( 1.535 0.000 -1.086) 1.880 18.015 ( -7.452 0.000 -1.577) 7.617 18.281 ( 3.169 0.000 -1.403) 3.465 18.502 ( 3.007 0.000 8.249) 8.780 18.590 ( -1.256 0.000 -1.186) 1.727 18.610 ( -11.432 0.000 0.945) 11.471 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -15.009 0.000 19.392) 24.522 1.546 ( -20.642 0.000 13.966) 24.922 1.657 ( 20.484 0.000 3.120) 20.720 1.816 ( 12.237 0.000 -14.516) 18.986 1.842 ( 13.369 0.000 7.460) 15.310 2.029 ( -18.300 0.000 -7.774) 19.883 2.041 ( -4.772 0.000 12.534) 13.411 2.151 ( -1.451 0.000 3.020) 3.350 2.193 ( 1.288 0.000 7.885) 7.989 2.283 ( 2.358 0.000 -8.143) 8.477 2.445 ( 2.115 0.000 -7.001) 7.314 2.519 ( -3.420 0.000 -12.624) 13.079 2.607 ( -1.965 0.000 1.013) 2.211 2.613 ( 3.435 0.000 2.753) 4.402 2.772 ( -4.557 0.000 -6.137) 7.644 2.784 ( 4.368 0.000 -5.555) 7.067 2.890 ( 0.695 0.000 1.647) 1.787 2.977 ( 4.506 0.000 -7.595) 8.832 3.290 ( -1.525 0.000 2.916) 3.291 3.412 ( 0.681 0.000 -4.079) 4.135 3.457 ( -0.657 0.000 -0.092) 0.664 3.473 ( 1.969 0.000 3.039) 3.622 3.646 ( -7.334 0.000 1.768) 7.544 3.646 ( 8.143 0.000 1.424) 8.266 3.811 ( 4.649 0.000 4.019) 6.145 3.882 ( -3.508 0.000 -3.051) 4.649 3.980 ( -7.400 0.000 -2.093) 7.690 3.983 ( 7.064 0.000 -3.321) 7.805 4.050 ( 3.603 0.000 2.584) 4.434 4.120 ( -1.272 0.000 -4.755) 4.922 4.288 ( 6.594 0.000 9.179) 11.302 4.351 ( -3.871 0.000 4.064) 5.612 4.434 ( -1.533 0.000 -0.801) 1.730 4.470 ( -3.854 0.000 -5.690) 6.872 4.540 ( 3.265 0.000 5.774) 6.633 4.626 ( -0.645 0.000 -1.797) 1.910 4.695 ( -7.924 0.000 2.805) 8.406 4.704 ( 3.854 0.000 0.005) 3.854 4.801 ( 2.080 0.000 3.572) 4.134 4.882 ( 0.632 0.000 -4.560) 4.603 5.046 ( 1.755 0.000 0.829) 1.941 5.079 ( -3.911 0.000 -2.675) 4.738 5.203 ( 2.415 0.000 5.529) 6.033 5.273 ( 3.705 0.000 6.149) 7.179 5.281 ( -1.437 0.000 -2.273) 2.689 5.383 ( -0.284 0.000 -4.752) 4.760 5.516 ( 0.177 0.000 0.635) 0.660 5.593 ( -4.819 0.000 -4.983) 6.932 5.684 ( -0.338 0.000 -1.255) 1.300 5.690 ( -0.107 0.000 -1.676) 1.679 5.867 ( -3.472 0.000 -0.407) 3.496 5.911 ( -1.456 0.000 -2.767) 3.127 6.368 ( -4.973 0.000 2.254) 5.460 6.394 ( 4.407 0.000 -0.748) 4.470 6.635 ( -1.824 0.000 7.481) 7.700 6.733 ( 8.010 0.000 -1.370) 8.126 6.858 ( 1.523 0.000 0.382) 1.570 6.916 ( -3.196 0.000 -7.686) 8.324 7.096 ( 2.397 0.000 4.257) 4.885 7.115 ( -1.765 0.000 2.115) 2.755 7.161 ( 2.127 0.000 0.751) 2.256 7.209 ( -6.358 0.000 4.142) 7.588 7.247 ( -2.599 0.000 -4.476) 5.176 7.343 ( 6.611 0.000 -6.966) 9.604 7.431 ( 0.002 0.000 3.510) 3.510 7.505 ( -1.565 0.000 -3.631) 3.954 7.745 ( -0.029 0.000 4.288) 4.288 7.817 ( 1.561 0.000 -3.082) 3.455 7.907 ( 3.702 0.000 3.021) 4.779 7.942 ( -0.099 0.000 -1.460) 1.463 7.949 ( -3.235 0.000 1.689) 3.649 7.974 ( -0.618 0.000 -1.072) 1.238 8.272 ( 1.956 0.000 1.554) 2.498 8.287 ( -2.686 0.000 0.982) 2.859 8.383 ( 2.264 0.000 -1.939) 2.981 8.402 ( -2.640 0.000 -4.825) 5.500 8.579 ( 4.667 0.000 5.928) 7.545 8.664 ( -5.705 0.000 -2.739) 6.329 8.787 ( 1.532 0.000 1.048) 1.856 8.797 ( -0.988 0.000 -0.338) 1.044 11.999 ( -0.066 0.000 0.242) 0.251 12.004 ( 0.082 0.000 -0.211) 0.226 13.357 ( 4.580 0.000 8.119) 9.322 13.424 ( 0.343 0.000 1.430) 1.471 13.809 ( 5.684 0.000 -1.541) 5.889 13.862 ( -5.238 0.000 -3.785) 6.463 13.889 ( -0.269 0.000 0.612) 0.669 13.904 ( 0.497 0.000 -0.831) 0.968 13.998 ( -0.309 0.000 -0.753) 0.814 14.068 ( -5.391 0.000 -11.745) 12.923 14.781 ( -22.624 0.000 10.559) 24.967 14.923 ( 28.178 0.000 -4.250) 28.497 16.019 ( 1.415 0.000 -0.903) 1.679 16.023 ( -2.030 0.000 -1.396) 2.464 16.053 ( 0.719 0.000 -0.466) 0.857 16.056 ( -1.016 0.000 -0.917) 1.369 16.187 ( 3.478 0.000 4.800) 5.927 16.263 ( 3.948 0.000 6.545) 7.643 16.279 ( -4.944 0.000 -4.612) 6.761 16.371 ( -4.959 0.000 -4.426) 6.647 17.807 ( -7.884 0.000 0.262) 7.888 17.809 ( 3.795 0.000 -0.069) 3.796 17.883 ( 4.264 0.000 1.018) 4.384 17.896 ( -1.667 0.000 -0.410) 1.717 18.384 ( -10.312 0.000 -0.352) 10.318 18.388 ( 10.178 0.000 -0.731) 10.204 18.594 ( -0.141 0.000 2.970) 2.973 18.611 ( 1.872 0.000 0.966) 2.107 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -32.455 0.000 -5.332) 32.890 1.325 ( -20.005 0.000 23.437) 30.814 1.465 ( -24.020 0.000 14.033) 27.819 1.844 ( 1.268 0.000 1.284) 1.805 1.900 ( 10.769 0.000 -17.805) 20.808 2.057 ( -3.250 0.000 9.695) 10.225 2.146 ( -3.101 0.000 1.333) 3.375 2.153 ( -2.612 0.000 -8.075) 8.487 2.239 ( 0.376 0.000 2.594) 2.621 2.262 ( 7.038 0.000 0.780) 7.081 2.368 ( -2.104 0.000 0.575) 2.181 2.496 ( 4.100 0.000 3.788) 5.582 2.591 ( 0.759 0.000 -3.684) 3.761 2.683 ( 0.980 0.000 -2.983) 3.140 2.832 ( 9.235 0.000 1.758) 9.401 2.856 ( -2.432 0.000 -2.542) 3.517 2.921 ( 7.324 0.000 0.310) 7.331 2.954 ( 4.548 0.000 -8.268) 9.436 3.309 ( -2.258 0.000 5.696) 6.127 3.356 ( 1.401 0.000 -3.297) 3.582 3.462 ( -6.764 0.000 -5.074) 8.456 3.506 ( 3.479 0.000 -2.595) 4.341 3.525 ( 1.702 0.000 5.523) 5.779 3.806 ( 4.196 0.000 -3.290) 5.332 3.830 ( 4.107 0.000 -0.721) 4.170 3.831 ( -5.885 0.000 -1.067) 5.981 3.911 ( 1.968 0.000 0.885) 2.158 4.054 ( 0.136 0.000 -7.109) 7.110 4.117 ( 7.551 0.000 2.168) 7.856 4.131 ( -1.177 0.000 -1.205) 1.684 4.270 ( 1.876 0.000 -0.069) 1.877 4.381 ( -3.803 0.000 -0.780) 3.882 4.436 ( 0.223 0.000 2.642) 2.651 4.493 ( 0.038 0.000 2.713) 2.713 4.540 ( -1.543 0.000 -3.176) 3.531 4.556 ( -0.459 0.000 0.169) 0.489 4.706 ( 5.745 0.000 8.053) 9.892 4.776 ( -4.499 0.000 -3.939) 5.980 4.784 ( -2.934 0.000 2.831) 4.077 4.896 ( 8.139 0.000 -4.501) 9.301 5.044 ( 1.120 0.000 -0.563) 1.253 5.096 ( 0.471 0.000 2.318) 2.365 5.219 ( -0.970 0.000 -2.982) 3.136 5.268 ( -4.198 0.000 -8.373) 9.366 5.326 ( -0.108 0.000 5.295) 5.296 5.341 ( 6.683 0.000 4.736) 8.191 5.497 ( -3.651 0.000 -3.289) 4.914 5.613 ( 3.624 0.000 9.046) 9.745 5.667 ( -0.727 0.000 0.854) 1.122 5.677 ( -0.932 0.000 -0.481) 1.048 5.932 ( 7.165 0.000 12.049) 14.019 5.968 ( 7.295 0.000 0.003) 7.295 6.257 ( -8.428 0.000 1.752) 8.608 6.426 ( -0.273 0.000 -0.614) 0.673 6.544 ( -10.677 0.000 2.484) 10.962 6.688 ( -3.761 0.000 -11.166) 11.783 6.912 ( 5.224 0.000 -1.570) 5.455 6.951 ( 5.197 0.000 1.710) 5.471 7.056 ( -6.456 0.000 -1.368) 6.599 7.105 ( -0.802 0.000 0.095) 0.807 7.126 ( 0.171 0.000 0.170) 0.241 7.235 ( -1.391 0.000 2.292) 2.681 7.251 ( 2.418 0.000 4.304) 4.936 7.390 ( 2.836 0.000 -3.928) 4.844 7.463 ( -1.306 0.000 5.510) 5.663 7.464 ( 3.256 0.000 -5.422) 6.324 7.767 ( -3.172 0.000 -4.009) 5.112 7.776 ( 0.002 0.000 2.209) 2.209 7.809 ( -7.152 0.000 -1.096) 7.235 7.926 ( 2.292 0.000 -0.948) 2.480 8.005 ( 1.524 0.000 -0.502) 1.605 8.044 ( 3.151 0.000 1.483) 3.482 8.254 ( -1.816 0.000 -1.981) 2.687 8.319 ( -2.380 0.000 2.402) 3.381 8.339 ( -3.680 0.000 2.471) 4.433 8.367 ( 3.544 0.000 -2.655) 4.428 8.582 ( 0.907 0.000 -1.925) 2.128 8.720 ( 4.334 0.000 6.484) 7.799 8.784 ( -0.014 0.000 -0.317) 0.317 8.848 ( 4.139 0.000 -0.801) 4.216 11.998 ( -0.328 0.000 0.231) 0.401 12.000 ( -0.257 0.000 -0.262) 0.367 13.337 ( -6.348 0.000 -10.753) 12.487 13.422 ( -1.608 0.000 -1.513) 2.207 13.685 ( -6.121 0.000 0.340) 6.130 13.880 ( -0.540 0.000 1.214) 1.328 13.901 ( 0.502 0.000 0.410) 0.648 13.904 ( 0.452 0.000 -0.911) 1.017 14.023 ( 1.746 0.000 -0.647) 1.862 14.098 ( 8.781 0.000 11.699) 14.628 14.411 ( -22.547 0.000 2.308) 22.665 15.312 ( 22.278 0.000 -13.623) 26.113 15.967 ( -2.998 0.000 0.693) 3.077 16.017 ( -2.790 0.000 0.374) 2.815 16.034 ( 0.333 0.000 0.692) 0.768 16.060 ( 0.184 0.000 0.261) 0.319 16.175 ( -1.761 0.000 -3.425) 3.852 16.252 ( -2.426 0.000 -4.358) 4.988 16.327 ( 4.914 0.000 5.344) 7.260 16.420 ( 5.031 0.000 5.421) 7.396 17.610 ( -13.774 0.000 6.099) 15.064 17.822 ( -2.102 0.000 -0.114) 2.105 17.834 ( -3.720 0.000 -2.870) 4.698 17.984 ( 5.403 0.000 1.398) 5.581 18.276 ( -1.304 0.000 -0.377) 1.357 18.577 ( -2.220 0.000 0.262) 2.236 18.596 ( 6.886 0.000 -0.909) 6.946 18.639 ( 5.605 0.000 -2.368) 6.085 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -6.916 0.000 20.824) 21.942 1.230 ( -17.567 0.000 29.363) 34.217 1.340 ( -14.161 0.000 27.097) 30.574 1.777 ( -5.911 0.000 -2.115) 6.278 1.862 ( 6.527 0.000 -20.236) 21.263 1.989 ( -6.650 0.000 -6.131) 9.045 2.073 ( 2.581 0.000 -7.331) 7.772 2.118 ( -1.045 0.000 8.850) 8.912 2.271 ( -5.402 0.000 2.131) 5.807 2.293 ( 1.312 0.000 4.987) 5.157 2.451 ( 6.586 0.000 -4.494) 7.973 2.533 ( -1.506 0.000 -4.760) 4.992 2.614 ( 2.020 0.000 3.241) 3.819 2.686 ( -3.498 0.000 -0.032) 3.498 2.716 ( -6.703 0.000 -2.503) 7.155 2.799 ( 0.890 0.000 -2.604) 2.752 3.012 ( 3.377 0.000 -9.496) 10.079 3.073 ( 6.507 0.000 4.704) 8.030 3.246 ( -3.499 0.000 -8.446) 9.142 3.379 ( 5.243 0.000 2.930) 6.006 3.445 ( 1.442 0.000 1.743) 2.262 3.518 ( 1.213 0.000 -5.531) 5.663 3.660 ( 2.353 0.000 10.337) 10.601 3.733 ( 0.358 0.000 -4.558) 4.572 3.845 ( -1.209 0.000 -4.162) 4.334 3.887 ( -0.264 0.000 -5.145) 5.152 3.907 ( 1.260 0.000 -2.429) 2.736 3.973 ( 4.994 0.000 -3.407) 6.046 4.103 ( -0.263 0.000 4.543) 4.551 4.254 ( 0.062 0.000 -1.254) 1.256 4.292 ( 0.553 0.000 2.802) 2.856 4.383 ( 4.915 0.000 -0.585) 4.949 4.434 ( -0.411 0.000 -0.911) 1.000 4.454 ( -2.335 0.000 1.909) 3.016 4.533 ( -3.427 0.000 -6.063) 6.965 4.548 ( 3.564 0.000 2.754) 4.504 4.743 ( -2.878 0.000 -1.784) 3.386 4.760 ( 0.218 0.000 1.581) 1.596 4.815 ( -3.787 0.000 4.397) 5.803 4.829 ( -1.200 0.000 -11.153) 11.218 5.026 ( 0.488 0.000 -3.135) 3.173 5.174 ( 1.518 0.000 5.224) 5.440 5.192 ( 5.045 0.000 0.938) 5.131 5.289 ( -6.019 0.000 -3.860) 7.150 5.312 ( 7.959 0.000 3.530) 8.707 5.509 ( 4.555 0.000 2.435) 5.165 5.564 ( 9.402 0.000 11.575) 14.912 5.595 ( -3.078 0.000 -1.566) 3.454 5.632 ( -2.597 0.000 -1.783) 3.150 5.800 ( 0.191 0.000 10.965) 10.967 6.110 ( -6.090 0.000 2.149) 6.458 6.123 ( 5.777 0.000 1.592) 5.992 6.313 ( 5.804 0.000 8.752) 10.502 6.383 ( -2.676 0.000 -1.138) 2.908 6.391 ( 4.107 0.000 3.704) 5.531 6.551 ( 1.462 0.000 -6.666) 6.825 6.913 ( 1.177 0.000 -4.695) 4.840 7.040 ( 4.491 0.000 -1.894) 4.874 7.042 ( 1.782 0.000 1.909) 2.611 7.097 ( -0.266 0.000 0.527) 0.590 7.147 ( 2.665 0.000 0.340) 2.686 7.231 ( -2.384 0.000 4.635) 5.212 7.274 ( 0.699 0.000 -3.901) 3.964 7.364 ( -4.583 0.000 -0.567) 4.618 7.488 ( -1.997 0.000 5.670) 6.012 7.508 ( 4.476 0.000 -2.351) 5.056 7.658 ( -6.019 0.000 -1.325) 6.163 7.672 ( -2.347 0.000 -3.367) 4.104 7.820 ( 0.250 0.000 0.850) 0.886 7.903 ( -5.926 0.000 -6.565) 8.844 7.952 ( 0.712 0.000 -2.682) 2.775 8.036 ( -6.630 0.000 -0.216) 6.633 8.246 ( 1.680 0.000 -2.616) 3.109 8.255 ( 1.164 0.000 4.649) 4.793 8.323 ( -2.362 0.000 3.842) 4.510 8.473 ( 4.561 0.000 -1.156) 4.706 8.617 ( 2.011 0.000 2.422) 3.148 8.802 ( 1.733 0.000 1.519) 2.305 8.881 ( 5.108 0.000 0.026) 5.108 8.889 ( 3.467 0.000 -1.232) 3.679 11.992 ( -0.195 0.000 -0.235) 0.306 11.993 ( -0.371 0.000 0.191) 0.417 13.048 ( -11.699 0.000 -5.658) 12.995 13.292 ( -6.908 0.000 -6.741) 9.652 13.646 ( -2.321 0.000 5.051) 5.559 13.877 ( -0.545 0.000 1.201) 1.319 13.894 ( -0.873 0.000 -0.839) 1.211 13.904 ( 0.524 0.000 -0.892) 1.034 14.035 ( 0.299 0.000 -2.320) 2.339 14.067 ( -12.696 0.000 -2.323) 12.907 14.462 ( 9.292 0.000 23.462) 25.235 15.468 ( 13.476 0.000 -21.878) 25.695 15.950 ( -0.550 0.000 3.234) 3.280 15.980 ( -1.925 0.000 2.702) 3.318 16.046 ( -0.213 0.000 1.503) 1.518 16.064 ( -0.219 0.000 0.318) 0.386 16.135 ( 0.381 0.000 -2.843) 2.868 16.198 ( 0.437 0.000 -3.346) 3.375 16.349 ( -6.359 0.000 -3.547) 7.282 16.432 ( -5.673 0.000 -5.607) 7.976 17.553 ( -4.175 0.000 15.899) 16.438 17.762 ( -2.453 0.000 -2.319) 3.376 17.775 ( 1.289 0.000 3.145) 3.399 18.092 ( 3.411 0.000 3.249) 4.710 18.273 ( 1.008 0.000 -1.928) 2.176 18.528 ( -2.834 0.000 -9.618) 10.027 18.607 ( 4.371 0.000 5.365) 6.920 18.799 ( 6.807 0.000 -1.142) 6.902 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -3.789 -6.655 27.413) 28.462 1.323 ( 17.333 7.400 28.862) 34.470 1.462 ( 2.955 -8.817 -21.547) 23.468 1.763 ( -7.212 12.568 4.622) 15.210 1.849 ( -9.154 11.442 -2.972) 14.952 1.922 ( -0.154 6.574 -7.420) 9.915 2.072 ( -0.698 -0.404 4.408) 4.481 2.163 ( -4.616 3.323 -1.799) 5.965 2.316 ( 1.646 6.003 5.277) 8.161 2.349 ( 1.669 5.036 2.864) 6.029 2.498 ( 5.462 6.275 -7.642) 11.296 2.524 ( -2.704 6.792 -9.316) 11.842 2.588 ( -3.472 6.833 7.204) 10.519 2.734 ( -0.238 4.149 -7.372) 8.463 2.798 ( 0.361 5.932 5.919) 8.388 2.914 ( 4.109 3.986 0.270) 5.731 3.011 ( 1.524 4.504 -2.106) 5.201 3.144 ( -1.218 4.057 -8.931) 9.885 3.257 ( 3.699 -1.608 4.860) 6.316 3.324 ( -2.660 -5.426 -2.826) 6.671 3.402 ( 4.555 -3.496 5.286) 7.805 3.552 ( -4.640 -0.864 -8.573) 9.786 3.650 ( -5.192 3.014 3.281) 6.842 3.724 ( 3.658 3.399 -4.368) 6.634 3.792 ( 0.503 -1.703 0.586) 1.870 3.829 ( 0.619 -2.880 -2.811) 4.072 3.975 ( 5.595 1.394 6.377) 8.597 4.126 ( -5.925 -1.046 -2.983) 6.715 4.140 ( -1.105 -0.184 0.229) 1.143 4.205 ( 6.334 0.127 0.690) 6.373 4.279 ( -0.180 -2.059 -1.027) 2.308 4.328 ( -0.795 -3.572 -3.064) 4.773 4.422 ( -1.321 0.382 1.238) 1.851 4.452 ( -2.834 1.257 1.157) 3.309 4.495 ( -0.802 1.322 -0.976) 1.829 4.533 ( -3.159 -0.126 -4.032) 5.124 4.660 ( 2.718 -1.069 3.880) 4.857 4.716 ( -3.176 -0.779 -1.153) 3.468 4.819 ( -2.103 3.932 1.249) 4.630 4.873 ( 3.583 2.607 -4.381) 6.231 5.058 ( 0.918 0.548 2.453) 2.676 5.112 ( -2.216 0.808 -3.010) 3.824 5.294 ( -0.794 -0.317 5.207) 5.277 5.333 ( 7.992 -2.651 2.676) 8.836 5.402 ( -1.677 -8.108 0.678) 8.307 5.439 ( -0.592 -4.351 -0.712) 4.449 5.523 ( -5.631 0.570 1.283) 5.803 5.559 ( 2.834 -0.271 -3.013) 4.146 5.768 ( 6.338 -3.372 4.731) 8.598 5.840 ( -4.421 -1.068 -2.683) 5.281 6.133 ( 0.205 -1.809 13.258) 13.382 6.222 ( -1.960 6.964 1.363) 7.362 6.250 ( -3.561 4.878 1.082) 6.136 6.347 ( 2.098 -2.651 -3.148) 4.619 6.508 ( 0.397 -5.639 -3.073) 6.434 6.565 ( 9.089 -12.957 -4.852) 16.554 6.886 ( -2.312 -6.210 1.472) 6.788 6.915 ( -1.011 -7.593 -1.763) 7.860 7.048 ( 4.992 -2.378 0.601) 5.562 7.068 ( -2.674 -3.719 -0.405) 4.598 7.136 ( 0.471 -0.037 -0.947) 1.058 7.163 ( -3.959 -0.014 -2.760) 4.826 7.247 ( -0.348 1.122 4.865) 5.004 7.353 ( 1.876 1.977 -5.123) 5.803 7.400 ( -2.320 -3.575 5.405) 6.883 7.473 ( 1.775 -5.176 -2.432) 5.988 7.603 ( -3.934 0.298 3.878) 5.532 7.673 ( 5.008 1.922 -2.906) 6.100 7.852 ( 3.137 0.935 -0.736) 3.355 7.868 ( -3.250 -0.962 -2.476) 4.197 7.950 ( -0.318 7.196 1.943) 7.461 8.003 ( -1.451 7.841 -3.062) 8.541 8.314 ( -4.852 3.203 2.616) 6.376 8.337 ( 3.545 1.530 0.953) 3.977 8.363 ( 1.101 1.526 4.759) 5.117 8.470 ( -1.065 1.332 -5.432) 5.694 8.701 ( 2.395 -0.240 5.446) 5.954 8.793 ( -1.435 -2.356 -3.467) 4.431 8.857 ( -1.949 -3.816 1.816) 4.654 8.875 ( 0.895 -0.775 -0.754) 1.404 12.090 ( 0.215 8.564 1.990) 8.794 12.157 ( -0.197 12.658 -5.877) 13.957 12.952 ( 3.745 -2.577 4.108) 6.127 13.044 ( -3.554 -5.088 -5.605) 8.363 13.720 ( 2.082 2.137 5.704) 6.438 13.826 ( -2.515 0.283 -4.852) 5.472 13.941 ( -0.601 3.154 -0.271) 3.222 13.964 ( -0.423 4.506 -2.458) 5.150 13.990 ( -1.719 6.025 4.688) 7.825 14.075 ( 1.912 7.596 -4.179) 8.878 14.831 ( 4.745 0.420 22.924) 23.413 15.264 ( -1.521 -8.787 -22.398) 24.108 16.005 ( 1.413 0.360 3.084) 3.412 16.041 ( 2.008 0.987 3.267) 3.960 16.066 ( 0.630 0.380 -1.555) 1.721 16.089 ( 0.444 2.825 1.912) 3.440 16.141 ( -1.668 0.999 -0.337) 1.973 16.189 ( -2.792 0.044 0.854) 2.919 16.193 ( -3.325 3.510 -5.295) 7.170 16.244 ( -2.674 2.020 -4.421) 5.547 17.641 ( -0.300 2.359 5.388) 5.889 17.704 ( -0.451 0.016 -2.253) 2.297 18.004 ( 10.269 -0.152 12.941) 16.521 18.115 ( -2.726 -2.875 2.312) 4.587 18.202 ( -1.074 -4.371 -2.469) 5.134 18.295 ( -4.011 -4.674 -12.279) 13.737 18.672 ( 5.448 -7.574 4.315) 10.280 18.735 ( -3.332 -8.505 -2.598) 9.497 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.579 -2.002 8.505) 8.879 1.252 ( -1.405 0.933 -8.204) 8.375 1.425 ( 3.148 -9.899 -24.672) 26.770 1.783 ( 1.270 16.545 21.325) 27.021 1.873 ( -2.115 -3.238 1.518) 4.155 1.933 ( 3.796 11.746 1.870) 12.485 2.065 ( -5.559 5.414 2.323) 8.100 2.179 ( 6.747 0.019 6.585) 9.428 2.357 ( -3.966 7.454 -2.125) 8.707 2.398 ( 3.690 3.046 -4.736) 6.733 2.450 ( 4.179 5.976 -3.510) 8.093 2.574 ( 3.510 8.584 -0.150) 9.275 2.670 ( 6.486 7.048 9.755) 13.671 2.684 ( 1.662 1.540 -2.504) 3.377 2.829 ( -1.905 3.414 2.088) 4.433 2.887 ( 1.259 4.124 -9.478) 10.413 3.034 ( -0.352 4.727 -1.684) 5.030 3.091 ( 0.522 5.465 0.896) 5.562 3.247 ( -1.667 -5.023 -2.276) 5.761 3.278 ( -8.475 0.507 -4.969) 9.837 3.375 ( 2.895 -6.169 1.920) 7.080 3.562 ( 0.232 4.195 2.004) 4.655 3.668 ( 4.229 -1.038 7.394) 8.581 3.768 ( -1.719 2.084 -2.355) 3.584 3.777 ( 0.853 -0.535 -0.566) 1.155 3.844 ( 3.850 -0.698 -3.648) 5.350 3.910 ( -6.565 1.464 -5.260) 8.539 4.002 ( -8.267 2.333 0.583) 8.610 4.160 ( 0.903 -3.899 5.152) 6.524 4.201 ( -3.214 -1.456 -2.498) 4.323 4.281 ( 1.953 -1.596 -2.234) 3.370 4.332 ( 2.179 -2.185 1.371) 3.377 4.418 ( -2.914 1.353 1.284) 3.460 4.453 ( 1.521 0.986 1.860) 2.598 4.508 ( -2.333 1.731 -0.166) 2.910 4.531 ( 3.893 -1.054 8.228) 9.164 4.641 ( -2.279 0.830 -2.029) 3.162 4.756 ( 1.789 -1.068 2.651) 3.371 4.805 ( -0.526 1.158 -0.221) 1.291 4.901 ( 4.953 4.314 -0.388) 6.580 5.050 ( -3.237 0.545 -2.791) 4.308 5.130 ( 3.227 0.144 3.065) 4.453 5.208 ( -6.484 -0.213 -0.740) 6.530 5.314 ( -3.444 -5.136 -3.892) 7.306 5.363 ( -7.427 -0.080 -1.476) 7.572 5.485 ( 2.466 -4.846 2.372) 5.932 5.518 ( 5.219 -2.338 2.489) 6.236 5.576 ( -2.494 1.187 -2.211) 3.538 5.696 ( -3.280 -2.741 -4.314) 6.073 5.917 ( 4.106 -3.803 1.747) 5.863 6.105 ( -8.077 -4.212 -0.419) 9.119 6.261 ( 2.791 3.963 1.927) 5.216 6.275 ( 0.045 0.820 -0.781) 1.133 6.336 ( -4.384 -0.695 5.747) 7.262 6.427 ( -2.853 -4.298 -8.052) 9.563 6.461 ( -2.987 -2.091 -2.792) 4.592 6.874 ( 0.343 0.327 -0.314) 0.568 6.889 ( -1.194 -8.567 0.837) 8.691 7.032 ( 1.167 -5.576 -2.749) 6.325 7.093 ( -0.315 -2.645 0.882) 2.806 7.140 ( 2.051 -0.667 0.159) 2.162 7.194 ( -1.704 0.478 2.207) 2.829 7.288 ( 4.803 -1.155 0.422) 4.958 7.377 ( 2.476 1.572 -1.765) 3.423 7.392 ( -2.841 -3.932 -0.187) 4.854 7.533 ( 2.538 -4.164 2.618) 5.535 7.586 ( 3.543 -0.353 0.625) 3.615 7.700 ( 0.339 0.835 -5.515) 5.588 7.817 ( 1.651 0.239 2.625) 3.110 7.879 ( 0.272 -0.039 -2.136) 2.154 7.973 ( 0.668 4.746 1.497) 5.021 8.086 ( 7.314 7.461 1.884) 10.617 8.251 ( -3.041 4.473 2.497) 5.957 8.354 ( -2.394 -0.868 -2.838) 3.813 8.405 ( -0.169 3.222 -1.724) 3.658 8.423 ( -0.051 1.383 3.987) 4.221 8.683 ( -4.377 -1.949 -4.328) 6.456 8.777 ( -0.115 -0.366 2.791) 2.818 8.814 ( -2.952 -1.112 2.031) 3.752 8.879 ( -0.951 -0.461 -0.641) 1.236 12.088 ( -1.771 8.946 -1.100) 9.186 12.106 ( -1.125 8.946 1.126) 9.086 12.995 ( 3.010 -4.109 -1.980) 5.465 13.131 ( 9.058 -5.166 2.360) 10.692 13.730 ( -0.189 -1.417 -2.942) 3.271 13.868 ( 1.996 0.987 1.763) 2.840 13.946 ( -2.374 5.774 1.524) 6.426 13.954 ( 1.690 2.367 1.116) 3.115 14.008 ( 7.340 3.668 2.168) 8.487 14.150 ( 7.287 10.467 -1.808) 12.881 14.893 ( -11.870 -7.109 -24.948) 28.528 15.039 ( -4.953 1.524 19.367) 20.048 15.994 ( -0.721 -1.882 -1.067) 2.280 16.019 ( -2.302 -0.159 -3.457) 4.157 16.066 ( -0.052 0.904 2.284) 2.457 16.106 ( 0.298 2.169 0.243) 2.203 16.144 ( 1.383 3.257 -0.042) 3.538 16.150 ( -1.298 1.857 1.485) 2.709 16.286 ( 7.522 0.981 4.684) 8.915 16.326 ( 7.137 0.428 4.566) 8.484 17.698 ( 2.215 0.246 0.329) 2.253 17.713 ( 3.032 1.135 1.468) 3.555 17.924 ( -9.123 -3.670 -10.631) 14.482 18.126 ( -4.365 -2.800 -2.345) 5.692 18.213 ( 0.703 -5.278 -2.091) 5.720 18.300 ( 7.969 -0.087 10.792) 13.416 18.594 ( -6.478 -9.509 -4.040) 12.195 18.721 ( -3.354 -4.185 1.237) 5.504 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 19.460 6.500 -4.109) 20.924 1.389 ( -3.183 -6.252 8.879) 11.316 1.408 ( 11.750 -11.769 -11.289) 20.100 1.848 ( -2.338 -7.861 7.358) 11.018 1.945 ( -2.119 13.586 13.943) 19.583 1.978 ( -1.144 9.881 4.318) 10.844 2.028 ( 0.402 8.252 2.203) 8.551 2.255 ( -3.259 7.119 -2.785) 8.310 2.325 ( 5.814 3.875 -0.511) 7.006 2.399 ( 2.049 1.479 -7.537) 7.950 2.455 ( -0.678 5.725 -2.774) 6.398 2.575 ( -2.095 0.225 0.858) 2.275 2.656 ( -2.583 2.356 -4.433) 5.646 2.772 ( -1.300 0.043 -1.407) 1.916 2.826 ( 1.503 5.293 -7.006) 8.909 2.917 ( -4.097 4.021 -1.894) 6.045 3.036 ( -1.817 5.671 -2.935) 6.639 3.050 ( 7.052 9.187 -0.492) 11.592 3.216 ( -0.075 -2.047 4.850) 5.265 3.264 ( 4.149 -2.178 3.643) 5.935 3.352 ( -2.473 -4.147 -1.707) 5.122 3.555 ( -4.969 -1.298 1.386) 5.320 3.636 ( 0.071 5.573 -5.407) 7.765 3.737 ( -4.821 0.417 0.147) 4.841 3.804 ( -1.061 0.144 2.235) 2.479 3.884 ( 4.487 -0.849 2.324) 5.124 3.902 ( 7.142 -0.150 2.680) 7.630 3.957 ( 1.873 2.355 1.543) 3.381 4.082 ( -9.137 -1.899 -1.312) 9.424 4.171 ( -1.564 -1.147 -1.914) 2.725 4.273 ( -0.272 -0.379 1.645) 1.710 4.394 ( 0.220 3.202 -1.595) 3.584 4.430 ( -1.955 1.305 1.890) 3.016 4.455 ( 3.251 0.355 4.726) 5.748 4.526 ( 1.967 -0.821 3.578) 4.165 4.559 ( -2.144 2.659 -1.451) 3.711 4.683 ( 2.234 -2.568 4.638) 5.753 4.766 ( -2.058 -0.076 1.582) 2.597 4.805 ( -0.480 -1.737 -3.392) 3.841 4.895 ( -4.448 0.257 -5.853) 7.356 5.035 ( 1.324 3.341 4.519) 5.774 5.115 ( 2.436 -1.978 -1.155) 3.343 5.158 ( -0.846 -1.128 -0.540) 1.510 5.246 ( -4.346 2.444 1.817) 5.307 5.340 ( 2.823 -0.148 4.359) 5.195 5.388 ( -8.273 0.157 -2.552) 8.659 5.522 ( 0.754 -4.452 -7.792) 9.006 5.606 ( 3.739 -0.720 1.843) 4.230 5.681 ( 0.987 -0.820 1.481) 1.960 5.860 ( -10.095 -4.619 -9.887) 14.865 5.946 ( -0.705 -0.402 -2.101) 2.252 6.086 ( -9.675 1.174 -4.872) 10.896 6.316 ( 3.320 2.465 -3.238) 5.252 6.374 ( -0.317 -2.416 3.795) 4.510 6.438 ( 5.265 -3.596 6.691) 9.243 6.542 ( 5.443 -1.861 3.080) 6.525 6.836 ( -1.845 -4.036 -0.535) 4.470 6.924 ( 1.380 -4.142 2.487) 5.025 7.026 ( 0.806 -3.912 -3.283) 5.170 7.086 ( -1.457 -3.024 1.468) 3.664 7.150 ( 0.929 1.388 -6.742) 6.946 7.188 ( -1.059 -2.854 3.427) 4.583 7.264 ( -5.008 -7.784 -2.561) 9.604 7.360 ( 3.530 1.095 -4.118) 5.533 7.418 ( 1.151 3.522 3.895) 5.376 7.611 ( 0.529 0.984 -3.662) 3.829 7.640 ( 2.822 -2.383 6.229) 7.241 7.763 ( 6.160 0.637 1.418) 6.353 7.816 ( 0.511 -0.710 -1.890) 2.083 7.927 ( 3.846 1.396 -0.566) 4.131 7.956 ( -3.733 0.486 2.573) 4.560 8.145 ( -2.008 5.214 -1.614) 5.815 8.287 ( -1.294 1.540 -0.785) 2.159 8.326 ( 5.458 4.089 2.991) 7.447 8.351 ( -2.904 -0.137 -2.082) 3.576 8.451 ( 1.211 2.926 0.270) 3.178 8.573 ( -4.238 0.955 -0.138) 4.346 8.764 ( -1.992 -1.288 0.091) 2.374 8.788 ( -2.867 0.806 1.281) 3.242 8.840 ( -1.124 1.553 -1.344) 2.341 12.062 ( -0.309 6.653 -0.194) 6.663 12.091 ( -1.311 7.390 0.542) 7.525 13.094 ( 5.130 -6.504 4.969) 9.659 13.283 ( 4.979 -6.473 1.482) 8.300 13.728 ( 3.283 -2.058 -2.989) 4.894 13.867 ( -1.641 0.275 1.009) 1.946 13.918 ( -1.202 2.044 0.356) 2.398 13.992 ( 0.768 5.471 2.336) 5.998 14.160 ( 3.222 13.144 -2.508) 13.763 14.378 ( 1.814 -0.809 -8.564) 8.791 14.451 ( 6.320 -3.353 -9.094) 11.571 15.033 ( -12.881 3.185 13.458) 18.900 15.985 ( 0.829 -1.195 -0.991) 1.761 16.003 ( 1.701 -2.435 -0.430) 3.001 16.078 ( -0.700 1.009 1.812) 2.189 16.095 ( 0.033 2.392 -2.694) 3.603 16.151 ( 0.269 2.064 0.645) 2.179 16.174 ( 0.812 0.843 3.402) 3.598 16.382 ( -1.039 0.008 -1.084) 1.502 16.450 ( -0.011 -0.126 1.252) 1.258 17.736 ( 1.401 -3.452 -5.535) 6.672 17.769 ( 4.562 -0.217 1.197) 4.721 17.805 ( 3.122 -0.102 1.007) 3.282 18.004 ( -6.426 -1.103 -1.726) 6.744 18.233 ( 3.256 -5.069 -0.441) 6.041 18.481 ( 0.802 -5.769 2.442) 6.315 18.506 ( 1.829 -3.796 3.355) 5.386 18.591 ( -9.862 -1.871 -1.006) 10.089 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -20.075 -7.970 13.586) 25.517 1.525 ( 17.080 -9.954 -13.118) 23.726 1.768 ( 25.817 2.711 9.600) 27.677 1.861 ( -16.193 10.432 5.388) 20.002 1.933 ( -3.347 -0.895 11.900) 12.394 2.063 ( 3.546 12.241 -0.696) 12.763 2.103 ( -2.412 2.179 8.538) 9.135 2.152 ( -9.283 5.003 -6.998) 12.656 2.213 ( 0.958 -0.245 -7.968) 8.029 2.310 ( -3.838 0.630 -9.529) 10.292 2.489 ( 3.005 8.273 7.297) 11.433 2.594 ( 1.627 -1.683 5.848) 6.299 2.643 ( -4.606 4.301 -5.686) 8.488 2.670 ( 5.501 5.983 -0.239) 8.131 2.725 ( -3.603 0.017 -6.577) 7.499 2.769 ( 1.218 5.143 -9.070) 10.497 3.024 ( -0.764 8.823 2.035) 9.087 3.097 ( 0.266 6.202 -4.789) 7.840 3.233 ( -1.796 -4.880 2.731) 5.873 3.295 ( 2.484 -5.058 -2.762) 6.275 3.423 ( 0.124 -1.361 4.353) 4.563 3.502 ( -1.594 -0.025 -1.608) 2.265 3.647 ( 2.950 0.453 3.609) 4.683 3.733 ( 3.895 4.366 -1.571) 6.058 3.825 ( 2.485 1.421 1.255) 3.125 3.867 ( -7.523 -1.992 -4.656) 9.069 3.965 ( 0.620 1.497 2.232) 2.758 3.999 ( 0.874 0.341 -0.553) 1.089 4.075 ( 6.614 2.488 3.361) 7.825 4.139 ( -0.411 1.358 -3.191) 3.492 4.328 ( 1.656 0.454 6.185) 6.419 4.364 ( -0.946 3.241 1.986) 3.918 4.403 ( -1.748 -2.034 -1.445) 3.047 4.459 ( -3.183 0.318 -4.768) 5.742 4.558 ( 2.893 0.010 4.947) 5.731 4.638 ( -5.583 0.272 -3.333) 6.508 4.655 ( 2.357 -1.960 3.871) 4.938 4.711 ( -1.940 1.348 -0.552) 2.426 4.766 ( 1.573 -3.273 2.727) 4.541 4.842 ( 0.148 -3.947 -4.509) 5.994 5.086 ( 1.875 3.500 2.333) 4.605 5.133 ( -3.084 3.924 -2.231) 5.467 5.190 ( 2.546 -0.689 2.357) 3.537 5.241 ( -4.536 -2.456 0.248) 5.164 5.300 ( 6.371 0.757 3.158) 7.151 5.353 ( -1.345 -2.209 -3.546) 4.389 5.517 ( -0.134 0.095 3.132) 3.136 5.625 ( -5.049 0.440 -3.578) 6.204 5.692 ( 3.413 2.460 0.527) 4.240 5.702 ( -0.115 -0.435 -3.278) 3.309 5.879 ( -3.102 1.018 -1.310) 3.518 5.912 ( -2.844 0.396 -3.135) 4.252 6.335 ( -3.824 -2.203 2.533) 5.088 6.376 ( 2.942 -0.848 -2.142) 3.737 6.605 ( -0.712 -3.278 6.373) 7.202 6.656 ( 6.449 -6.752 1.378) 9.438 6.824 ( 1.987 -3.084 0.657) 3.727 6.910 ( -2.927 -1.987 -7.741) 8.511 7.021 ( 1.223 -5.529 4.061) 6.968 7.058 ( -2.574 -3.937 0.190) 4.708 7.097 ( -0.914 -6.935 -1.638) 7.184 7.175 ( 1.387 -2.560 -5.906) 6.584 7.233 ( -2.374 0.848 6.313) 6.798 7.371 ( 4.622 0.230 -7.304) 8.647 7.480 ( -0.221 4.162 6.061) 7.355 7.571 ( -1.692 3.829 -3.090) 5.203 7.714 ( 0.640 -1.287 3.110) 3.427 7.775 ( 1.045 -2.773 -3.414) 4.521 7.905 ( -3.938 -0.609 4.463) 5.983 7.936 ( 5.249 1.386 1.042) 5.528 7.988 ( 2.343 3.031 1.000) 3.959 8.044 ( -4.073 3.847 -4.187) 6.994 8.260 ( -1.779 -1.146 0.332) 2.143 8.276 ( -0.154 -1.299 -1.435) 1.942 8.428 ( 1.837 4.300 0.730) 4.733 8.453 ( -1.294 4.902 -2.029) 5.461 8.587 ( 2.333 0.779 6.215) 6.684 8.681 ( -3.141 1.405 -3.639) 5.008 8.787 ( 0.388 0.519 1.788) 1.902 8.815 ( -0.125 1.866 -1.409) 2.341 12.068 ( 0.466 6.231 0.311) 6.256 12.074 ( -0.283 6.465 -0.280) 6.477 13.239 ( 2.846 -9.972 7.053) 12.541 13.335 ( 0.582 -8.302 -2.286) 8.630 13.800 ( 5.092 -1.721 0.264) 5.382 13.825 ( -3.656 -0.288 -1.298) 3.891 13.916 ( 0.532 1.609 2.149) 2.737 13.995 ( -5.638 5.145 -2.569) 8.054 14.073 ( -1.057 1.763 -4.220) 4.694 14.140 ( -0.005 12.666 -5.855) 13.953 14.825 ( -17.472 4.502 6.231) 19.089 14.891 ( 22.553 -2.550 -0.622) 22.705 16.006 ( 0.706 -0.230 1.404) 1.588 16.038 ( 0.920 -0.429 0.855) 1.327 16.058 ( -0.399 1.438 -3.245) 3.572 16.066 ( -1.403 0.866 -0.792) 1.829 16.190 ( 2.261 0.140 3.601) 4.254 16.256 ( 3.096 -0.829 6.594) 7.332 16.273 ( -4.480 -0.597 -4.538) 6.404 16.368 ( -4.460 -0.422 -4.654) 6.460 17.785 ( 2.490 -2.473 1.739) 3.917 17.820 ( -4.555 0.802 -1.780) 4.956 17.871 ( 4.486 -0.930 1.084) 4.708 17.887 ( -2.382 -0.840 -0.635) 2.604 18.346 ( 9.320 -4.139 0.613) 10.216 18.370 ( -9.866 -1.405 -1.891) 10.143 18.530 ( 1.875 -7.413 3.258) 8.311 18.565 ( 0.052 -2.752 -0.153) 2.757 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -21.309 -11.130 19.342) 30.856 1.260 ( -34.124 5.302 -10.003) 35.953 1.687 ( 11.525 -7.588 -12.773) 18.803 1.834 ( -13.981 20.925 14.519) 29.054 2.012 ( -5.598 -0.986 2.247) 6.112 2.053 ( -0.088 -2.804 -6.613) 7.183 2.139 ( 2.093 6.527 1.478) 7.012 2.174 ( -2.093 0.770 -0.265) 2.246 2.240 ( 1.283 6.576 2.120) 7.028 2.282 ( 9.781 2.881 3.860) 10.902 2.525 ( -0.857 9.108 -3.742) 9.884 2.591 ( -0.935 5.400 4.244) 6.931 2.620 ( 1.789 4.524 -0.829) 4.935 2.725 ( 3.148 5.691 -3.872) 7.569 2.769 ( 5.890 -4.605 -1.191) 7.570 2.879 ( 9.940 3.640 1.120) 10.645 2.969 ( -2.864 6.951 1.058) 7.592 3.071 ( 0.473 5.400 -1.063) 5.524 3.268 ( 2.318 -8.477 2.922) 9.262 3.314 ( 1.637 -0.783 -1.562) 2.395 3.376 ( -5.817 -0.347 -4.807) 7.554 3.501 ( 0.637 -0.081 5.763) 5.798 3.628 ( 0.558 5.599 -3.188) 6.467 3.751 ( 0.166 -2.484 -3.161) 4.023 3.833 ( 3.778 0.458 -1.350) 4.038 3.911 ( -1.820 2.189 0.371) 2.871 3.973 ( 1.329 4.554 0.487) 4.769 4.020 ( -0.442 -2.959 -5.548) 6.304 4.076 ( 6.020 -0.052 -2.129) 6.385 4.135 ( -0.489 0.281 -1.062) 1.203 4.335 ( -2.417 -1.794 -2.261) 3.765 4.375 ( 1.444 3.977 1.999) 4.679 4.402 ( 0.279 -1.285 2.622) 2.934 4.506 ( 3.599 -0.795 1.965) 4.177 4.534 ( -2.750 1.684 -0.130) 3.227 4.580 ( -1.727 1.293 -1.219) 2.478 4.688 ( -0.118 -2.352 2.735) 3.609 4.752 ( 1.140 -0.329 0.635) 1.346 4.794 ( 0.429 -0.585 3.100) 3.184 4.855 ( 6.600 -3.237 -3.719) 8.238 5.053 ( -2.738 -0.468 -0.299) 2.794 5.110 ( -2.176 2.101 -0.146) 3.028 5.162 ( -1.622 -2.767 1.166) 3.413 5.296 ( 1.189 1.260 -2.033) 2.671 5.322 ( 6.569 -2.094 3.343) 7.662 5.374 ( -0.912 3.280 -2.733) 4.366 5.497 ( -5.610 -0.097 -3.662) 6.700 5.598 ( 2.215 -0.626 7.919) 8.247 5.663 ( -0.875 -0.021 0.709) 1.126 5.724 ( 1.108 2.467 -1.305) 3.003 5.911 ( 3.663 -1.386 6.439) 7.537 5.946 ( 4.948 -2.637 5.537) 7.880 6.260 ( -5.350 1.181 2.497) 6.021 6.413 ( 1.469 -1.074 -0.759) 1.972 6.513 ( -8.000 -3.584 -1.429) 8.882 6.680 ( -2.606 -0.939 -9.904) 10.285 6.843 ( 3.027 -4.824 -1.083) 5.797 6.941 ( 5.113 -2.765 2.427) 6.299 7.011 ( -1.952 -5.866 0.162) 6.185 7.045 ( -1.634 -0.868 0.419) 1.897 7.091 ( 1.447 -5.258 2.235) 5.894 7.161 ( 1.585 -4.173 -1.091) 4.595 7.259 ( -1.341 1.275 5.241) 5.558 7.383 ( 4.223 -2.912 -8.557) 9.976 7.477 ( -4.176 2.177 -0.369) 4.724 7.532 ( -1.156 4.712 3.507) 5.987 7.754 ( 0.883 -1.207 -0.364) 1.539 7.761 ( 0.218 -3.430 -3.550) 4.941 7.802 ( -7.157 -0.179 0.557) 7.181 7.926 ( -3.340 2.610 -1.043) 4.366 7.997 ( 1.207 0.611 -1.438) 1.974 8.089 ( 3.706 2.203 3.413) 5.499 8.272 ( 1.452 1.361 2.178) 2.950 8.313 ( 0.858 -0.681 0.323) 1.142 8.382 ( -1.056 3.847 -1.628) 4.309 8.427 ( -2.656 5.608 0.507) 6.226 8.608 ( 0.629 2.496 -1.986) 3.251 8.711 ( 2.821 -0.668 5.135) 5.896 8.795 ( 0.056 1.355 -0.205) 1.371 8.840 ( 3.160 -0.646 -0.565) 3.274 12.061 ( -0.155 5.953 -0.086) 5.956 12.102 ( 2.793 8.583 -0.522) 9.041 13.233 ( -5.543 -8.779 -8.859) 13.648 13.292 ( -2.378 -10.833 1.349) 11.173 13.691 ( -5.136 0.444 0.290) 5.164 13.876 ( 1.352 -0.559 0.024) 1.463 13.925 ( 0.025 3.548 -0.549) 3.591 14.063 ( 0.772 11.321 -1.998) 11.522 14.080 ( 4.451 1.531 7.335) 8.715 14.112 ( 3.771 5.172 4.953) 8.093 14.468 ( -20.255 6.013 -1.449) 21.178 15.245 ( 17.771 -5.902 -8.483) 20.557 15.986 ( -2.091 1.349 -1.165) 2.748 16.011 ( -2.553 -0.387 -1.250) 2.868 16.042 ( 0.229 0.848 1.968) 2.155 16.073 ( 0.358 1.095 1.337) 1.765 16.178 ( -1.494 0.130 -1.890) 2.412 16.259 ( -1.907 0.510 -4.229) 4.667 16.321 ( 4.932 -0.594 5.047) 7.082 16.410 ( 5.163 -1.020 5.793) 7.826 17.646 ( -11.081 3.384 2.675) 11.891 17.800 ( -2.312 -1.859 -0.013) 2.966 17.828 ( -2.506 -0.897 -2.729) 3.812 17.972 ( 4.869 -1.218 1.523) 5.245 18.243 ( -2.358 -3.327 -1.102) 4.224 18.512 ( -1.803 -5.224 -2.448) 6.044 18.554 ( 3.886 -4.342 0.530) 5.851 18.577 ( 6.134 -5.937 -0.020) 8.536 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -7.118 8.406 17.362) 20.562 0.898 ( -12.687 -9.729 28.149) 32.372 1.636 ( 1.587 -7.413 -18.852) 20.319 1.761 ( -11.090 22.170 18.145) 30.721 1.925 ( -2.899 0.883 -0.107) 3.032 2.047 ( 2.273 2.778 -2.962) 4.654 2.099 ( -1.610 5.189 -4.975) 7.367 2.192 ( -2.743 5.514 6.279) 8.795 2.288 ( 1.326 3.091 4.485) 5.606 2.350 ( 1.090 6.031 -7.362) 9.579 2.499 ( 0.510 4.656 -3.445) 5.815 2.595 ( -0.551 3.870 -0.767) 3.983 2.663 ( -0.087 4.814 -2.878) 5.610 2.718 ( -2.911 5.100 2.418) 6.351 2.780 ( 0.767 7.786 4.490) 9.020 2.917 ( -4.899 7.550 -6.301) 10.987 2.972 ( 5.025 -0.783 -0.021) 5.085 3.162 ( 4.786 5.637 0.480) 7.411 3.223 ( 0.651 -3.063 -5.700) 6.503 3.307 ( 1.059 -4.478 -3.790) 5.961 3.369 ( 1.280 -3.306 2.342) 4.249 3.598 ( 0.916 -1.570 4.759) 5.094 3.642 ( 2.772 4.428 1.522) 5.441 3.755 ( 0.346 1.055 -1.138) 1.590 3.822 ( -2.894 -1.755 -5.640) 6.578 3.874 ( 0.061 1.971 -2.469) 3.160 3.888 ( -0.585 -3.209 -3.874) 5.064 4.021 ( 7.326 2.247 -1.639) 7.836 4.141 ( -0.689 1.829 2.388) 3.086 4.239 ( 1.800 -2.567 2.254) 3.861 4.246 ( -0.132 -1.287 -4.317) 4.507 4.376 ( -0.198 -2.361 -2.591) 3.511 4.453 ( -1.274 0.064 1.861) 2.256 4.472 ( 1.475 4.528 -0.509) 4.790 4.531 ( -1.969 0.288 -4.987) 5.370 4.576 ( 1.496 1.741 2.401) 3.321 4.665 ( -1.625 -4.893 -1.827) 5.470 4.785 ( -1.665 -0.600 0.101) 1.772 4.819 ( 0.158 0.725 -3.803) 3.874 4.879 ( -0.661 3.359 3.448) 4.859 5.040 ( -1.223 0.368 -3.338) 3.574 5.122 ( 4.747 -1.937 4.680) 6.942 5.190 ( 3.206 -2.315 1.256) 4.149 5.285 ( -1.742 0.789 0.295) 1.935 5.327 ( -0.032 0.214 -1.539) 1.555 5.453 ( 1.387 -7.414 5.674) 9.439 5.506 ( 5.671 -0.589 3.598) 6.742 5.589 ( -0.534 -1.100 -2.360) 2.658 5.659 ( -0.980 2.454 0.089) 2.644 5.848 ( 2.012 2.124 10.129) 10.543 6.008 ( 1.917 -6.428 4.240) 7.936 6.194 ( 9.003 -9.974 9.703) 16.573 6.237 ( 0.676 6.337 3.820) 7.430 6.356 ( -6.157 -1.436 -1.240) 6.442 6.418 ( 1.534 0.228 -0.964) 1.826 6.531 ( -0.327 -0.080 -8.801) 8.807 6.903 ( 1.898 -7.873 -0.866) 8.145 6.922 ( 1.199 0.224 -4.416) 4.581 6.992 ( -0.426 -5.199 0.625) 5.254 7.102 ( -1.061 -2.842 -0.270) 3.045 7.109 ( 1.947 0.443 1.885) 2.746 7.249 ( 1.548 -3.219 1.742) 3.974 7.267 ( 1.001 0.163 4.404) 4.519 7.326 ( -3.592 -3.566 -2.941) 5.854 7.414 ( -0.573 -2.418 -2.721) 3.685 7.529 ( -4.557 1.777 2.912) 5.692 7.641 ( -5.206 -1.083 0.536) 5.344 7.682 ( -0.426 -0.346 -7.397) 7.417 7.829 ( 2.709 -0.951 1.322) 3.161 7.873 ( -1.753 -0.060 -1.765) 2.489 7.994 ( -0.759 3.553 -0.759) 3.712 8.121 ( -5.250 6.429 -0.737) 8.333 8.264 ( 0.502 1.699 1.870) 2.576 8.307 ( 1.483 2.774 0.057) 3.146 8.362 ( -2.567 3.984 2.283) 5.260 8.483 ( 4.447 1.785 -0.897) 4.875 8.619 ( 1.184 0.506 1.355) 1.869 8.790 ( 1.434 -1.448 1.521) 2.543 8.832 ( 1.980 -2.629 3.556) 4.846 8.874 ( 1.850 -1.374 -2.720) 3.565 12.067 ( 0.556 7.027 0.669) 7.080 12.159 ( 5.060 11.897 -4.050) 13.548 13.008 ( -8.990 -3.712 -4.138) 10.570 13.194 ( -6.209 -8.503 -3.515) 11.100 13.661 ( -0.792 1.201 3.438) 3.727 13.889 ( 0.013 0.805 -0.372) 0.887 13.945 ( 1.349 4.830 1.620) 5.270 13.992 ( -1.869 5.359 -3.570) 6.705 14.070 ( -6.975 4.992 -2.519) 8.940 14.152 ( -7.417 8.236 -2.185) 11.297 14.459 ( 10.914 0.138 20.483) 23.209 15.373 ( 9.082 -8.152 -15.514) 19.739 15.968 ( 0.130 0.074 1.444) 1.452 15.974 ( -0.033 0.619 0.462) 0.773 16.065 ( -0.344 1.673 2.772) 3.255 16.084 ( -0.505 1.497 0.909) 1.822 16.152 ( 0.025 1.387 -1.405) 1.974 16.210 ( 0.183 0.799 -3.249) 3.351 16.361 ( -4.451 1.040 -3.013) 5.475 16.435 ( -4.941 0.271 -5.231) 7.201 17.591 ( -2.783 3.817 12.370) 13.241 17.742 ( -1.222 -1.260 -1.145) 2.095 17.785 ( 1.212 0.216 0.553) 1.350 18.070 ( 2.995 -2.215 3.005) 4.786 18.219 ( 0.519 -5.351 -1.420) 5.561 18.479 ( -3.056 -4.791 -6.557) 8.677 18.517 ( 2.802 -6.650 3.083) 7.847 18.733 ( 5.105 -6.453 -0.028) 8.228 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 7.302 14.223 9.493) 18.594 1.343 ( -1.871 -0.831 -19.069) 19.179 1.536 ( 19.980 13.088 23.806) 33.722 1.936 ( -11.947 7.958 -8.713) 16.792 1.996 ( -7.606 1.836 -7.907) 11.123 2.025 ( 4.684 3.257 -4.084) 7.016 2.206 ( -3.958 11.560 5.401) 13.359 2.247 ( -0.189 5.600 0.903) 5.676 2.475 ( -1.646 8.968 4.289) 10.076 2.508 ( 0.847 10.133 4.250) 11.021 2.614 ( 5.614 6.048 -1.476) 8.383 2.671 ( -0.827 3.800 -1.990) 4.368 2.715 ( -1.278 6.695 -0.829) 6.866 2.801 ( -3.525 2.540 -5.622) 7.106 2.953 ( 1.556 7.161 4.822) 8.773 3.006 ( -2.442 5.878 2.021) 6.678 3.114 ( -0.573 3.200 4.111) 5.241 3.205 ( 1.658 -0.053 1.871) 2.500 3.242 ( 2.619 2.421 -7.050) 7.901 3.294 ( -0.359 2.164 -3.617) 4.230 3.344 ( 0.632 -2.371 6.761) 7.192 3.474 ( -2.301 -3.894 -4.934) 6.694 3.706 ( -3.573 3.415 1.056) 5.054 3.724 ( 2.156 0.193 -1.747) 2.782 3.818 ( 2.978 2.236 -0.409) 3.747 3.844 ( -0.297 2.485 -1.385) 2.861 4.002 ( 2.354 1.111 5.137) 5.759 4.086 ( -5.601 -5.125 5.873) 9.598 4.119 ( -2.315 -1.478 -5.473) 6.123 4.186 ( 5.719 0.045 1.074) 5.819 4.237 ( 1.857 -5.381 -0.861) 5.758 4.259 ( 0.203 -0.894 -5.570) 5.645 4.422 ( -2.453 -0.407 -1.504) 2.906 4.452 ( -2.453 -1.297 -3.068) 4.136 4.533 ( 1.025 0.618 0.229) 1.219 4.540 ( -2.280 2.395 -0.865) 3.418 4.653 ( 0.824 0.961 3.623) 3.838 4.707 ( -1.397 0.251 -1.440) 2.022 4.885 ( -3.446 3.344 1.483) 5.026 4.923 ( 3.386 2.657 -2.761) 5.113 5.071 ( 1.636 0.544 4.512) 4.830 5.115 ( -2.448 -1.236 -1.170) 2.981 5.195 ( 2.459 -7.042 -0.741) 7.496 5.242 ( -1.168 -5.009 -3.506) 6.225 5.302 ( 5.660 -2.946 6.876) 9.380 5.388 ( -3.441 -2.392 -0.798) 4.266 5.521 ( -5.128 -1.693 -0.355) 5.412 5.541 ( 4.429 -2.412 -1.227) 5.190 5.694 ( 2.149 -2.635 4.531) 5.665 5.793 ( -3.740 -3.295 -4.879) 6.975 6.032 ( 2.146 -8.641 7.837) 11.861 6.096 ( 1.316 -13.623 2.214) 13.864 6.351 ( 0.752 1.643 -0.293) 1.831 6.370 ( -0.677 6.196 1.204) 6.348 6.398 ( -0.797 -3.184 -0.406) 3.308 6.494 ( 2.950 2.501 -6.442) 7.513 6.770 ( -2.327 -5.779 2.356) 6.660 6.819 ( 2.008 -2.643 -2.976) 4.458 6.990 ( -1.779 -3.635 0.510) 4.079 6.998 ( 2.061 -2.541 -0.262) 3.283 7.124 ( -0.835 -1.249 -0.591) 1.614 7.158 ( -0.827 -0.860 -3.861) 4.041 7.269 ( 0.504 1.291 6.387) 6.536 7.357 ( 0.302 -1.838 4.705) 5.060 7.387 ( 4.165 0.615 -2.385) 4.839 7.425 ( -3.420 0.783 -3.757) 5.141 7.611 ( -4.213 0.938 2.483) 4.980 7.666 ( 5.580 -2.103 -3.065) 6.705 7.861 ( -0.213 1.940 0.068) 1.953 7.876 ( -0.041 2.180 -1.650) 2.734 8.088 ( -1.861 6.311 2.430) 7.014 8.146 ( 0.291 5.662 -3.271) 6.545 8.356 ( 2.111 0.368 1.247) 2.479 8.368 ( -2.090 2.413 0.727) 3.274 8.397 ( -0.428 1.044 5.996) 6.101 8.508 ( -2.788 2.013 -4.774) 5.883 8.723 ( 1.746 2.326 2.360) 3.745 8.768 ( -0.370 -0.169 -2.256) 2.292 8.792 ( -1.910 -2.525 3.927) 5.044 8.853 ( 2.333 -1.145 -2.207) 3.410 12.263 ( -0.530 8.130 3.881) 9.024 12.369 ( 1.258 8.399 -7.682) 11.451 12.886 ( 2.549 -4.034 1.747) 5.082 12.920 ( -2.832 -7.043 -1.838) 7.810 13.760 ( 3.386 1.984 4.016) 5.615 13.843 ( -4.796 1.462 -4.315) 6.615 13.984 ( 0.569 1.307 0.919) 1.696 14.014 ( -1.459 1.215 -1.605) 2.486 14.177 ( -8.398 10.773 6.722) 15.224 14.299 ( 8.065 14.132 -5.999) 17.341 14.862 ( 11.447 2.936 12.025) 16.860 15.072 ( -8.067 -9.811 -9.740) 16.006 16.006 ( 1.919 -0.058 2.473) 3.131 16.054 ( -2.058 -0.531 -1.566) 2.640 16.073 ( 4.036 1.183 3.155) 5.258 16.134 ( -0.055 0.960 0.899) 1.317 16.165 ( -2.015 1.236 0.184) 2.371 16.204 ( -0.431 1.449 3.172) 3.514 16.262 ( -4.436 2.730 -6.808) 8.572 16.276 ( -2.326 1.266 -4.170) 4.940 17.697 ( -0.536 2.616 1.138) 2.903 17.707 ( -0.110 0.581 -0.082) 0.597 18.000 ( 9.392 -1.156 6.694) 11.591 18.047 ( 1.186 -2.829 2.747) 4.118 18.091 ( 0.151 -6.423 -1.649) 6.633 18.177 ( -8.190 -6.583 -7.471) 12.893 18.518 ( 5.767 -8.063 1.007) 9.964 18.532 ( -3.780 -10.635 -0.488) 11.297 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 3.728 -3.634 -18.565) 19.281 1.313 ( 9.107 12.771 8.110) 17.658 1.464 ( -9.508 9.595 -22.203) 25.989 1.828 ( -8.535 -0.270 0.022) 8.540 2.069 ( 7.183 10.374 10.763) 16.585 2.094 ( 3.102 2.915 6.137) 7.469 2.162 ( -2.196 8.319 0.636) 8.627 2.273 ( 1.226 6.655 4.604) 8.184 2.486 ( -2.633 4.798 -3.249) 6.365 2.510 ( -1.262 6.830 0.350) 6.954 2.589 ( 3.236 7.022 -2.925) 8.266 2.685 ( -5.428 4.553 -2.136) 7.400 2.764 ( 6.343 6.098 0.425) 8.809 2.819 ( 4.881 3.226 9.145) 10.856 2.916 ( -5.479 6.267 0.650) 8.350 2.970 ( -2.376 4.499 -0.365) 5.101 3.086 ( -4.619 -0.273 2.276) 5.156 3.192 ( -0.158 1.242 -1.969) 2.334 3.229 ( -4.007 1.429 -1.698) 4.581 3.295 ( 3.516 4.717 -1.454) 6.060 3.336 ( 2.751 1.221 -1.550) 3.385 3.556 ( -0.155 -2.192 3.735) 4.333 3.654 ( 2.103 0.469 1.660) 2.720 3.779 ( 2.323 2.097 0.331) 3.147 3.797 ( -0.484 2.700 -2.908) 3.997 3.870 ( 2.743 1.260 -1.306) 3.289 3.996 ( -3.630 3.149 -5.654) 7.420 4.020 ( -7.650 1.830 1.673) 8.042 4.094 ( 1.187 -1.845 4.421) 4.935 4.134 ( -5.004 -4.751 -0.387) 6.911 4.265 ( 3.204 0.070 -3.231) 4.551 4.303 ( 6.062 -1.914 0.196) 6.360 4.443 ( -0.824 0.024 2.317) 2.459 4.457 ( 1.957 -0.654 1.936) 2.829 4.488 ( 0.419 -0.698 3.738) 3.826 4.556 ( 0.563 0.976 0.281) 1.161 4.658 ( -1.501 1.410 -0.438) 2.106 4.738 ( 2.723 -0.378 1.347) 3.062 4.821 ( -4.061 1.542 0.061) 4.345 4.992 ( 4.631 4.324 1.265) 6.462 5.051 ( -3.874 -0.592 -2.949) 4.904 5.118 ( -0.626 -3.494 0.916) 3.666 5.167 ( -0.565 -0.129 -0.246) 0.630 5.241 ( -2.617 -2.719 -2.386) 4.465 5.319 ( 5.070 -7.464 -1.888) 9.218 5.373 ( -6.118 -2.455 1.535) 6.769 5.501 ( 4.647 -1.027 2.649) 5.447 5.581 ( -0.059 -2.539 -1.613) 3.009 5.659 ( -4.972 -0.019 -3.633) 6.158 5.775 ( -0.951 -8.593 6.095) 10.578 5.986 ( -4.108 -6.710 -5.642) 9.682 6.106 ( -1.849 -11.499 0.671) 11.666 6.308 ( -0.676 1.194 -3.467) 3.729 6.384 ( -1.290 -0.604 3.554) 3.829 6.427 ( 2.588 0.014 1.400) 2.942 6.489 ( 1.185 7.787 -5.085) 9.375 6.745 ( -1.838 -5.437 2.223) 6.155 6.875 ( 4.868 -1.045 -2.086) 5.398 6.931 ( -2.956 -3.461 -0.479) 4.577 7.032 ( 0.268 -3.395 0.257) 3.415 7.120 ( -0.532 -2.955 3.938) 4.952 7.161 ( 0.737 -1.388 -2.012) 2.553 7.272 ( -1.188 -0.105 -1.387) 1.829 7.336 ( -2.477 -1.110 -3.188) 4.187 7.442 ( 5.106 1.279 -4.415) 6.871 7.451 ( 3.761 -1.982 5.896) 7.269 7.589 ( 0.668 0.117 1.895) 2.012 7.722 ( 2.036 1.378 -5.043) 5.610 7.834 ( 1.070 1.768 1.368) 2.478 7.876 ( 0.358 1.530 0.233) 1.588 8.051 ( -3.002 3.318 2.033) 4.915 8.223 ( 4.550 4.847 -0.341) 6.657 8.324 ( -0.446 2.213 0.979) 2.461 8.364 ( -3.454 2.166 -0.645) 4.128 8.432 ( -0.161 -0.160 0.382) 0.444 8.476 ( -0.100 3.099 5.283) 6.126 8.655 ( -4.608 -0.578 -1.274) 4.816 8.770 ( -2.409 -1.502 1.541) 3.230 8.808 ( 1.924 1.477 -0.592) 2.497 8.885 ( 2.785 1.407 -2.560) 4.036 12.266 ( -3.112 7.734 2.825) 8.802 12.290 ( -2.115 9.333 -3.629) 10.235 12.889 ( 0.787 -6.316 0.035) 6.365 13.007 ( 7.592 -7.079 0.121) 10.381 13.720 ( -2.509 0.393 -2.046) 3.261 13.899 ( 0.769 1.683 2.599) 3.191 13.961 ( 1.851 -0.498 2.257) 2.961 14.026 ( -2.205 2.660 1.837) 3.913 14.143 ( 3.065 8.031 6.497) 10.775 14.437 ( 10.285 17.192 -6.079) 20.936 14.729 ( -15.097 -8.487 -13.941) 22.233 15.100 ( 3.349 4.715 7.565) 9.522 15.972 ( -2.277 -0.353 -0.683) 2.403 16.020 ( -3.193 -0.002 -3.359) 4.634 16.083 ( 0.335 0.616 1.803) 1.935 16.134 ( -0.269 0.395 2.924) 2.963 16.174 ( -0.806 0.845 -1.795) 2.141 16.200 ( -0.069 1.730 -0.680) 1.860 16.314 ( 6.602 1.761 6.454) 9.399 16.340 ( 6.139 0.896 3.731) 7.240 17.694 ( -1.519 -1.367 1.474) 2.520 17.740 ( 2.817 1.496 -0.013) 3.189 17.846 ( -9.239 -3.150 -7.209) 12.134 18.040 ( -2.704 -7.679 -1.499) 8.277 18.073 ( -1.841 -6.858 -0.693) 7.135 18.302 ( 9.861 0.171 4.896) 11.010 18.384 ( -6.477 -10.470 -0.600) 12.325 18.622 ( 2.055 -5.397 -2.213) 6.184 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 14.479 -8.974 -16.710) 23.862 1.357 ( 14.721 10.582 -3.191) 18.408 1.460 ( -5.653 8.807 1.577) 10.583 1.743 ( 2.722 -0.814 3.710) 4.673 2.034 ( -3.215 1.379 6.467) 7.353 2.164 ( 1.522 4.388 -2.399) 5.228 2.246 ( -1.488 9.765 6.322) 11.728 2.351 ( 0.002 0.334 2.235) 2.260 2.421 ( -3.430 1.715 -3.970) 5.519 2.462 ( -1.286 11.813 -0.620) 11.899 2.552 ( -7.106 1.091 0.210) 7.192 2.624 ( -0.103 7.049 1.283) 7.165 2.788 ( 0.593 7.475 0.196) 7.501 2.804 ( -4.236 3.304 -3.221) 6.264 2.930 ( 1.843 4.185 -1.190) 4.725 3.009 ( -5.221 4.636 -1.695) 7.185 3.096 ( 5.103 1.254 3.893) 6.540 3.128 ( -2.587 -1.745 -1.037) 3.288 3.205 ( 0.105 -1.115 -0.745) 1.345 3.272 ( -2.318 5.596 -3.421) 6.957 3.383 ( 3.763 1.311 1.868) 4.401 3.507 ( -5.132 2.609 5.183) 7.746 3.730 ( -0.830 3.598 -5.309) 6.467 3.775 ( 1.244 0.428 3.636) 3.867 3.803 ( 0.779 1.006 -3.881) 4.084 3.867 ( -1.603 2.034 0.206) 2.598 3.938 ( 4.320 3.483 6.628) 8.644 4.005 ( 3.826 2.388 -0.434) 4.532 4.071 ( -5.899 -0.207 -0.316) 5.911 4.134 ( 2.438 -0.847 2.067) 3.307 4.266 ( 1.612 -0.662 -3.916) 4.286 4.404 ( 2.178 0.077 0.354) 2.208 4.443 ( 0.080 -0.497 0.558) 0.751 4.469 ( -2.386 -1.518 4.120) 4.997 4.568 ( 2.029 0.204 1.131) 2.332 4.590 ( -1.387 3.481 0.889) 3.851 4.639 ( 3.662 -0.666 0.645) 3.778 4.756 ( -0.511 -2.536 -3.016) 3.973 4.786 ( -1.006 2.815 2.212) 3.719 4.870 ( -8.363 -1.725 -5.133) 9.963 5.066 ( -0.336 -1.724 -4.361) 4.702 5.115 ( 2.752 2.848 4.490) 5.987 5.145 ( 2.321 -1.194 0.832) 2.739 5.278 ( -4.565 0.285 5.854) 7.429 5.318 ( 2.604 0.248 -0.454) 2.655 5.402 ( 3.922 -6.815 -1.525) 8.009 5.441 ( -6.315 3.126 -3.335) 7.796 5.576 ( 4.180 -3.454 -0.105) 5.423 5.660 ( 0.337 -1.926 3.537) 4.041 5.702 ( -7.096 -7.918 -1.909) 10.803 5.930 ( 1.351 -2.499 -2.894) 4.056 6.059 ( -1.534 -5.082 -5.270) 7.480 6.303 ( 2.428 -1.237 2.307) 3.571 6.354 ( -2.413 -0.664 -1.325) 2.832 6.423 ( 0.292 -0.211 -3.885) 3.902 6.544 ( 1.472 3.866 6.408) 7.627 6.749 ( 0.069 -4.267 1.711) 4.598 6.869 ( -2.695 -1.814 1.121) 3.436 6.948 ( 4.133 -3.019 -3.422) 6.157 7.017 ( -4.095 -4.006 3.700) 6.820 7.072 ( -4.880 -5.790 -7.864) 10.917 7.166 ( -0.792 -2.614 -0.605) 2.798 7.169 ( 0.439 -0.567 -0.225) 0.752 7.344 ( 2.355 -1.387 -2.008) 3.391 7.503 ( 3.870 3.629 0.260) 5.312 7.592 ( 0.018 -2.128 1.345) 2.518 7.603 ( 5.644 -2.977 2.017) 6.693 7.752 ( 2.522 -0.157 -2.767) 3.747 7.848 ( 3.201 3.450 0.836) 4.780 7.954 ( 4.194 1.620 1.361) 4.697 7.999 ( -4.441 2.917 2.692) 5.957 8.196 ( -3.370 1.425 -3.402) 4.996 8.286 ( -2.774 -1.511 -0.899) 3.284 8.371 ( -4.899 0.578 -1.586) 5.182 8.423 ( 3.412 4.677 3.528) 6.780 8.520 ( 1.115 4.267 2.155) 4.908 8.607 ( -1.950 1.841 3.933) 4.760 8.736 ( -1.348 -0.987 -1.071) 1.985 8.822 ( 0.202 2.613 0.053) 2.621 8.892 ( 1.373 3.595 -3.625) 5.287 12.221 ( -1.346 8.586 -0.569) 8.710 12.244 ( -2.210 7.626 0.571) 7.960 12.940 ( 2.015 -8.634 4.083) 9.761 13.120 ( 5.304 -9.514 -2.660) 11.212 13.700 ( 1.862 -0.710 -0.831) 2.159 13.873 ( -2.564 -0.390 1.103) 2.818 13.958 ( -2.536 1.584 0.776) 3.089 14.092 ( 2.358 4.365 6.105) 7.867 14.301 ( -15.176 -4.767 -10.896) 19.280 14.407 ( 13.745 5.978 7.083) 16.578 14.527 ( 6.898 15.246 -6.450) 17.934 15.135 ( -4.262 7.119 1.650) 8.460 15.961 ( 0.452 -0.990 1.434) 1.800 15.977 ( 0.674 -0.415 -0.309) 0.850 16.098 ( -0.574 0.635 1.893) 2.077 16.134 ( -0.009 1.313 -3.139) 3.403 16.167 ( -1.049 -0.494 4.579) 4.723 16.189 ( 0.189 0.565 -1.347) 1.473 16.380 ( -2.254 -0.256 -2.378) 3.287 16.445 ( -0.830 -0.543 -0.108) 0.998 17.628 ( -1.845 -6.487 3.223) 7.475 17.786 ( 3.315 1.293 -0.452) 3.586 17.799 ( 3.150 -0.412 -1.118) 3.368 17.966 ( -3.817 -3.067 -1.697) 5.182 18.076 ( 2.657 -10.254 3.575) 11.180 18.304 ( -2.262 -8.735 3.438) 9.656 18.479 ( 5.604 -1.037 -0.401) 5.713 18.546 ( -5.702 -2.472 -5.505) 8.302 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -14.555 4.513 -1.198) 15.286 1.332 ( 18.614 -8.496 -12.800) 24.135 1.815 ( 22.206 2.560 8.225) 23.818 1.868 ( -2.738 2.837 2.245) 4.537 2.066 ( -5.676 1.378 3.250) 6.684 2.133 ( -0.557 3.438 -3.024) 4.612 2.225 ( -0.026 2.322 -2.406) 3.344 2.251 ( -3.064 6.336 2.022) 7.322 2.344 ( -7.842 6.499 1.837) 10.349 2.375 ( -4.056 6.432 -5.659) 9.479 2.513 ( 4.652 0.906 7.749) 9.084 2.668 ( -3.967 5.800 -4.826) 8.524 2.735 ( 4.265 6.176 5.798) 9.484 2.823 ( -4.549 7.443 -4.456) 9.795 2.840 ( 1.419 8.857 0.583) 8.988 2.921 ( 0.915 7.521 -5.164) 9.169 3.054 ( -3.629 -5.718 2.572) 7.244 3.096 ( -1.979 -0.888 -2.353) 3.200 3.204 ( -1.632 0.677 2.707) 3.233 3.252 ( 0.624 -2.193 -1.579) 2.773 3.514 ( 4.574 7.304 2.104) 8.872 3.529 ( -1.803 3.924 7.778) 8.897 3.643 ( 1.623 2.613 -4.702) 5.618 3.761 ( -0.490 -1.312 -6.786) 6.929 3.835 ( 1.412 3.332 3.034) 4.722 3.905 ( -3.816 2.445 -4.541) 6.415 3.936 ( 1.687 -3.884 7.506) 8.618 4.035 ( 0.739 1.375 -1.459) 2.137 4.147 ( 5.148 4.888 3.840) 8.071 4.182 ( 1.224 2.785 -1.026) 3.210 4.297 ( -0.083 -1.658 2.829) 3.280 4.375 ( -1.260 -0.433 -4.047) 4.261 4.404 ( -3.256 -0.032 2.680) 4.218 4.501 ( 1.376 1.184 -4.257) 4.628 4.537 ( 3.898 -1.268 3.136) 5.161 4.583 ( -6.900 -2.341 -2.554) 7.721 4.684 ( -0.972 -2.150 0.458) 2.403 4.722 ( -0.072 3.870 3.027) 4.914 4.742 ( 3.320 -2.132 -2.740) 4.804 4.789 ( -0.779 3.477 -1.736) 3.963 5.125 ( 5.279 -1.422 1.957) 5.807 5.153 ( -3.435 -0.126 4.533) 5.689 5.187 ( -6.337 -0.617 -2.250) 6.752 5.224 ( 0.682 -0.982 -0.233) 1.218 5.285 ( 3.246 -0.481 0.239) 3.290 5.354 ( 0.537 2.907 -6.694) 7.318 5.505 ( 0.151 -1.699 7.634) 7.822 5.616 ( 0.718 -2.214 -1.754) 2.914 5.658 ( -1.777 -3.123 2.387) 4.314 5.676 ( 2.205 -4.062 1.742) 4.939 5.899 ( -1.302 0.946 -2.378) 2.871 5.941 ( -3.024 1.278 -6.720) 7.479 6.312 ( -2.579 -0.497 2.693) 3.762 6.371 ( 1.315 -0.815 -3.484) 3.812 6.489 ( 6.959 -6.251 7.494) 11.986 6.578 ( -2.440 -0.637 0.302) 2.540 6.754 ( 0.587 -3.288 -0.449) 3.370 6.803 ( -2.963 -7.648 -5.921) 10.116 6.934 ( 0.098 -3.271 2.420) 4.070 6.971 ( -1.134 -4.166 -3.017) 5.267 7.017 ( -0.043 -0.661 3.079) 3.150 7.143 ( 3.178 -1.082 -7.387) 8.114 7.223 ( 0.375 -1.674 5.389) 5.655 7.332 ( 0.474 -2.732 -4.689) 5.448 7.565 ( -1.429 3.278 4.564) 5.798 7.608 ( 1.368 -1.085 -0.789) 1.916 7.679 ( 0.833 -3.334 0.516) 3.475 7.723 ( -0.442 -1.022 -3.823) 3.982 7.934 ( -2.481 2.645 4.178) 5.533 7.981 ( 3.616 3.108 -0.104) 4.770 8.038 ( 2.794 2.295 2.450) 4.368 8.090 ( -3.789 1.053 -3.229) 5.089 8.243 ( 0.716 -0.109 -0.412) 0.833 8.258 ( -3.351 -0.437 -1.917) 3.885 8.500 ( 0.737 2.088 3.186) 3.880 8.548 ( -0.061 3.289 -1.179) 3.494 8.625 ( -1.444 3.514 6.406) 7.448 8.712 ( 1.113 2.046 -2.896) 3.716 8.824 ( -0.612 3.184 1.222) 3.465 8.872 ( 0.532 3.792 -3.628) 5.275 12.207 ( -1.206 7.308 0.879) 7.458 12.226 ( 1.585 8.361 -1.095) 8.580 13.022 ( 0.727 -11.391 6.018) 12.903 13.137 ( 0.956 -11.057 -5.829) 12.536 13.768 ( 3.574 -1.233 1.854) 4.211 13.816 ( -3.281 -0.877 -2.569) 4.259 13.943 ( 0.027 0.501 2.288) 2.342 14.006 ( -4.810 -2.045 -4.969) 7.212 14.205 ( -1.150 9.724 12.042) 15.521 14.447 ( 1.415 17.753 -12.724) 21.888 14.835 ( 15.488 -2.032 8.928) 17.992 14.972 ( -11.506 9.323 -5.400) 15.763 16.005 ( 1.504 -0.039 3.252) 3.584 16.030 ( 2.561 -0.237 3.211) 4.115 16.080 ( -1.881 0.842 -3.593) 4.142 16.089 ( -1.407 1.041 -2.345) 2.926 16.186 ( -0.086 -0.631 1.783) 1.893 16.227 ( 1.418 -2.049 6.444) 6.909 16.253 ( -3.127 -1.515 -4.172) 5.429 16.348 ( -3.399 -1.794 -5.474) 6.688 17.711 ( 1.936 -4.635 6.498) 8.213 17.822 ( 1.191 -0.930 -4.843) 5.073 17.852 ( 2.884 -1.160 1.113) 3.302 17.873 ( -3.674 -0.475 -1.047) 3.850 18.228 ( 7.864 -7.629 5.374) 12.203 18.333 ( -6.512 -3.033 -3.134) 7.838 18.365 ( -1.232 -7.133 4.611) 8.582 18.503 ( 0.856 -3.299 -6.535) 7.370 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -10.825 7.394 1.285) 13.172 1.427 ( -25.949 11.230 -9.578) 29.853 1.569 ( 15.598 -4.364 -9.611) 18.833 1.894 ( -1.830 -4.073 -10.061) 11.007 2.082 ( -1.838 5.734 3.628) 7.030 2.149 ( -1.638 -0.613 -4.211) 4.560 2.248 ( -5.371 14.835 4.853) 16.506 2.268 ( -0.162 3.376 9.307) 9.901 2.343 ( 6.262 4.794 6.060) 9.946 2.459 ( 6.628 10.901 1.994) 12.913 2.548 ( 3.496 -2.349 -4.198) 5.947 2.690 ( 0.942 3.163 0.771) 3.389 2.740 ( 4.714 5.542 0.095) 7.276 2.842 ( 0.582 10.833 0.062) 10.848 2.877 ( 0.611 7.573 -0.443) 7.610 2.996 ( 8.471 3.578 -0.482) 9.209 3.002 ( -7.573 1.252 6.195) 9.864 3.096 ( 3.547 -6.622 4.963) 9.004 3.214 ( -0.999 6.540 2.478) 7.064 3.243 ( 1.373 -4.821 -2.740) 5.712 3.438 ( -6.397 4.231 -2.147) 7.964 3.601 ( -0.429 9.485 2.025) 9.709 3.679 ( 5.012 0.733 -5.668) 7.601 3.722 ( 2.259 -0.742 1.314) 2.717 3.832 ( -1.258 0.900 -1.338) 2.045 3.918 ( -1.283 -1.733 0.689) 2.263 3.987 ( -1.533 -2.768 2.130) 3.814 4.000 ( 2.116 0.709 -2.272) 3.185 4.115 ( -2.642 2.784 -4.169) 5.667 4.170 ( 0.160 3.258 -3.891) 5.077 4.247 ( -3.899 -4.590 -0.241) 6.028 4.394 ( 0.531 0.175 0.512) 0.758 4.438 ( 0.920 0.492 2.577) 2.780 4.502 ( 3.468 0.090 3.729) 5.093 4.535 ( 2.250 -1.721 -1.306) 3.119 4.629 ( -1.027 2.794 0.493) 3.017 4.647 ( -2.883 -1.412 -0.880) 3.329 4.736 ( 0.651 -1.138 -2.510) 2.832 4.788 ( 6.595 1.148 3.250) 7.441 4.823 ( 3.499 1.341 -0.831) 3.838 5.015 ( -6.608 -3.043 0.187) 7.278 5.121 ( -5.413 0.317 1.524) 5.633 5.186 ( -0.324 2.712 0.662) 2.811 5.268 ( 4.758 -2.887 1.220) 5.698 5.302 ( 3.020 -0.172 -0.029) 3.025 5.422 ( 1.994 0.942 -1.859) 2.885 5.501 ( -7.982 0.787 -6.574) 10.371 5.554 ( 0.340 -4.680 3.880) 6.089 5.642 ( 2.658 -2.845 0.373) 3.911 5.727 ( -0.087 -2.568 -0.390) 2.598 5.894 ( 0.092 -0.625 1.470) 1.600 5.908 ( 1.063 0.172 6.348) 6.439 6.293 ( -2.709 1.213 3.865) 4.873 6.381 ( 2.195 -2.590 -1.522) 3.720 6.433 ( -4.261 -3.507 -6.026) 8.172 6.648 ( 1.167 -1.750 -3.397) 3.995 6.765 ( 1.223 -3.120 -0.366) 3.372 6.855 ( 8.113 -4.942 6.393) 11.451 6.895 ( -3.020 -5.214 0.700) 6.066 6.971 ( 1.101 -3.617 -0.948) 3.898 7.067 ( 2.025 0.065 2.130) 2.940 7.119 ( 1.633 0.470 -6.088) 6.321 7.262 ( -1.643 -0.975 4.028) 4.458 7.300 ( 1.375 -4.920 -5.278) 7.345 7.493 ( -7.303 -1.214 1.468) 7.547 7.612 ( -0.445 2.507 -0.583) 2.612 7.663 ( -2.082 -4.987 -2.600) 5.997 7.711 ( -0.398 -2.313 1.017) 2.557 7.859 ( -4.664 5.469 0.266) 7.192 7.982 ( -3.159 2.898 -2.153) 4.797 8.042 ( 1.828 2.105 -1.384) 3.112 8.124 ( 2.629 2.485 3.395) 4.961 8.266 ( 3.284 -2.350 0.794) 4.116 8.321 ( 4.999 2.192 3.363) 6.411 8.481 ( -4.591 4.257 -1.979) 6.566 8.518 ( -0.593 3.536 1.836) 4.028 8.673 ( 0.300 3.347 2.366) 4.110 8.706 ( 1.313 0.862 -2.245) 2.740 8.830 ( -0.318 0.682 1.965) 2.104 8.847 ( -0.175 2.961 -2.150) 3.664 12.202 ( -0.005 7.705 0.858) 7.752 12.274 ( 4.774 8.127 -1.852) 9.605 13.039 ( -3.269 -10.595 -3.590) 11.654 13.066 ( -2.506 -11.170 0.498) 11.459 13.699 ( -3.103 0.541 -0.871) 3.268 13.872 ( 2.815 -0.109 1.151) 3.043 13.965 ( 0.891 0.290 -0.039) 0.937 14.058 ( 6.354 -2.159 6.700) 9.483 14.279 ( -4.194 11.486 11.284) 16.639 14.336 ( 1.269 14.333 -9.841) 17.433 14.639 ( -14.098 10.494 -10.450) 20.447 15.123 ( 8.434 -5.676 2.998) 10.599 16.004 ( -2.163 0.451 -2.978) 3.708 16.007 ( -1.700 0.082 -3.203) 3.627 16.061 ( 0.055 0.742 3.734) 3.808 16.093 ( 0.563 0.625 2.281) 2.431 16.173 ( -0.881 -0.683 0.619) 1.276 16.258 ( -0.822 -1.032 -3.588) 3.823 16.306 ( 5.253 -0.864 4.030) 6.677 16.381 ( 5.796 -1.850 6.024) 8.562 17.719 ( -4.092 2.572 -4.964) 6.928 17.761 ( -1.827 -1.294 2.670) 3.485 17.803 ( -1.779 -1.200 -2.724) 3.468 17.934 ( 3.481 -2.637 1.621) 4.658 18.160 ( -4.320 -4.405 -4.719) 7.768 18.410 ( -1.032 -5.048 -6.412) 8.226 18.425 ( 1.324 -8.210 4.595) 9.501 18.444 ( 4.710 -6.643 4.458) 9.284 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.877 13.748 5.548) 14.852 1.115 ( -2.034 16.512 12.282) 20.680 1.562 ( -1.642 0.914 -15.772) 15.883 1.892 ( 9.133 -3.412 -5.847) 11.369 2.052 ( -3.782 5.339 1.922) 6.819 2.132 ( -0.155 2.265 2.531) 3.399 2.224 ( -2.188 12.503 5.527) 13.844 2.321 ( -2.483 8.854 1.344) 9.293 2.415 ( 1.373 7.270 3.749) 8.294 2.533 ( 1.214 10.486 -4.387) 11.432 2.598 ( -2.239 3.125 -2.944) 4.842 2.650 ( 0.389 3.837 0.940) 3.969 2.795 ( 0.220 6.621 -4.783) 8.171 2.853 ( -2.404 6.314 3.152) 7.455 2.892 ( 5.137 0.955 0.171) 5.228 3.011 ( -1.229 7.377 7.420) 10.535 3.078 ( -1.368 2.498 -4.544) 5.363 3.112 ( 2.412 -1.708 2.444) 3.835 3.246 ( 1.725 0.994 3.129) 3.709 3.274 ( 1.908 1.268 -2.948) 3.734 3.357 ( -0.638 1.500 -1.348) 2.115 3.576 ( -3.931 2.471 2.476) 5.262 3.699 ( 1.470 -1.446 -3.656) 4.198 3.773 ( -2.077 2.017 -0.677) 2.973 3.828 ( -1.985 -0.396 0.498) 2.085 3.841 ( 2.241 1.913 -1.397) 3.261 3.932 ( -2.017 2.440 0.423) 3.194 4.036 ( 7.153 2.335 -2.198) 7.839 4.107 ( -0.883 -5.269 1.778) 5.631 4.188 ( 2.327 -4.043 1.236) 4.826 4.208 ( -0.029 -2.665 -4.078) 4.871 4.352 ( -3.850 -0.596 -2.993) 4.913 4.465 ( 0.844 0.957 -0.906) 1.565 4.535 ( -2.046 1.088 -5.106) 5.607 4.556 ( -0.222 -4.880 -1.762) 5.193 4.575 ( -1.408 3.599 -2.168) 4.431 4.608 ( 0.377 1.866 4.456) 4.845 4.746 ( -0.854 -1.770 0.121) 1.969 4.843 ( 3.430 1.988 -2.904) 4.914 4.942 ( 1.208 2.479 6.128) 6.720 4.993 ( 0.127 -3.434 4.062) 5.320 5.111 ( 3.724 -1.442 4.154) 5.762 5.174 ( 0.515 1.809 -5.022) 5.363 5.268 ( -7.565 -4.963 -2.801) 9.472 5.290 ( -1.561 -0.915 -0.874) 2.009 5.378 ( 2.410 -0.142 1.068) 2.640 5.481 ( 1.368 -2.849 5.057) 5.963 5.558 ( 2.169 -3.210 0.119) 3.876 5.669 ( -1.662 -0.660 -3.741) 4.146 5.825 ( 8.156 -6.980 6.876) 12.748 5.884 ( -1.686 -3.243 -1.573) 3.979 6.019 ( 1.279 -5.850 8.523) 10.416 6.291 ( 1.804 -1.838 0.040) 2.575 6.379 ( -0.010 4.683 1.540) 4.930 6.403 ( 0.632 -2.247 -0.318) 2.356 6.563 ( -2.434 3.060 -7.213) 8.205 6.775 ( 0.346 -4.880 -0.470) 4.915 6.858 ( -2.693 -5.239 0.112) 5.892 6.947 ( 3.131 -0.791 -2.895) 4.338 7.033 ( -1.765 -3.782 1.399) 4.402 7.117 ( 3.049 -1.089 1.565) 3.596 7.189 ( 6.528 -0.138 5.490) 8.530 7.231 ( -1.113 -4.772 -4.685) 6.779 7.257 ( -3.181 -1.621 2.409) 4.307 7.398 ( -3.372 -0.281 0.871) 3.494 7.554 ( -4.832 -0.688 -3.781) 6.174 7.621 ( 0.642 -0.519 -0.601) 1.021 7.665 ( -2.456 -0.444 -0.300) 2.513 7.846 ( 1.558 3.205 -0.418) 3.588 7.901 ( -2.400 3.237 -1.591) 4.333 8.073 ( 1.678 3.572 -0.389) 3.966 8.198 ( 0.331 1.762 2.666) 3.213 8.319 ( 1.446 0.286 1.646) 2.210 8.349 ( -3.798 4.955 -0.544) 6.267 8.425 ( -1.188 1.707 1.466) 2.545 8.558 ( 3.877 5.174 -2.068) 6.788 8.647 ( -0.203 1.904 -0.428) 1.962 8.751 ( 0.836 -1.758 4.006) 4.454 8.818 ( -0.885 -0.263 -1.801) 2.024 8.846 ( 0.048 -0.453 0.732) 0.862 12.226 ( 0.875 8.268 2.184) 8.596 12.352 ( 6.665 7.525 -5.178) 11.308 12.915 ( -4.315 -5.494 -2.957) 7.586 13.008 ( -4.828 -9.754 0.308) 10.888 13.686 ( 1.226 1.405 1.205) 2.220 13.920 ( 1.783 1.577 0.025) 2.381 13.990 ( -0.713 0.643 0.571) 1.117 14.072 ( -3.570 2.514 -3.640) 5.685 14.253 ( -7.214 11.763 2.602) 14.042 14.347 ( -5.951 10.502 -3.375) 12.534 14.500 ( 13.875 4.952 8.852) 17.187 15.202 ( 0.442 -8.368 -3.197) 8.969 15.964 ( 0.199 0.169 -0.196) 0.326 15.993 ( 2.223 1.014 -0.636) 2.525 16.085 ( -1.507 0.037 3.029) 3.383 16.110 ( -0.177 0.905 1.774) 1.999 16.175 ( 0.211 0.723 0.616) 0.973 16.216 ( -0.173 -0.333 -3.065) 3.088 16.379 ( -1.791 0.633 -1.137) 2.214 16.438 ( -3.316 -0.099 -3.625) 4.913 17.687 ( 1.384 4.534 4.119) 6.280 17.725 ( -2.025 0.574 -0.678) 2.211 17.778 ( 3.442 -0.677 -1.008) 3.650 18.006 ( 2.201 -4.224 2.115) 5.211 18.088 ( 0.580 -6.933 -2.288) 7.323 18.364 ( -3.499 -6.175 -1.968) 7.366 18.395 ( 1.653 -5.880 -1.663) 6.330 18.570 ( 1.024 -9.406 3.245) 10.002 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 6.577 20.932 -3.729) 22.256 1.467 ( -4.667 14.858 -6.433) 16.850 1.830 ( 18.647 16.177 16.454) 29.667 2.008 ( 4.688 0.600 -0.647) 4.771 2.062 ( -4.074 4.389 -4.733) 7.633 2.128 ( -7.987 7.006 -8.923) 13.874 2.346 ( -3.519 4.823 -0.154) 5.972 2.384 ( -4.779 5.151 -2.822) 7.572 2.590 ( -2.404 0.005 5.033) 5.577 2.606 ( 7.302 -5.868 4.378) 10.341 2.693 ( -0.310 3.562 -1.011) 3.716 2.708 ( -6.642 0.560 -1.283) 6.787 2.805 ( 0.423 4.745 -0.011) 4.764 2.893 ( 1.367 4.462 -5.947) 7.559 3.003 ( -1.317 -10.827 8.168) 13.626 3.065 ( -0.475 7.889 4.345) 9.019 3.126 ( 0.149 6.015 -1.916) 6.315 3.181 ( 0.374 -6.221 -7.613) 9.838 3.285 ( 1.398 1.142 9.178) 9.354 3.351 ( -2.167 9.216 5.206) 10.804 3.442 ( 4.097 6.564 -3.669) 8.563 3.457 ( -5.264 1.642 -7.422) 9.246 3.761 ( 2.683 1.373 3.410) 4.551 3.793 ( -2.828 1.601 1.041) 3.413 3.838 ( 0.020 2.989 3.036) 4.260 3.873 ( 1.509 -1.375 0.377) 2.076 3.977 ( -4.967 -2.588 2.903) 6.308 4.017 ( 1.608 -4.647 -0.009) 4.917 4.028 ( 0.136 -1.979 0.310) 2.008 4.102 ( 2.432 -5.705 -4.256) 7.521 4.232 ( 2.874 1.337 0.777) 3.264 4.270 ( -0.239 1.626 -2.111) 2.675 4.394 ( 0.796 -0.555 0.663) 1.175 4.457 ( -3.643 1.901 -5.792) 7.102 4.550 ( 1.350 1.598 0.128) 2.096 4.583 ( -1.728 1.806 -2.521) 3.550 4.683 ( 0.632 1.604 2.634) 3.148 4.732 ( -0.772 2.192 -2.325) 3.287 4.948 ( -2.571 0.859 0.282) 2.725 4.953 ( 1.997 -1.566 -1.170) 2.794 5.058 ( 2.847 -0.506 6.169) 6.813 5.095 ( -0.389 1.272 0.407) 1.391 5.150 ( 1.546 3.505 -2.132) 4.384 5.192 ( 2.691 -5.721 4.298) 7.645 5.207 ( -4.174 -0.466 -4.708) 6.309 5.305 ( -2.525 -7.094 -4.438) 8.740 5.449 ( 0.506 -2.349 2.936) 3.794 5.501 ( 1.032 -1.953 -1.797) 2.848 5.659 ( -0.466 -2.313 2.719) 3.600 5.730 ( -0.040 -2.617 -3.599) 4.450 5.837 ( 2.810 -8.000 4.890) 9.788 5.921 ( -1.116 -7.465 -2.899) 8.086 6.300 ( 1.369 -4.212 0.993) 4.538 6.319 ( 0.987 -4.217 -1.412) 4.555 6.500 ( -5.277 5.904 4.392) 9.055 6.588 ( 3.203 4.524 -4.927) 7.416 6.688 ( -3.856 -2.280 4.897) 6.637 6.778 ( 3.774 -0.889 -3.607) 5.296 6.924 ( -1.690 -3.108 1.019) 3.682 6.967 ( 2.253 -0.573 -1.373) 2.700 7.094 ( -1.669 -1.450 -0.192) 2.219 7.122 ( 2.044 -2.388 -3.383) 4.617 7.260 ( 2.035 -3.673 5.956) 7.288 7.319 ( 2.115 -2.969 1.881) 4.102 7.390 ( -5.444 1.502 1.963) 5.979 7.465 ( 3.792 2.369 -5.607) 7.172 7.632 ( -3.095 0.925 2.005) 3.802 7.654 ( 3.612 1.472 0.003) 3.900 7.924 ( -0.192 3.839 0.053) 3.844 7.945 ( -1.067 4.600 -2.196) 5.208 8.186 ( 1.037 2.510 3.450) 4.391 8.231 ( -1.734 2.861 -1.590) 3.704 8.366 ( 3.401 1.526 -0.403) 3.750 8.378 ( -4.712 -0.093 -0.343) 4.726 8.433 ( 0.690 2.375 5.404) 5.943 8.538 ( -4.687 0.854 -4.495) 6.550 8.743 ( -2.040 -1.639 0.462) 2.657 8.755 ( -3.446 -1.561 4.377) 5.786 8.782 ( 4.442 2.287 -0.652) 5.039 8.850 ( 4.624 0.661 -3.614) 5.906 12.401 ( -1.572 6.050 4.032) 7.439 12.500 ( 2.785 5.368 -6.489) 8.870 12.776 ( -2.014 -7.100 1.336) 7.500 12.800 ( 1.920 -4.844 -1.188) 5.344 13.805 ( 4.208 2.620 3.112) 5.853 13.878 ( -5.554 2.003 -4.146) 7.214 13.983 ( 0.244 -1.487 0.669) 1.648 14.014 ( -1.106 -1.138 -2.261) 2.762 14.389 ( -14.446 10.546 12.243) 21.675 14.588 ( 14.300 14.225 -8.806) 22.008 14.896 ( -12.426 -6.729 3.376) 14.528 14.938 ( 15.983 2.734 -0.891) 16.240 16.009 ( 1.179 0.535 1.319) 1.849 16.040 ( -0.698 -0.546 -1.291) 1.566 16.091 ( 1.347 0.160 1.975) 2.396 16.131 ( -1.092 -0.759 -0.456) 1.406 16.182 ( 2.157 0.451 3.277) 3.949 16.226 ( 1.968 0.387 2.768) 3.419 16.286 ( -5.065 0.607 -5.158) 7.255 16.303 ( -3.746 0.921 -4.666) 6.054 17.709 ( -2.384 0.400 2.643) 3.582 17.752 ( 1.015 2.245 -1.793) 3.047 17.911 ( -1.828 -6.218 2.579) 6.976 17.963 ( 1.696 -5.895 -2.692) 6.699 18.068 ( 13.519 3.043 0.275) 13.860 18.074 ( -12.366 -2.912 -0.329) 12.708 18.314 ( -8.944 -9.916 3.698) 13.856 18.388 ( 10.660 -6.365 -4.065) 13.064 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -7.819 12.869 -3.440) 15.446 1.657 ( 11.027 19.456 -2.752) 22.532 1.689 ( -9.322 12.996 -14.172) 21.369 1.872 ( -8.374 4.468 -5.527) 10.983 2.097 ( -1.599 0.160 -1.377) 2.116 2.227 ( 4.054 4.302 -0.528) 5.935 2.342 ( 2.374 7.439 11.473) 13.878 2.370 ( -1.622 3.564 6.641) 7.709 2.473 ( -9.519 -5.345 -0.887) 10.953 2.588 ( -6.034 -0.883 -2.867) 6.739 2.695 ( 4.844 2.302 4.685) 7.121 2.760 ( 0.120 -3.396 3.266) 4.713 2.822 ( 0.032 1.795 1.096) 2.103 2.868 ( 1.151 4.249 -3.645) 5.715 2.940 ( -7.140 -2.849 3.207) 8.330 3.078 ( -0.903 5.683 -1.306) 5.901 3.129 ( 0.742 6.802 1.436) 6.992 3.165 ( 2.086 -5.665 0.149) 6.039 3.273 ( -3.144 3.932 0.049) 5.034 3.321 ( -2.059 6.201 -0.664) 6.567 3.478 ( 0.744 4.932 -3.152) 5.900 3.539 ( 8.245 1.002 5.890) 10.182 3.717 ( -2.969 4.025 -1.614) 5.255 3.831 ( -1.313 0.595 2.379) 2.782 3.841 ( -0.206 0.575 2.753) 2.820 3.883 ( 0.032 -0.523 -3.364) 3.405 3.972 ( 2.845 0.837 1.770) 3.453 4.015 ( 0.555 -2.496 0.517) 2.608 4.071 ( 3.656 -0.472 -1.334) 3.920 4.184 ( 3.878 0.883 -0.932) 4.085 4.225 ( 2.144 2.673 -7.059) 7.847 4.279 ( 1.655 -0.922 -0.639) 1.999 4.408 ( 2.217 -1.954 2.034) 3.588 4.476 ( 3.122 1.706 2.747) 4.495 4.497 ( -2.141 2.023 1.713) 3.408 4.557 ( -2.128 0.041 0.842) 2.289 4.694 ( -1.304 1.768 -0.674) 2.298 4.748 ( 2.494 1.167 0.166) 2.758 4.895 ( -4.022 5.171 0.133) 6.552 4.997 ( 1.773 -3.207 0.907) 3.775 5.017 ( -5.463 -1.546 -3.970) 6.928 5.098 ( 1.699 -4.484 1.820) 5.129 5.144 ( 0.594 -1.881 -2.466) 3.158 5.197 ( -1.663 1.858 -2.109) 3.266 5.244 ( 2.695 -0.224 4.466) 5.221 5.290 ( 1.721 -4.422 2.913) 5.568 5.460 ( 0.011 -3.573 2.444) 4.329 5.481 ( -0.494 -5.176 -4.443) 6.840 5.649 ( -1.307 -1.200 -0.650) 1.890 5.693 ( -3.339 -0.519 1.834) 3.845 5.840 ( -1.246 -7.383 -5.589) 9.344 5.929 ( 1.917 -6.793 2.130) 7.373 6.284 ( -0.668 -2.960 -2.255) 3.781 6.322 ( 0.248 -4.754 -1.002) 4.865 6.480 ( -1.770 5.118 5.017) 7.382 6.624 ( 2.141 4.307 -2.500) 5.421 6.664 ( -2.637 -2.933 4.103) 5.691 6.826 ( 3.339 -1.662 -2.926) 4.741 6.908 ( -0.445 -1.689 -0.233) 1.762 6.993 ( 1.303 0.365 -0.505) 1.445 7.046 ( -0.981 -2.871 0.914) 3.169 7.133 ( -1.147 -2.424 -3.598) 4.487 7.264 ( -3.998 -1.871 -1.601) 4.695 7.314 ( 1.605 -1.865 -4.008) 4.703 7.385 ( 2.576 -0.964 3.930) 4.797 7.497 ( 2.931 0.912 -2.101) 3.720 7.601 ( -1.460 2.272 1.150) 2.936 7.743 ( 5.386 0.339 -2.965) 6.158 7.893 ( -1.096 4.386 1.347) 4.717 7.955 ( 0.480 5.714 1.421) 5.908 8.119 ( -4.423 3.573 0.642) 5.722 8.256 ( -1.320 -0.864 -0.174) 1.588 8.327 ( -0.604 -2.366 -0.577) 2.509 8.388 ( -3.460 -0.241 2.715) 4.404 8.455 ( 0.249 3.274 0.875) 3.398 8.532 ( 2.158 2.249 7.776) 8.378 8.652 ( -5.221 -0.025 -0.207) 5.225 8.743 ( -1.031 -1.048 0.584) 1.582 8.844 ( 3.909 2.121 -2.431) 5.068 8.925 ( 5.915 1.788 -4.615) 7.712 12.393 ( -3.162 5.597 3.493) 7.316 12.456 ( -0.572 7.527 -5.150) 9.138 12.757 ( -1.128 -6.945 1.685) 7.235 12.865 ( 5.516 -7.171 -2.167) 9.303 13.742 ( -3.816 1.738 -1.777) 4.555 13.900 ( -4.316 -1.982 0.899) 4.834 13.966 ( 5.508 1.505 3.864) 6.895 14.061 ( 1.282 0.698 0.978) 1.757 14.290 ( -5.302 6.700 12.076) 14.793 14.573 ( -18.303 -5.480 -0.393) 19.110 14.797 ( 15.046 17.118 -12.227) 25.863 15.206 ( 12.916 4.999 -5.590) 14.936 15.977 ( -2.738 0.701 -0.434) 2.859 16.013 ( -2.658 -0.722 -1.828) 3.306 16.087 ( -0.305 -0.121 0.386) 0.506 16.120 ( -0.704 -1.656 3.163) 3.640 16.179 ( -1.055 -0.144 -3.003) 3.186 16.213 ( -0.780 -0.222 -2.070) 2.224 16.347 ( 6.384 1.319 7.031) 9.588 16.359 ( 4.816 0.933 2.666) 5.583 17.632 ( -11.381 -3.888 4.026) 12.683 17.767 ( 1.398 0.660 -1.565) 2.200 17.834 ( -5.672 -2.621 0.896) 6.313 17.840 ( -6.210 -5.254 1.701) 8.311 17.972 ( -0.891 -4.461 -1.540) 4.803 18.186 ( -6.075 -8.701 2.887) 10.997 18.326 ( 12.106 1.522 -1.410) 12.283 18.520 ( 7.024 -4.854 -6.069) 10.475 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.241 8.406 -1.311) 8.511 1.577 ( 7.872 10.853 -0.830) 13.433 1.647 ( -6.169 9.076 -9.553) 14.550 1.872 ( 10.053 12.697 -0.239) 16.197 2.052 ( -1.646 1.105 3.824) 4.307 2.199 ( -1.777 -0.819 -0.233) 1.970 2.283 ( -9.527 -4.304 3.853) 11.141 2.350 ( -4.763 -2.353 5.463) 7.621 2.429 ( -5.308 -0.656 -2.422) 5.871 2.574 ( 4.090 4.527 5.328) 8.099 2.657 ( -7.724 -2.498 -2.414) 8.470 2.726 ( -3.978 5.934 -2.507) 7.571 2.849 ( -1.060 3.518 2.363) 4.368 2.897 ( 5.077 2.507 3.414) 6.611 2.947 ( 1.320 -1.662 1.984) 2.906 3.050 ( 0.911 -2.117 -6.883) 7.259 3.127 ( -2.118 1.140 -3.407) 4.171 3.150 ( -5.131 1.616 0.689) 5.423 3.237 ( 1.619 8.617 -3.181) 9.327 3.326 ( -2.053 0.320 2.775) 3.466 3.398 ( -2.867 4.587 0.662) 5.450 3.677 ( 1.341 7.258 2.240) 7.713 3.709 ( 0.399 -2.977 5.093) 5.913 3.786 ( -2.448 2.990 -2.034) 4.367 3.845 ( 2.249 2.082 -1.949) 3.632 3.917 ( 1.887 -0.249 5.009) 5.358 4.039 ( 0.248 0.452 -2.030) 2.095 4.070 ( -1.927 9.036 -3.759) 9.975 4.095 ( 5.922 4.213 3.154) 7.923 4.167 ( 5.070 3.097 -3.577) 6.934 4.247 ( 4.365 -0.374 -3.918) 5.877 4.364 ( 4.440 -4.579 1.328) 6.515 4.426 ( -1.989 0.185 0.531) 2.067 4.455 ( -3.438 -0.303 1.217) 3.660 4.512 ( -0.944 -2.179 -1.059) 2.600 4.633 ( 1.615 -1.653 -2.137) 3.148 4.672 ( 2.395 2.864 4.581) 5.910 4.752 ( -0.392 2.279 -1.300) 2.653 4.842 ( -5.985 -0.536 -2.755) 6.611 4.874 ( -0.526 5.248 1.056) 5.379 5.019 ( 0.295 -2.847 -3.737) 4.708 5.085 ( 2.137 -4.118 1.974) 5.042 5.160 ( -3.334 0.189 3.410) 4.773 5.250 ( 0.341 -4.381 0.797) 4.466 5.299 ( 2.664 -0.316 9.932) 10.288 5.376 ( 1.370 4.797 -3.406) 6.041 5.440 ( 1.603 -4.235 -2.416) 5.132 5.450 ( 1.149 -8.342 -1.049) 8.485 5.576 ( -5.354 -0.981 0.275) 5.450 5.693 ( 0.252 2.720 1.315) 3.032 5.820 ( 3.063 -7.817 -0.174) 8.397 5.960 ( 1.168 -4.074 -1.344) 4.447 6.274 ( 1.133 -2.645 0.143) 2.881 6.312 ( -0.146 -3.464 -0.810) 3.561 6.458 ( -3.056 4.583 -2.672) 6.122 6.610 ( -1.946 0.958 1.235) 2.496 6.673 ( -0.112 -3.096 2.791) 4.170 6.834 ( -1.276 -1.986 1.007) 2.566 6.879 ( -3.298 -4.478 -2.564) 6.124 6.973 ( -2.161 -2.517 -6.672) 7.451 7.022 ( 0.565 2.837 0.064) 2.894 7.107 ( 1.443 -1.857 3.853) 4.514 7.191 ( -1.201 2.166 -2.842) 3.770 7.328 ( 2.529 -0.606 -4.570) 5.258 7.457 ( 4.392 -5.981 -1.786) 7.632 7.535 ( 1.316 -3.917 1.339) 4.344 7.614 ( 1.288 3.703 2.238) 4.515 7.764 ( 1.958 0.296 -5.506) 5.851 7.925 ( 1.906 4.069 2.835) 5.313 7.990 ( 0.280 2.957 3.992) 4.976 8.074 ( -1.468 4.085 0.717) 4.400 8.218 ( -4.542 0.296 -1.624) 4.833 8.238 ( -2.101 -2.873 -0.357) 3.577 8.348 ( -5.502 -2.563 2.219) 6.462 8.498 ( 0.548 2.929 2.284) 3.754 8.589 ( -0.671 0.526 -1.020) 1.330 8.639 ( 0.420 3.168 8.266) 8.862 8.740 ( 0.743 1.000 0.031) 1.246 8.883 ( 2.721 3.368 -2.117) 4.820 8.961 ( 3.567 2.739 -5.792) 7.333 12.363 ( -2.750 6.129 2.340) 7.114 12.403 ( -0.273 8.422 -3.328) 9.060 12.770 ( -0.363 -8.423 3.635) 9.181 12.926 ( 4.267 -9.915 -4.917) 11.861 13.701 ( 0.370 0.850 0.117) 0.935 13.843 ( -3.103 -2.530 1.772) 4.378 13.976 ( -3.072 0.406 -1.053) 3.273 14.100 ( -2.822 -3.496 -4.149) 6.115 14.305 ( -8.927 5.232 12.873) 16.516 14.477 ( 6.829 2.301 17.589) 19.008 14.889 ( 9.886 18.835 -17.627) 27.626 15.290 ( 5.441 7.496 -11.854) 15.044 15.953 ( -0.347 0.093 2.128) 2.158 15.972 ( 0.051 -0.331 0.235) 0.409 16.095 ( -0.262 -0.935 1.342) 1.657 16.137 ( -0.978 -2.231 3.767) 4.486 16.146 ( 0.055 -0.031 -3.201) 3.202 16.192 ( 0.332 -0.378 -1.992) 2.055 16.372 ( -4.059 -0.371 -3.804) 5.576 16.426 ( -2.705 -1.432 -2.626) 4.033 17.511 ( -5.554 -4.572 12.595) 14.505 17.750 ( -1.295 -7.437 3.310) 8.243 17.807 ( 1.151 -0.018 -1.231) 1.686 17.870 ( 2.368 -1.956 4.901) 5.784 17.938 ( -1.076 -3.287 1.495) 3.768 18.152 ( -2.260 -6.934 5.617) 9.205 18.462 ( 6.560 -0.584 -7.044) 9.643 18.501 ( -0.440 -1.952 -9.776) 9.979 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.249 2.310 1.143) 11.540 1.399 ( -4.663 13.014 -13.800) 19.534 1.886 ( 9.507 3.953 7.525) 12.753 1.992 ( 1.766 5.394 -4.017) 6.954 2.096 ( -0.839 4.992 4.748) 6.940 2.167 ( -0.474 0.560 -1.162) 1.374 2.232 ( 2.335 -6.100 9.052) 11.162 2.296 ( -2.098 2.405 3.299) 4.591 2.376 ( -4.884 -1.371 -1.612) 5.323 2.455 ( -2.174 3.967 -10.668) 11.587 2.611 ( -1.104 1.381 7.191) 7.405 2.746 ( 0.891 1.107 -3.752) 4.012 2.853 ( 1.703 5.328 3.806) 6.765 2.879 ( -6.688 1.656 2.079) 7.197 2.980 ( -2.553 3.305 -1.263) 4.363 2.996 ( 1.281 3.741 0.436) 3.978 3.045 ( 3.128 -4.958 -4.159) 7.188 3.051 ( -2.619 0.718 -4.373) 5.147 3.249 ( -3.566 6.697 -0.111) 7.588 3.285 ( 3.577 4.433 -2.254) 6.126 3.477 ( 2.318 -1.733 10.877) 11.255 3.635 ( -5.016 -0.048 -3.104) 5.898 3.786 ( 0.549 9.948 3.285) 10.491 3.793 ( 3.062 -4.725 5.966) 8.203 3.864 ( -1.173 2.670 -4.277) 5.176 3.903 ( -0.401 5.278 -2.585) 5.891 3.987 ( -2.434 4.758 -1.057) 5.448 4.033 ( -0.414 1.243 -4.148) 4.350 4.212 ( 4.307 1.673 3.372) 5.721 4.244 ( 0.856 3.672 3.158) 4.918 4.323 ( -2.313 2.556 0.669) 3.512 4.372 ( -3.677 -2.567 0.892) 4.572 4.379 ( 3.189 -0.615 -3.625) 4.867 4.454 ( 3.514 -3.884 -0.841) 5.304 4.513 ( 3.663 -1.672 0.237) 4.033 4.551 ( -4.673 -2.499 -7.131) 8.884 4.661 ( -2.249 1.621 1.086) 2.977 4.720 ( 0.624 2.173 -3.574) 4.229 4.838 ( 0.909 5.599 4.802) 7.432 4.894 ( 1.172 5.142 -1.015) 5.371 5.087 ( 4.387 -2.381 2.501) 5.584 5.111 ( -5.985 -2.543 0.578) 6.528 5.160 ( 3.298 -3.544 1.824) 5.174 5.185 ( -4.139 -0.980 0.586) 4.294 5.305 ( 0.460 0.826 -0.426) 1.037 5.390 ( -2.228 -2.448 -3.377) 4.729 5.437 ( 0.902 -3.545 6.494) 7.453 5.548 ( 3.912 -1.850 -3.862) 5.800 5.594 ( 5.029 -2.338 3.610) 6.618 5.642 ( -4.634 0.692 -0.876) 4.766 5.887 ( 1.385 -2.525 1.021) 3.056 5.935 ( -1.282 -1.503 -3.852) 4.329 6.287 ( -0.321 -1.455 1.590) 2.179 6.341 ( -0.305 -1.394 -3.253) 3.552 6.413 ( 4.082 -2.444 6.689) 8.209 6.547 ( -6.093 -4.510 -4.424) 8.777 6.689 ( 1.192 -2.203 0.972) 2.686 6.728 ( -2.324 -0.186 -1.609) 2.833 6.886 ( 3.050 -1.954 -0.224) 3.629 6.897 ( -2.675 -3.202 -2.291) 4.760 7.056 ( 0.702 4.025 1.905) 4.508 7.138 ( 2.557 1.136 -4.625) 5.406 7.193 ( -0.085 -0.657 4.505) 4.553 7.301 ( 0.496 -0.256 -5.666) 5.694 7.510 ( -0.203 -6.651 1.316) 6.783 7.541 ( -0.915 -5.972 -1.202) 6.160 7.661 ( 0.558 1.681 2.520) 3.080 7.733 ( 0.273 0.471 -4.511) 4.544 7.990 ( -0.629 2.868 3.884) 4.869 8.022 ( 1.560 1.303 0.921) 2.231 8.094 ( 1.802 2.666 0.526) 3.260 8.112 ( -2.205 1.565 -0.836) 2.830 8.249 ( 1.546 0.363 0.656) 1.718 8.254 ( -3.921 -0.057 0.470) 3.949 8.517 ( 0.107 0.264 1.960) 1.981 8.567 ( -0.328 -0.745 -2.204) 2.350 8.708 ( -1.365 4.160 7.073) 8.319 8.760 ( -0.102 2.248 1.524) 2.718 8.898 ( 0.639 3.896 -1.802) 4.340 8.947 ( 1.258 3.225 -5.817) 6.769 12.345 ( -1.448 6.682 1.887) 7.093 12.388 ( 1.878 8.030 -2.678) 8.670 12.808 ( -0.524 -10.172 5.075) 11.379 12.919 ( 1.335 -10.823 -6.658) 12.777 13.754 ( 3.113 -0.154 2.156) 3.790 13.797 ( -2.246 -0.891 -1.823) 3.026 13.928 ( -0.551 -1.747 0.546) 1.911 13.956 ( -2.886 -2.657 -2.091) 4.446 14.412 ( -2.980 10.852 20.123) 23.056 14.787 ( 5.405 5.843 5.910) 9.914 14.825 ( 3.529 10.752 -7.773) 13.729 15.165 ( -3.053 9.066 -18.542) 20.865 16.003 ( 1.778 -0.075 4.091) 4.462 16.025 ( 3.020 -0.453 3.641) 4.752 16.089 ( -1.478 -0.295 -3.951) 4.229 16.100 ( -1.238 0.343 -2.017) 2.392 16.156 ( -1.504 -2.768 2.341) 3.925 16.194 ( -2.281 -0.664 2.608) 3.528 16.214 ( -0.239 -2.305 -3.096) 3.867 16.295 ( -2.670 -3.405 -5.881) 7.301 17.627 ( 0.770 -3.234 12.556) 12.989 17.785 ( 1.939 -3.585 -0.877) 4.169 17.814 ( 1.081 -2.053 -1.064) 2.552 17.856 ( -1.387 -1.450 -2.549) 3.244 18.088 ( 4.872 -4.922 12.944) 14.680 18.211 ( -0.205 -6.145 10.312) 12.005 18.327 ( -5.283 0.097 -12.442) 13.518 18.441 ( 1.471 -2.928 -12.160) 12.593 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 3.580 19.861 -12.411) 23.692 1.512 ( 13.573 -0.097 1.698) 13.679 1.683 ( -14.550 12.710 -8.896) 21.269 1.932 ( -5.962 8.237 -6.530) 12.085 2.134 ( -2.745 -0.276 -3.075) 4.131 2.187 ( -2.176 2.451 2.520) 4.134 2.246 ( 6.028 -3.865 5.009) 8.739 2.399 ( 6.964 3.755 2.128) 8.193 2.414 ( 4.938 -3.301 -0.644) 5.975 2.535 ( 8.465 2.374 4.613) 9.928 2.649 ( -3.452 6.654 2.946) 8.054 2.726 ( 2.032 -0.090 0.685) 2.146 2.825 ( 4.198 2.427 -1.592) 5.103 2.945 ( -4.098 -2.375 0.411) 4.754 2.966 ( -0.771 -0.899 -0.012) 1.184 3.006 ( -1.186 2.736 3.437) 4.550 3.016 ( 1.769 4.106 5.579) 7.149 3.112 ( 5.491 -3.572 -1.218) 6.663 3.203 ( 3.458 8.523 -0.877) 9.240 3.333 ( 0.255 4.644 0.701) 4.703 3.487 ( -4.034 2.067 -3.682) 5.840 3.664 ( 3.571 -2.084 7.718) 8.755 3.730 ( -3.251 -0.382 -4.518) 5.579 3.836 ( -2.113 10.631 3.481) 11.385 3.837 ( -1.866 -4.069 3.757) 5.844 3.880 ( 0.209 2.636 -6.991) 7.475 3.969 ( -1.510 5.034 4.284) 6.780 4.022 ( 0.739 1.034 2.191) 2.533 4.148 ( -5.319 1.131 -2.582) 6.020 4.202 ( -7.097 0.035 -0.899) 7.154 4.248 ( -3.334 3.448 -4.677) 6.699 4.366 ( -1.084 -2.782 1.857) 3.516 4.431 ( 2.638 -1.577 -2.290) 3.833 4.492 ( 4.534 -0.744 -1.988) 5.007 4.504 ( 3.599 -1.603 1.212) 4.122 4.558 ( -0.158 -4.412 0.756) 4.479 4.720 ( 3.304 3.902 2.533) 5.706 4.752 ( 3.010 2.909 -1.395) 4.413 4.826 ( -0.455 2.961 -1.717) 3.453 4.899 ( -0.321 3.863 -0.999) 4.003 4.965 ( -4.217 -1.170 0.927) 4.473 5.109 ( -3.708 -2.017 0.224) 4.227 5.221 ( 0.046 -0.210 1.305) 1.322 5.231 ( 5.039 -0.311 3.379) 6.075 5.311 ( 0.676 1.257 -3.170) 3.476 5.390 ( -0.476 -5.228 2.519) 5.823 5.439 ( -4.484 -3.276 1.149) 5.671 5.507 ( -3.786 -1.931 -9.765) 10.650 5.568 ( 5.282 -2.524 -0.046) 5.854 5.697 ( 1.504 0.204 2.074) 2.570 5.852 ( -3.548 -4.009 -2.222) 5.796 5.913 ( 0.167 -0.707 1.876) 2.011 6.287 ( -2.206 -1.940 -0.472) 2.975 6.316 ( -0.405 -3.290 -0.222) 3.322 6.407 ( 0.094 0.966 -0.545) 1.113 6.606 ( 4.581 -3.532 5.154) 7.747 6.710 ( 1.234 -1.466 -1.087) 2.203 6.791 ( 6.478 -1.496 3.740) 7.628 6.823 ( -2.940 -2.361 0.099) 3.772 6.933 ( 2.171 -0.674 -1.152) 2.549 7.066 ( 0.278 0.515 -2.045) 2.127 7.151 ( 3.148 0.589 -3.086) 4.448 7.217 ( -2.035 -2.261 0.108) 3.045 7.243 ( -2.098 -0.681 -0.981) 2.414 7.429 ( -5.413 -4.087 1.543) 6.956 7.541 ( -0.557 -5.725 0.578) 5.781 7.668 ( -1.501 1.592 -1.488) 2.646 7.687 ( -1.594 -0.328 0.461) 1.692 7.970 ( -1.899 4.762 -0.905) 5.206 8.046 ( -2.229 3.844 -0.249) 4.450 8.076 ( 3.058 1.826 -1.216) 3.763 8.176 ( 2.460 1.983 2.072) 3.779 8.232 ( 2.243 -0.614 0.564) 2.393 8.345 ( 5.029 -0.006 2.955) 5.833 8.530 ( -0.906 1.184 0.121) 1.495 8.560 ( 1.323 0.310 0.634) 1.500 8.711 ( -1.941 2.024 1.692) 3.275 8.760 ( -1.776 2.665 0.576) 3.254 8.859 ( -2.957 2.448 -0.678) 3.898 8.908 ( -0.645 2.571 -3.020) 4.018 12.349 ( -0.177 7.224 2.150) 7.539 12.418 ( 4.244 6.744 -3.124) 8.559 12.829 ( -2.109 -10.272 3.161) 10.952 12.866 ( -0.343 -9.336 -4.509) 10.373 13.719 ( -1.157 1.570 -1.710) 2.593 13.864 ( 4.296 -0.894 0.101) 4.389 13.946 ( 1.746 -1.652 1.125) 2.654 14.008 ( 5.518 -2.764 4.630) 7.715 14.518 ( -7.709 12.266 20.120) 24.794 14.625 ( 0.374 14.457 -19.341) 24.150 14.836 ( -8.451 8.240 -17.891) 21.434 15.032 ( -1.076 -3.721 13.363) 13.913 16.008 ( -1.962 0.300 -3.395) 3.932 16.014 ( -0.364 0.369 -3.555) 3.592 16.069 ( -0.640 0.259 4.052) 4.111 16.092 ( 0.347 -0.664 2.016) 2.151 16.149 ( -0.251 -1.697 2.123) 2.730 16.213 ( 0.515 -3.428 -2.611) 4.340 16.293 ( 6.063 -0.374 3.116) 6.827 16.343 ( 6.756 -1.885 5.096) 8.670 17.705 ( -1.257 -1.378 3.382) 3.862 17.756 ( 2.151 -0.824 -8.342) 8.654 17.809 ( -0.646 0.680 -0.846) 1.263 17.866 ( 1.918 -4.172 1.843) 4.948 18.106 ( -4.701 -0.330 -11.088) 12.047 18.273 ( -0.884 -6.036 11.762) 13.250 18.315 ( 0.903 -5.585 8.442) 10.163 18.324 ( 0.293 -4.745 -10.595) 11.613 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 12.654 25.281 -10.127) 30.030 1.463 ( 0.535 18.198 6.387) 19.293 1.686 ( -5.537 10.870 -3.315) 12.641 1.833 ( 9.870 -0.919 -3.231) 10.426 2.096 ( 1.142 0.736 -0.826) 1.591 2.190 ( -1.156 3.511 3.025) 4.777 2.397 ( 2.237 0.513 4.711) 5.241 2.448 ( 5.465 -0.284 -1.126) 5.587 2.532 ( -1.438 7.943 0.981) 8.131 2.605 ( 1.797 -1.141 -6.963) 7.281 2.695 ( -0.507 4.388 1.095) 4.550 2.750 ( 2.272 3.339 3.894) 5.610 2.832 ( -2.936 1.003 -0.849) 3.216 2.879 ( -3.740 -4.313 0.505) 5.731 2.947 ( 5.695 -3.185 -2.685) 7.056 3.015 ( -0.040 6.539 3.041) 7.212 3.151 ( 1.183 2.891 2.527) 4.017 3.168 ( 2.055 -2.189 0.785) 3.104 3.246 ( 2.011 6.051 -0.397) 6.389 3.325 ( -2.853 2.377 0.853) 3.810 3.430 ( 0.636 5.727 0.247) 5.767 3.663 ( -6.978 3.703 -1.517) 8.044 3.699 ( 0.252 0.231 -0.868) 0.933 3.798 ( -2.110 -0.587 1.353) 2.575 3.826 ( 0.808 3.734 1.807) 4.226 3.868 ( -2.372 -0.809 2.170) 3.315 3.962 ( -1.418 -2.934 4.180) 5.300 4.012 ( -1.112 2.165 0.706) 2.534 4.101 ( 0.563 -2.372 -4.120) 4.787 4.123 ( -5.545 -5.221 1.559) 7.774 4.170 ( 3.407 7.844 -1.405) 8.666 4.315 ( -2.222 -2.275 -3.148) 4.475 4.430 ( -2.966 -4.510 0.503) 5.421 4.514 ( 1.914 0.623 -2.746) 3.405 4.564 ( 1.455 1.336 -2.431) 3.133 4.595 ( 0.969 -1.016 -0.508) 1.493 4.679 ( -2.045 3.929 -2.375) 5.026 4.760 ( 0.659 2.930 -1.048) 3.181 4.903 ( 4.130 2.801 -0.569) 5.022 4.920 ( 3.422 -0.199 5.041) 6.096 4.988 ( -0.392 -0.712 2.970) 3.080 5.069 ( 1.304 -2.208 1.582) 3.013 5.170 ( -5.624 -2.765 -2.369) 6.700 5.235 ( -2.008 2.990 -5.050) 6.203 5.320 ( -1.735 2.570 -1.016) 3.263 5.352 ( -1.984 -3.930 -6.558) 7.898 5.388 ( 0.533 -3.701 5.157) 6.370 5.452 ( 4.048 -6.008 4.233) 8.391 5.660 ( -1.460 -0.533 -2.739) 3.149 5.723 ( 4.807 -2.160 -0.179) 5.273 5.792 ( -0.678 -6.677 -0.665) 6.744 5.932 ( 0.024 -3.952 1.462) 4.214 6.249 ( 0.330 -2.574 1.087) 2.813 6.316 ( 0.595 -5.619 -0.543) 5.677 6.486 ( 2.202 6.375 4.722) 8.233 6.636 ( -0.990 2.955 -3.796) 4.912 6.706 ( -1.244 -2.283 0.592) 2.667 6.777 ( -0.619 -1.904 -0.712) 2.125 6.943 ( 0.830 0.502 -1.670) 1.931 6.951 ( -0.781 -4.501 4.201) 6.206 7.074 ( 4.779 -2.292 0.496) 5.324 7.131 ( -0.185 -4.632 -5.697) 7.345 7.204 ( 0.747 -1.154 3.374) 3.643 7.224 ( -0.536 -1.940 4.075) 4.545 7.404 ( 0.225 1.257 1.306) 1.827 7.513 ( -2.119 -2.059 -2.491) 3.865 7.627 ( 0.122 0.769 -1.365) 1.572 7.667 ( -3.387 0.183 3.798) 5.092 7.930 ( -0.087 4.639 -2.492) 5.266 7.997 ( -1.679 6.029 -1.769) 6.503 8.125 ( 2.378 1.558 0.395) 2.870 8.232 ( 1.616 2.332 2.006) 3.475 8.300 ( 3.482 -1.312 1.025) 3.859 8.422 ( -0.049 -0.489 0.935) 1.056 8.470 ( -4.723 5.210 -0.523) 7.051 8.645 ( 6.787 0.801 0.923) 6.896 8.670 ( -3.581 2.473 -5.691) 7.164 8.723 ( 0.873 -1.280 1.271) 2.004 8.811 ( -4.319 0.402 3.941) 5.860 8.862 ( -1.614 0.965 -1.625) 2.485 12.376 ( 0.059 7.019 3.190) 7.710 12.473 ( 5.492 5.235 -4.845) 9.002 12.796 ( -1.241 -6.757 -1.353) 7.002 12.827 ( -2.527 -8.207 0.646) 8.612 13.723 ( 2.412 2.434 0.021) 3.427 13.921 ( 3.428 -1.754 -1.374) 4.089 13.999 ( -0.323 0.598 0.761) 1.020 14.084 ( -2.116 -0.900 -0.608) 2.379 14.496 ( -8.477 12.489 7.388) 16.805 14.541 ( -1.096 9.240 -3.483) 9.936 14.643 ( 10.975 7.872 -7.819) 15.606 15.057 ( -8.648 -6.616 9.596) 14.514 15.978 ( 0.921 1.290 -0.955) 1.850 16.014 ( 3.001 0.947 -1.695) 3.574 16.079 ( -1.713 -0.083 2.575) 3.094 16.110 ( -0.413 -0.722 2.955) 3.070 16.174 ( 1.238 -0.889 1.087) 1.872 16.190 ( 0.396 -2.439 -3.155) 4.007 16.388 ( -0.601 0.405 0.047) 0.726 16.429 ( -1.754 -0.709 -1.452) 2.385 17.704 ( 1.256 0.212 -0.135) 1.281 17.755 ( 2.412 -0.614 -2.810) 3.754 17.822 ( 4.212 4.213 -0.311) 5.966 17.909 ( 2.355 -5.282 -0.477) 5.802 17.983 ( 0.837 -2.650 -5.064) 5.777 18.253 ( -5.143 -4.753 1.939) 7.267 18.284 ( 1.720 -5.411 -3.384) 6.610 18.390 ( -3.613 -8.243 7.268) 11.569 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -11.984 19.014 2.927) 22.666 1.869 ( 9.487 17.457 -3.847) 20.238 2.011 ( 6.049 -0.157 4.046) 7.279 2.078 ( -3.335 -2.264 1.609) 4.340 2.162 ( 12.028 9.907 1.451) 15.651 2.219 ( -2.758 1.418 2.383) 3.911 2.378 ( -3.685 -5.363 2.094) 6.836 2.417 ( 0.200 -7.285 -3.487) 8.080 2.449 ( 3.299 2.216 2.900) 4.920 2.525 ( -8.772 0.464 -4.352) 9.804 2.655 ( 4.300 -4.950 0.475) 6.574 2.688 ( -8.559 -5.991 -3.169) 10.918 2.817 ( 0.520 -0.989 2.647) 2.873 2.872 ( -5.709 -2.023 -1.856) 6.335 2.970 ( 2.650 2.063 -3.516) 4.863 3.008 ( 9.922 -4.797 -7.426) 13.289 3.265 ( -0.268 8.938 4.106) 9.840 3.319 ( 2.653 6.180 5.606) 8.756 3.329 ( -3.384 6.070 -0.439) 6.963 3.443 ( -5.832 -0.095 -1.433) 6.006 3.504 ( 4.494 2.836 0.447) 5.333 3.563 ( -3.119 5.508 -1.646) 6.541 3.639 ( 2.881 -9.528 3.526) 10.560 3.702 ( -2.554 -9.221 -3.136) 10.069 3.847 ( -2.687 0.850 8.866) 9.303 3.900 ( 0.672 -4.066 5.170) 6.612 3.947 ( 0.503 3.483 -1.131) 3.696 3.990 ( 2.332 -2.134 -2.993) 4.354 4.047 ( -3.380 8.053 2.878) 9.196 4.126 ( 2.663 5.295 -3.867) 7.077 4.196 ( -2.803 -5.106 0.771) 5.875 4.233 ( 3.052 -4.445 -2.220) 5.831 4.453 ( 2.286 3.768 0.461) 4.431 4.488 ( -1.393 0.218 -2.594) 2.953 4.597 ( 0.524 2.677 -1.679) 3.203 4.615 ( 0.246 1.058 -2.960) 3.153 4.730 ( -0.849 3.729 2.256) 4.440 4.784 ( 0.917 2.350 -3.457) 4.280 4.867 ( -1.117 -4.351 1.542) 4.750 4.913 ( 0.052 -3.915 -3.071) 4.976 5.050 ( -1.370 -1.069 2.984) 3.453 5.066 ( 1.524 -3.720 1.673) 4.355 5.129 ( 0.539 0.098 -0.750) 0.929 5.177 ( -0.185 -4.219 -3.359) 5.396 5.270 ( 2.592 8.641 1.165) 9.096 5.312 ( -4.010 8.236 -3.607) 9.845 5.418 ( -0.623 -3.874 0.745) 3.994 5.440 ( 0.559 -4.637 -1.555) 4.923 5.628 ( 1.564 0.508 3.992) 4.317 5.692 ( 1.292 -2.780 -1.391) 3.367 5.716 ( 0.266 -1.913 1.874) 2.691 5.786 ( -2.482 -5.883 -3.970) 7.519 6.237 ( 1.214 -1.451 1.001) 2.140 6.249 ( 1.739 -2.450 -0.292) 3.019 6.579 ( -3.644 1.792 2.236) 4.636 6.606 ( -1.209 -1.352 -0.139) 1.820 6.712 ( -4.336 4.237 5.283) 8.041 6.788 ( -2.172 -1.346 3.764) 4.549 6.893 ( 4.291 2.115 -6.605) 8.156 6.954 ( 4.336 -1.734 -6.011) 7.611 7.075 ( 2.225 -0.346 0.504) 2.307 7.086 ( 1.063 -1.029 -1.090) 1.837 7.185 ( 1.470 -2.116 2.607) 3.665 7.220 ( 2.068 -5.006 -0.886) 5.489 7.450 ( -4.659 3.093 5.117) 7.580 7.487 ( -1.059 -0.471 2.229) 2.512 7.661 ( 0.913 1.574 -0.441) 1.872 7.676 ( 3.679 0.270 -1.079) 3.843 8.001 ( -0.025 3.558 0.780) 3.642 8.025 ( -1.455 2.144 -1.303) 2.901 8.188 ( 0.892 -0.156 2.072) 2.261 8.226 ( -2.418 -2.791 -1.398) 3.948 8.405 ( -0.104 2.723 1.750) 3.238 8.424 ( 0.971 1.519 0.886) 2.009 8.483 ( -2.650 3.186 0.223) 4.150 8.535 ( -5.035 -1.401 -3.417) 6.245 8.711 ( -1.625 -1.012 2.689) 3.301 8.719 ( -2.824 -1.666 3.568) 4.846 8.826 ( 4.184 1.950 -2.445) 5.224 8.853 ( 5.280 -0.655 -3.804) 6.541 12.512 ( -2.100 5.522 3.484) 6.858 12.587 ( 2.396 2.177 -3.707) 4.921 12.652 ( -1.504 -3.803 1.498) 4.355 12.704 ( 2.864 -4.799 -3.289) 6.484 13.864 ( 3.972 3.325 2.044) 5.568 13.916 ( -2.521 0.681 -1.721) 3.128 13.940 ( -0.166 -1.436 -1.012) 1.765 13.975 ( -2.763 -2.491 -3.132) 4.863 14.584 ( -18.560 9.034 15.227) 25.650 14.736 ( -15.833 -5.504 11.147) 20.131 14.852 ( 16.548 7.907 -9.922) 20.852 14.961 ( 21.694 -1.888 -9.318) 23.686 16.030 ( 0.327 1.308 -0.345) 1.392 16.037 ( -0.211 0.225 -0.697) 0.762 16.081 ( -0.522 -0.468 0.832) 1.089 16.103 ( -0.686 -2.079 -1.676) 2.758 16.196 ( 4.742 1.102 4.394) 6.558 16.218 ( 3.731 -0.977 3.057) 4.921 16.299 ( -5.291 0.636 -4.314) 6.857 16.309 ( -4.730 -0.235 -4.315) 6.407 17.727 ( -4.886 1.695 4.169) 6.642 17.780 ( -1.345 -1.906 0.257) 2.347 17.812 ( -1.632 -0.360 1.034) 1.966 17.866 ( 2.844 -3.982 -2.806) 5.641 18.062 ( -12.626 1.997 4.489) 13.548 18.139 ( -1.723 -2.229 1.622) 3.251 18.167 ( 4.941 0.932 -0.909) 5.110 18.268 ( 12.827 -5.875 -6.378) 15.483 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -13.125 21.329 7.200) 26.058 1.897 ( -9.806 0.885 -5.382) 11.221 1.945 ( -10.089 5.815 -4.882) 12.627 2.024 ( 4.515 13.752 -3.738) 14.949 2.093 ( -3.311 -2.458 0.471) 4.150 2.256 ( -6.000 -0.974 2.526) 6.583 2.290 ( -8.520 -9.817 -1.518) 13.087 2.314 ( -2.181 -3.371 -0.337) 4.029 2.461 ( 3.306 2.046 2.902) 4.851 2.604 ( 5.888 -10.467 2.079) 12.188 2.632 ( -4.840 6.977 1.603) 8.642 2.703 ( -1.264 2.222 3.470) 4.310 2.757 ( -2.518 -3.715 4.416) 6.296 2.866 ( 4.507 -6.749 -0.839) 8.159 3.010 ( 3.989 4.506 -6.018) 8.511 3.056 ( 3.517 -1.221 -7.279) 8.176 3.225 ( -5.161 5.270 0.506) 7.393 3.259 ( -6.094 3.024 -0.013) 6.803 3.355 ( 1.666 5.671 3.730) 6.990 3.443 ( -0.601 2.086 3.267) 3.923 3.482 ( -0.544 2.430 -2.633) 3.624 3.620 ( 3.701 -0.785 2.248) 4.401 3.672 ( 3.032 -3.204 -2.271) 4.961 3.738 ( 3.954 -4.713 3.209) 6.939 3.890 ( -1.303 1.590 5.594) 5.960 3.919 ( -1.064 3.426 -1.263) 3.803 3.953 ( 1.095 -1.567 1.697) 2.556 4.007 ( 3.437 -3.553 -0.692) 4.992 4.093 ( 6.149 5.215 -0.904) 8.114 4.193 ( 3.237 -2.045 -2.883) 4.793 4.219 ( 7.377 3.190 0.038) 8.037 4.325 ( 7.124 -3.613 -0.656) 8.014 4.408 ( -3.163 5.427 -3.092) 7.001 4.486 ( 0.569 -1.648 -0.588) 1.840 4.559 ( -2.134 3.050 0.039) 3.723 4.586 ( -1.639 1.780 -0.823) 2.556 4.725 ( -1.773 2.686 0.210) 3.225 4.780 ( 1.040 1.348 -1.097) 2.025 4.896 ( 0.763 -5.585 2.961) 6.367 4.916 ( 1.488 -3.841 0.577) 4.159 5.029 ( -3.395 2.513 -1.322) 4.426 5.066 ( -7.054 1.894 1.307) 7.420 5.103 ( -0.377 -0.521 -2.744) 2.818 5.123 ( 2.328 -4.734 0.937) 5.358 5.266 ( 1.172 0.023 1.463) 1.875 5.328 ( -4.307 -4.458 -0.681) 6.236 5.364 ( 2.432 6.054 3.487) 7.397 5.455 ( 0.961 -0.954 0.433) 1.422 5.640 ( -1.702 -0.694 -2.725) 3.287 5.670 ( -1.602 -2.475 -2.401) 3.802 5.744 ( 2.136 0.221 -0.029) 2.148 5.817 ( 3.878 -4.987 2.770) 6.898 6.232 ( -0.500 -1.619 -1.951) 2.584 6.241 ( -0.248 -2.654 -2.049) 3.362 6.570 ( -1.310 2.814 4.560) 5.516 6.610 ( -0.594 -2.067 2.824) 3.550 6.687 ( -3.679 3.896 4.338) 6.894 6.787 ( -3.905 -4.752 6.812) 9.178 6.913 ( 4.416 4.154 -10.087) 11.769 6.987 ( 4.888 -2.081 -6.896) 8.705 7.041 ( -0.078 1.494 -1.148) 1.886 7.078 ( -2.160 -2.593 -2.984) 4.505 7.222 ( 2.278 -1.472 -1.614) 3.156 7.239 ( 3.083 -3.556 -3.576) 5.911 7.424 ( -3.107 3.174 4.485) 6.312 7.479 ( -2.326 -2.138 2.721) 4.170 7.671 ( 1.736 3.759 -2.541) 4.858 7.728 ( 3.676 -1.893 -3.371) 5.335 7.995 ( -0.255 5.426 0.587) 5.463 8.053 ( 2.736 2.029 1.891) 3.896 8.154 ( -3.751 0.780 -1.101) 3.987 8.227 ( -0.479 -4.421 2.879) 5.298 8.291 ( -7.760 3.226 1.665) 8.567 8.367 ( -7.377 -2.717 1.507) 8.004 8.513 ( 1.103 2.280 3.084) 3.991 8.545 ( 1.444 -0.882 5.195) 5.464 8.672 ( -2.044 2.210 1.658) 3.437 8.717 ( -0.405 -1.892 1.719) 2.588 8.894 ( 6.219 2.699 -4.907) 8.369 8.934 ( 6.988 -0.974 -5.705) 9.074 12.499 ( -2.678 5.520 3.142) 6.893 12.584 ( 1.295 3.469 -3.712) 5.243 12.632 ( -1.987 -3.328 1.373) 4.112 12.729 ( 3.349 -6.671 -4.012) 8.475 13.786 ( -4.554 2.711 -1.136) 5.420 13.845 ( -4.894 -3.130 -0.070) 5.809 14.005 ( 4.991 2.255 2.082) 5.859 14.048 ( 4.128 -1.819 0.641) 4.556 14.404 ( -13.341 4.920 14.503) 20.310 14.487 ( -18.560 -3.739 10.892) 21.842 15.097 ( 20.193 12.264 -16.793) 28.986 15.245 ( 20.051 -2.288 -15.208) 25.269 15.994 ( -3.152 0.815 -0.014) 3.255 16.001 ( -3.188 -0.237 -0.124) 3.199 16.077 ( -0.791 -0.696 0.428) 1.137 16.083 ( -0.694 -1.482 1.727) 2.380 16.180 ( -1.245 0.480 -3.570) 3.812 16.198 ( -1.033 -1.107 -3.202) 3.542 16.365 ( 5.733 0.622 4.705) 7.442 16.371 ( 5.009 0.148 3.493) 6.108 17.587 ( -15.784 0.121 8.394) 17.878 17.652 ( -13.893 -6.373 8.108) 17.302 17.817 ( 1.357 2.372 -1.554) 3.144 17.869 ( 0.251 -1.729 -1.809) 2.515 17.927 ( -3.843 2.804 2.210) 5.245 18.033 ( -5.218 -6.833 4.103) 9.527 18.369 ( 12.465 2.766 -6.296) 14.236 18.434 ( 10.633 -3.850 -7.859) 13.771 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -11.616 20.383 9.517) 25.317 1.726 ( -3.553 1.085 -1.920) 4.182 1.832 ( 1.312 6.695 -2.217) 7.174 1.932 ( -6.905 -12.024 5.138) 14.787 2.043 ( -3.850 3.060 4.642) 6.763 2.201 ( -4.050 -3.941 4.196) 7.039 2.234 ( 1.388 3.095 -1.715) 3.801 2.338 ( 1.861 4.622 0.017) 4.983 2.425 ( -2.732 0.815 -3.919) 4.847 2.526 ( -9.180 -4.569 1.672) 10.390 2.646 ( 2.004 1.257 2.247) 3.262 2.726 ( 3.776 -5.898 -1.449) 7.152 2.869 ( 3.023 -0.373 1.678) 3.477 2.894 ( 2.626 -2.124 -3.641) 4.966 2.983 ( -0.713 1.007 -6.160) 6.283 3.019 ( 0.080 0.867 -2.827) 2.958 3.110 ( -5.810 3.228 0.196) 6.650 3.198 ( -4.909 -0.612 0.887) 5.026 3.367 ( -1.923 2.667 -1.107) 3.469 3.404 ( -3.543 -0.227 -2.220) 4.187 3.470 ( 2.415 9.395 -0.119) 9.702 3.637 ( 0.624 -5.909 -1.505) 6.129 3.765 ( -0.412 4.193 3.915) 5.751 3.830 ( 0.844 -1.189 -3.277) 3.587 3.914 ( 2.207 3.557 5.617) 7.005 3.937 ( 3.596 2.489 4.043) 5.956 4.017 ( 2.641 0.157 3.205) 4.156 4.096 ( 4.310 -4.424 2.464) 6.650 4.180 ( 1.969 2.153 -3.007) 4.190 4.234 ( 5.300 -0.494 -2.397) 5.838 4.325 ( 0.770 9.121 -5.981) 10.934 4.342 ( 4.946 3.157 -2.037) 6.211 4.411 ( 0.409 -2.275 -1.698) 2.868 4.449 ( -1.659 -1.782 -0.661) 2.523 4.491 ( -2.775 0.689 -3.096) 4.214 4.560 ( -0.191 -5.104 -5.354) 7.400 4.731 ( 0.527 3.582 3.138) 4.791 4.785 ( 0.955 -0.408 3.419) 3.573 4.879 ( -5.263 3.995 -0.119) 6.609 4.949 ( -0.822 1.684 -0.621) 1.974 4.962 ( 0.058 -3.163 1.557) 3.526 5.002 ( 2.431 -3.398 2.382) 4.810 5.132 ( -3.043 -0.599 5.438) 6.260 5.168 ( -0.161 -3.345 5.420) 6.371 5.288 ( 0.933 -2.195 -0.483) 2.433 5.312 ( 3.030 -4.521 -1.176) 5.568 5.427 ( -0.721 5.316 -1.200) 5.497 5.498 ( 4.685 4.266 1.367) 6.482 5.546 ( -4.675 -1.101 -1.432) 5.012 5.662 ( 2.778 -7.888 1.280) 8.460 5.781 ( 1.353 5.481 0.177) 5.648 5.881 ( 1.786 -4.401 0.130) 4.751 6.228 ( 1.584 -1.258 -0.148) 2.028 6.243 ( 1.836 -2.708 -0.196) 3.277 6.545 ( -5.371 3.020 -2.183) 6.537 6.590 ( -3.969 -2.149 -0.461) 4.536 6.661 ( -2.573 2.831 5.002) 6.297 6.756 ( -6.142 -5.604 5.205) 9.809 6.852 ( 0.877 1.702 -6.611) 6.883 6.907 ( -1.068 -3.471 -7.808) 8.611 7.099 ( 3.661 2.281 0.365) 4.328 7.107 ( 4.441 1.747 1.171) 4.914 7.228 ( 1.620 1.287 -3.493) 4.060 7.282 ( 5.099 -3.860 -4.502) 7.821 7.403 ( -1.978 1.168 0.849) 2.449 7.457 ( -1.664 -3.662 0.454) 4.047 7.684 ( 1.716 3.302 -1.352) 3.960 7.742 ( 1.942 -2.384 -4.413) 5.379 8.015 ( 0.452 5.008 2.117) 5.456 8.070 ( -4.797 3.187 2.156) 6.149 8.115 ( 2.145 -0.141 0.281) 2.168 8.173 ( -4.912 -3.211 -0.073) 5.869 8.229 ( -2.521 1.613 4.169) 5.132 8.287 ( -4.857 -3.410 4.286) 7.321 8.540 ( -0.646 1.576 0.638) 1.818 8.568 ( -0.748 -1.440 -0.252) 1.642 8.710 ( 0.706 3.087 6.258) 7.013 8.748 ( 0.751 -0.625 3.587) 3.718 8.948 ( 4.820 2.932 -5.159) 7.645 8.984 ( 4.885 -0.463 -6.491) 8.137 12.482 ( -2.278 6.163 2.887) 7.177 12.565 ( 1.153 7.688 -4.539) 9.002 12.616 ( -1.834 -6.626 3.060) 7.525 12.739 ( 2.544 -9.077 -5.402) 10.865 13.732 ( -1.102 2.237 0.895) 2.649 13.785 ( -2.407 -3.037 1.659) 4.216 13.988 ( -4.349 1.177 -2.533) 5.169 14.029 ( -5.391 -3.028 -3.854) 7.286 14.420 ( -3.594 5.297 21.053) 22.005 14.489 ( 0.490 -1.404 22.065) 22.115 15.218 ( 14.105 13.486 -24.221) 31.104 15.369 ( 13.385 -1.121 -23.144) 26.759 15.958 ( -1.426 0.261 2.798) 3.151 15.964 ( -0.930 -0.336 1.992) 2.224 16.074 ( -0.459 -0.602 0.924) 1.194 16.089 ( -0.811 -2.056 2.104) 3.052 16.149 ( 0.750 0.629 -3.131) 3.281 16.172 ( 1.024 -1.417 -2.843) 3.338 16.372 ( -5.567 0.503 -4.203) 6.994 16.393 ( -5.034 -1.578 -4.102) 6.683 17.476 ( -7.665 1.430 19.010) 20.547 17.570 ( -6.058 -7.935 16.461) 19.252 17.818 ( 1.084 1.291 -2.895) 3.350 17.855 ( 0.171 -2.085 -2.717) 3.429 17.936 ( 0.324 3.404 6.205) 7.085 18.028 ( -1.277 -5.631 6.510) 8.702 18.458 ( 6.076 0.222 -11.208) 12.751 18.471 ( 3.800 -1.101 -11.980) 12.616 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.870 14.929 11.682) 18.976 1.654 ( 1.425 5.972 -7.838) 9.956 1.839 ( -3.935 -5.438 5.613) 8.750 1.967 ( 5.707 -6.513 -3.303) 9.268 2.117 ( 2.897 0.675 8.748) 9.240 2.182 ( -2.403 -5.121 0.591) 5.687 2.256 ( 2.892 8.232 4.063) 9.625 2.350 ( 1.771 6.517 -3.759) 7.730 2.405 ( -2.092 2.319 2.110) 3.770 2.451 ( 2.075 -5.459 4.623) 7.449 2.637 ( -3.535 4.852 -7.528) 9.628 2.721 ( 2.526 -2.470 -7.568) 8.352 2.836 ( -4.272 -1.019 2.463) 5.035 2.912 ( 2.401 -6.081 -4.645) 8.019 2.961 ( 0.999 -2.906 -3.307) 4.514 2.987 ( 0.874 -5.171 -2.116) 5.655 3.050 ( -3.613 8.411 4.513) 10.206 3.111 ( -2.124 3.927 0.796) 4.535 3.338 ( -0.210 0.903 -2.283) 2.464 3.347 ( 2.223 0.925 -1.512) 2.844 3.542 ( 1.603 6.809 6.171) 9.327 3.632 ( -2.560 -1.625 0.139) 3.036 3.706 ( -3.360 -0.253 2.004) 3.920 3.773 ( -2.960 -6.358 -3.986) 8.067 4.004 ( -0.594 7.459 2.386) 7.854 4.032 ( 2.532 7.397 2.334) 8.159 4.080 ( -1.342 1.704 1.576) 2.681 4.116 ( 0.879 3.608 -2.383) 4.412 4.230 ( 3.245 -1.377 5.450) 6.491 4.280 ( -2.354 -3.745 1.216) 4.587 4.293 ( -1.538 1.481 0.816) 2.286 4.346 ( -4.079 -1.236 -2.042) 4.726 4.382 ( 5.080 2.968 -5.080) 7.773 4.412 ( 0.880 -0.006 -3.183) 3.303 4.461 ( 2.302 -3.406 -3.468) 5.379 4.476 ( -1.394 -4.741 -7.405) 8.902 4.754 ( -0.245 6.869 3.476) 7.703 4.814 ( 0.371 6.368 -2.095) 6.714 4.876 ( 0.860 -3.277 4.297) 5.472 4.930 ( 1.578 -3.048 -1.353) 3.689 5.057 ( -1.065 0.828 3.330) 3.592 5.077 ( 3.020 -0.117 0.133) 3.025 5.114 ( 0.379 -1.061 3.916) 4.075 5.141 ( -3.844 -3.071 1.897) 5.273 5.295 ( 0.077 0.132 1.691) 1.698 5.326 ( -0.480 -2.978 -0.618) 3.079 5.417 ( 0.979 1.787 0.257) 2.054 5.484 ( 0.890 -4.091 -4.398) 6.072 5.629 ( 4.324 3.947 3.278) 6.710 5.678 ( -2.344 0.771 -1.808) 3.059 5.835 ( 2.193 -0.765 2.747) 3.598 5.882 ( -1.283 -3.653 -1.886) 4.307 6.279 ( 2.506 0.686 2.400) 3.538 6.309 ( 2.839 -2.043 1.691) 3.885 6.391 ( -3.844 0.811 -2.010) 4.413 6.445 ( -6.517 -4.481 -4.766) 9.234 6.687 ( 0.257 1.148 3.548) 3.738 6.716 ( -1.276 -1.273 1.777) 2.531 6.845 ( 1.679 -0.974 -3.333) 3.856 6.857 ( 2.291 -1.620 -3.744) 4.679 7.139 ( -1.113 3.712 2.056) 4.387 7.177 ( 0.523 0.597 2.903) 3.009 7.220 ( 0.013 4.057 -2.707) 4.877 7.296 ( 1.535 -1.753 -5.992) 6.429 7.397 ( -0.555 -3.174 1.737) 3.661 7.422 ( -1.416 -4.868 -0.977) 5.163 7.693 ( 0.132 1.501 -0.689) 1.657 7.722 ( 0.557 -1.339 -3.603) 3.884 8.039 ( -1.368 1.728 2.885) 3.631 8.047 ( 1.133 0.905 2.068) 2.526 8.126 ( -0.445 1.143 -0.055) 1.228 8.139 ( 1.409 0.345 -1.307) 1.953 8.252 ( -2.190 0.006 3.269) 3.935 8.253 ( 0.406 -0.097 3.841) 3.864 8.524 ( -0.084 0.577 -0.814) 1.001 8.543 ( -0.041 -1.312 -2.261) 2.615 8.771 ( -1.747 2.046 6.762) 7.278 8.787 ( -1.679 0.361 5.026) 5.311 8.963 ( 1.779 2.429 -4.811) 5.675 8.984 ( 1.817 0.392 -6.309) 6.577 12.477 ( -1.310 6.949 2.961) 7.666 12.546 ( 1.763 8.219 -4.401) 9.489 12.626 ( -1.089 -8.307 4.035) 9.299 12.719 ( 1.604 -9.453 -5.871) 11.243 13.761 ( 2.168 0.818 1.801) 2.935 13.780 ( 0.319 -0.937 0.251) 1.021 13.899 ( -1.861 -0.632 -0.928) 2.174 13.911 ( -2.127 -1.699 -1.769) 3.246 14.610 ( -3.292 8.765 25.557) 27.218 14.743 ( -0.760 -4.609 25.889) 26.307 15.130 ( 4.601 12.863 -29.061) 32.112 15.267 ( 3.083 -0.265 -29.376) 29.539 16.006 ( 2.258 0.424 4.175) 4.765 16.014 ( 2.561 -0.389 3.950) 4.723 16.071 ( -0.512 -0.847 -0.755) 1.245 16.086 ( -1.007 -2.282 -1.016) 2.693 16.124 ( -1.964 0.934 -0.124) 2.178 16.161 ( -2.935 -2.462 -2.825) 4.760 16.202 ( -0.951 0.824 -0.557) 1.376 16.233 ( -2.544 -2.409 -3.512) 4.961 17.605 ( -0.304 1.330 15.620) 15.679 17.678 ( 0.119 -5.617 11.460) 12.763 17.800 ( 1.113 0.344 -4.881) 5.018 17.822 ( 0.231 -1.680 -4.109) 4.445 18.056 ( 1.674 1.070 13.298) 13.446 18.110 ( 0.014 -4.085 11.954) 12.633 18.346 ( -1.608 1.709 -15.775) 15.948 18.388 ( 0.808 -2.475 -15.435) 15.652 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 5.974 8.303 9.497) 13.958 1.648 ( 8.835 16.870 -11.342) 22.165 1.801 ( -4.172 -0.981 3.063) 5.268 2.032 ( 4.489 -13.228 -3.426) 14.383 2.149 ( -0.253 3.934 -2.781) 4.825 2.181 ( -6.535 14.173 -4.988) 16.385 2.266 ( 5.128 -6.872 2.910) 9.054 2.333 ( 3.095 4.866 -0.773) 5.819 2.448 ( 0.717 0.204 -3.634) 3.709 2.563 ( 9.312 -0.683 2.536) 9.675 2.631 ( -1.777 -6.986 -0.991) 7.277 2.657 ( 2.064 -3.966 2.979) 5.372 2.843 ( 0.934 0.944 -0.373) 1.380 2.896 ( -2.558 -1.764 -1.639) 3.513 2.962 ( 4.174 -3.569 0.353) 5.503 2.989 ( -0.543 -2.875 -2.400) 3.784 3.077 ( 1.621 8.418 7.502) 11.391 3.159 ( 3.746 3.024 2.966) 5.655 3.333 ( 3.111 3.691 -0.207) 4.832 3.403 ( 3.292 -0.646 -3.683) 4.982 3.521 ( -5.055 3.528 -3.081) 6.892 3.630 ( -1.373 -4.769 2.091) 5.385 3.690 ( -0.915 1.873 6.766) 7.080 3.746 ( -1.090 -3.396 7.811) 8.587 3.958 ( -3.549 4.061 -1.236) 5.533 3.994 ( -6.980 1.652 -0.106) 7.173 4.066 ( -4.171 3.132 -3.480) 6.271 4.078 ( -3.007 2.766 1.369) 4.309 4.203 ( -4.661 4.529 -0.353) 6.509 4.240 ( -2.627 4.219 -0.005) 4.970 4.277 ( -2.688 -0.383 1.144) 2.947 4.330 ( 0.033 1.442 -2.837) 3.183 4.371 ( 0.532 -5.163 0.912) 5.270 4.430 ( 2.282 -5.762 -0.997) 6.278 4.479 ( 5.168 -0.488 -0.826) 5.256 4.490 ( 4.168 -1.981 -0.651) 4.660 4.802 ( 1.369 4.232 -1.695) 4.760 4.835 ( 3.016 3.995 0.595) 5.041 4.870 ( -0.887 1.046 -1.630) 2.131 4.937 ( -1.674 1.684 0.137) 2.379 4.963 ( -0.857 -1.288 -0.674) 1.687 5.033 ( -3.809 -4.605 0.387) 5.989 5.220 ( 3.506 0.340 0.114) 3.525 5.236 ( 4.969 0.176 2.274) 5.468 5.293 ( -1.622 -1.853 -0.483) 2.510 5.301 ( -1.644 -2.052 -3.334) 4.246 5.430 ( -0.257 0.489 -2.851) 2.904 5.468 ( 2.299 -1.954 1.350) 3.305 5.576 ( -3.256 4.339 -3.654) 6.540 5.686 ( -0.937 -4.273 0.220) 4.380 5.799 ( -3.761 1.700 -1.722) 4.472 5.870 ( -0.573 -3.619 1.302) 3.889 6.246 ( -2.936 -1.000 -2.228) 3.819 6.261 ( -3.513 -2.251 -2.066) 4.656 6.453 ( 5.749 3.116 5.927) 8.826 6.523 ( 6.802 -4.113 7.006) 10.596 6.707 ( -0.193 0.927 0.648) 1.147 6.745 ( 1.410 -2.723 3.028) 4.310 6.839 ( 3.301 3.120 -4.891) 6.675 6.905 ( 5.357 -2.827 -4.043) 7.283 7.103 ( -4.062 3.402 0.301) 5.307 7.150 ( -3.392 0.380 -2.831) 4.434 7.191 ( -3.205 -1.614 4.080) 5.434 7.213 ( -4.655 -2.671 -2.795) 6.051 7.390 ( 0.606 0.716 1.881) 2.102 7.441 ( 1.301 -4.041 1.833) 4.624 7.683 ( -1.270 0.286 0.893) 1.578 7.687 ( -1.385 0.037 -2.245) 2.638 8.045 ( -0.289 3.194 -0.549) 3.254 8.087 ( 0.537 -0.511 1.523) 1.694 8.131 ( 2.101 3.265 -1.991) 4.363 8.175 ( 3.584 -1.329 -0.152) 3.825 8.265 ( 1.269 3.060 1.202) 3.524 8.321 ( 3.348 -2.266 2.083) 4.548 8.539 ( 1.910 0.106 0.450) 1.965 8.548 ( 2.242 -0.883 -0.467) 2.455 8.758 ( -4.591 2.256 3.476) 6.185 8.784 ( -3.896 -0.199 4.246) 5.766 8.911 ( -2.425 2.280 -4.029) 5.226 8.935 ( -1.329 0.007 -4.293) 4.494 12.490 ( -0.724 7.244 3.286) 7.987 12.549 ( 2.990 6.685 -4.170) 8.427 12.645 ( -1.171 -8.316 3.881) 9.251 12.696 ( 1.813 -7.966 -4.825) 9.488 13.763 ( 0.823 2.881 -2.304) 3.780 13.825 ( 2.964 -3.033 -2.341) 4.844 13.930 ( 3.806 0.418 3.258) 5.027 13.958 ( 5.053 -2.136 3.718) 6.627 14.741 ( -9.893 9.940 24.224) 27.991 14.871 ( -1.910 8.744 -22.121) 23.863 14.889 ( -7.472 -3.065 8.456) 11.693 14.982 ( -3.347 -1.879 -14.484) 14.984 16.018 ( -0.293 0.536 -3.033) 3.094 16.021 ( 0.235 0.352 -2.903) 2.933 16.081 ( 0.221 0.721 2.223) 2.347 16.081 ( 0.187 0.626 1.463) 1.602 16.113 ( -0.283 -1.730 2.355) 2.936 16.135 ( 0.522 -3.987 -1.147) 4.182 16.294 ( 6.842 0.486 3.480) 7.692 16.311 ( 7.127 -1.261 4.088) 8.313 17.701 ( -0.656 1.203 5.297) 5.472 17.739 ( 1.612 -1.444 -3.901) 4.461 17.789 ( 0.921 -1.801 1.622) 2.593 17.798 ( 2.236 -1.740 -4.369) 5.207 18.146 ( -2.256 3.771 -14.892) 15.527 18.203 ( -2.320 -1.189 13.034) 13.292 18.226 ( -2.111 -3.132 11.896) 12.481 18.235 ( 0.350 -4.324 -11.934) 12.698 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 5.808 11.675 -3.628) 13.535 1.792 ( 12.551 14.317 0.476) 19.046 1.836 ( 7.049 7.452 6.308) 12.042 1.993 ( -6.154 12.645 -2.011) 14.206 2.106 ( 2.474 0.472 -0.533) 2.574 2.205 ( 3.647 0.307 5.920) 6.960 2.295 ( -2.097 -7.970 -1.082) 8.312 2.416 ( 8.441 -12.632 -8.319) 17.321 2.450 ( 1.242 0.572 0.923) 1.650 2.590 ( -4.910 -10.181 3.804) 11.926 2.707 ( 4.168 5.317 -3.797) 7.750 2.770 ( 3.982 -1.338 3.426) 5.421 2.826 ( -1.647 1.120 -2.269) 3.020 2.850 ( 5.944 -2.559 -7.545) 9.940 2.948 ( -3.191 3.362 1.803) 4.973 3.001 ( -0.613 -4.474 -0.155) 4.519 3.212 ( 4.568 6.313 2.470) 8.175 3.241 ( 2.004 3.974 1.201) 4.610 3.381 ( 0.969 3.863 0.563) 4.022 3.421 ( -2.425 8.238 -0.294) 8.592 3.457 ( 2.768 -3.015 3.673) 5.499 3.593 ( -1.760 -8.506 2.491) 9.036 3.730 ( -6.714 2.988 -3.361) 8.081 3.801 ( 1.068 -3.776 2.330) 4.564 3.837 ( -6.155 1.821 2.577) 6.916 3.852 ( -5.978 -0.044 4.476) 7.469 3.982 ( -5.811 -1.313 1.657) 6.184 3.989 ( -0.942 -1.794 -1.110) 2.310 4.109 ( -5.488 8.452 1.382) 10.172 4.166 ( -0.756 4.238 -4.341) 6.113 4.254 ( -3.391 -1.697 -1.274) 4.000 4.286 ( -4.974 -4.237 0.580) 6.560 4.383 ( 4.023 4.486 0.345) 6.036 4.492 ( 3.230 -3.881 -1.386) 5.236 4.570 ( 4.444 -0.522 -0.305) 4.485 4.574 ( 3.186 -0.370 1.659) 3.611 4.760 ( -1.028 4.346 -4.192) 6.124 4.807 ( 0.011 0.940 -3.326) 3.457 4.912 ( -1.517 -0.416 1.564) 2.218 4.951 ( -3.252 -2.116 -1.713) 4.241 4.979 ( 4.828 3.259 3.574) 6.834 5.033 ( 3.736 -1.537 2.299) 4.648 5.155 ( -1.998 0.581 -5.361) 5.751 5.186 ( -2.151 -3.960 -6.488) 7.899 5.287 ( -1.148 -1.773 -0.959) 2.320 5.328 ( 4.014 -3.490 -0.088) 5.320 5.422 ( -1.287 6.182 -1.145) 6.418 5.450 ( -0.282 5.391 0.539) 5.425 5.602 ( -0.583 -5.110 0.014) 5.143 5.638 ( 2.072 -7.117 0.454) 7.427 5.755 ( -1.662 4.147 -0.191) 4.472 5.851 ( -1.701 -4.599 -0.756) 4.961 6.204 ( -0.142 -1.340 0.749) 1.542 6.220 ( 0.043 -3.223 0.025) 3.223 6.593 ( 1.463 3.061 3.661) 4.991 6.632 ( -0.009 -1.871 0.995) 2.119 6.716 ( -0.532 3.836 3.271) 5.069 6.794 ( -0.746 -0.500 2.543) 2.697 6.881 ( 3.878 0.255 -2.546) 4.647 6.943 ( 3.354 -1.854 -5.512) 6.713 7.038 ( 0.668 -1.033 -0.528) 1.339 7.053 ( -1.489 -2.678 -2.001) 3.660 7.169 ( -2.458 -1.222 3.106) 4.145 7.177 ( 0.040 -1.998 2.990) 3.596 7.441 ( 1.416 2.173 2.714) 3.754 7.481 ( 0.090 -1.691 2.222) 2.794 7.647 ( -0.619 1.067 -0.391) 1.294 7.664 ( -2.014 -0.549 2.059) 2.932 8.017 ( -0.935 4.098 -1.725) 4.544 8.075 ( -2.216 -0.531 -0.224) 2.290 8.160 ( 2.116 3.957 -1.131) 4.627 8.239 ( 1.669 -2.856 0.908) 3.430 8.323 ( 4.822 3.910 -0.771) 6.256 8.390 ( 2.215 -2.497 0.491) 3.374 8.560 ( -0.759 3.381 -1.574) 3.806 8.612 ( 3.442 -2.360 -0.999) 4.291 8.709 ( -3.111 0.297 1.916) 3.666 8.717 ( -3.157 0.568 0.151) 3.211 8.833 ( -3.763 1.681 1.434) 4.364 8.863 ( -2.094 -0.938 -2.490) 3.386 12.507 ( -1.129 6.461 3.542) 7.454 12.569 ( 3.384 4.190 -4.002) 6.710 12.656 ( -1.156 -6.273 2.677) 6.918 12.692 ( 2.096 -5.888 -3.562) 7.194 13.783 ( 3.296 3.674 -1.008) 5.037 13.861 ( 3.777 -3.932 -1.819) 5.748 14.019 ( 0.259 1.444 0.808) 1.675 14.053 ( -0.286 -1.882 0.640) 2.008 14.694 ( 6.008 5.689 -13.752) 16.050 14.715 ( -5.459 6.570 4.834) 9.815 14.762 ( -0.200 5.907 -1.280) 6.048 14.922 ( -13.641 -7.637 16.614) 22.812 16.013 ( 1.949 1.839 -1.954) 3.317 16.026 ( 2.191 0.286 -1.782) 2.838 16.085 ( -0.329 0.360 0.219) 0.534 16.106 ( 0.344 1.217 3.135) 3.381 16.127 ( 0.598 -3.436 -1.946) 3.993 16.144 ( 1.666 -1.985 1.540) 3.014 16.398 ( -0.335 0.640 0.244) 0.763 16.413 ( -0.728 -0.859 -0.160) 1.137 17.723 ( 1.739 1.678 0.008) 2.417 17.748 ( 4.188 -0.262 -3.681) 5.582 17.820 ( -0.344 -2.694 2.059) 3.408 17.824 ( 4.025 -2.407 -2.761) 5.443 18.033 ( 4.288 5.929 -9.198) 11.753 18.154 ( 4.748 -5.981 -8.340) 11.308 18.219 ( -8.580 -0.326 8.710) 12.230 18.262 ( -7.241 -4.552 9.635) 12.884 =================== 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 3/29160 10.0 567.407 374.395 487.838 0.000 117.391 0.000 3/29160 20.0 110.342 113.256 140.972 0.000 1.000 0.000 3/29160 30.0 41.054 45.450 52.360 0.000 -0.394 0.000 3/29160 40.0 21.328 24.219 26.948 0.000 -0.176 0.000 3/29160 50.0 13.505 15.525 16.953 0.000 -0.067 0.000 3/29160 60.0 9.643 11.158 12.051 0.000 -0.018 0.000 3/29160 70.0 7.435 8.633 9.261 0.000 0.006 0.000 3/29160 80.0 6.035 7.023 7.499 0.000 0.018 0.000 3/29160 90.0 5.080 5.919 6.300 0.000 0.024 0.000 3/29160 100.0 4.391 5.120 5.437 0.000 0.027 0.000 3/29160 110.0 3.871 4.518 4.788 0.000 0.028 0.000 3/29160 120.0 3.467 4.048 4.283 0.000 0.028 0.000 3/29160 130.0 3.142 3.672 3.880 0.000 0.028 0.000 3/29160 140.0 2.877 3.364 3.550 0.000 0.027 0.000 3/29160 150.0 2.656 3.107 3.275 0.000 0.026 0.000 3/29160 160.0 2.468 2.889 3.042 0.000 0.026 0.000 3/29160 170.0 2.306 2.701 2.842 0.000 0.025 0.000 3/29160 180.0 2.166 2.538 2.668 0.000 0.024 0.000 3/29160 190.0 2.043 2.395 2.516 0.000 0.024 0.000 3/29160 200.0 1.934 2.268 2.381 0.000 0.023 0.000 3/29160 210.0 1.836 2.155 2.261 0.000 0.022 0.000 3/29160 220.0 1.749 2.053 2.153 0.000 0.022 0.000 3/29160 230.0 1.670 1.961 2.055 0.000 0.021 0.000 3/29160 240.0 1.597 1.877 1.966 0.000 0.021 0.000 3/29160 250.0 1.532 1.800 1.885 0.000 0.020 0.000 3/29160 260.0 1.471 1.730 1.810 0.000 0.020 0.000 3/29160 270.0 1.416 1.665 1.742 0.000 0.019 0.000 3/29160 280.0 1.364 1.605 1.678 0.000 0.019 0.000 3/29160 290.0 1.316 1.549 1.619 0.000 0.018 0.000 3/29160 300.0 1.272 1.497 1.565 0.000 0.018 0.000 3/29160 310.0 1.230 1.448 1.513 0.000 0.017 0.000 3/29160 320.0 1.192 1.403 1.466 0.000 0.017 0.000 3/29160 330.0 1.155 1.360 1.421 0.000 0.017 0.000 3/29160 340.0 1.121 1.320 1.379 0.000 0.016 0.000 3/29160 350.0 1.089 1.283 1.339 0.000 0.016 0.000 3/29160 360.0 1.058 1.247 1.302 0.000 0.015 0.000 3/29160 370.0 1.030 1.213 1.266 0.000 0.015 0.000 3/29160 380.0 1.003 1.182 1.233 0.000 0.015 0.000 3/29160 390.0 0.977 1.151 1.201 0.000 0.015 0.000 3/29160 400.0 0.952 1.123 1.171 0.000 0.014 0.000 3/29160 410.0 0.929 1.095 1.143 0.000 0.014 0.000 3/29160 420.0 0.907 1.069 1.115 0.000 0.014 0.000 3/29160 430.0 0.886 1.045 1.090 0.000 0.013 0.000 3/29160 440.0 0.866 1.021 1.065 0.000 0.013 0.000 3/29160 450.0 0.847 0.999 1.041 0.000 0.013 0.000 3/29160 460.0 0.828 0.977 1.019 0.000 0.013 0.000 3/29160 470.0 0.811 0.956 0.997 0.000 0.012 0.000 3/29160 480.0 0.794 0.936 0.976 0.000 0.012 0.000 3/29160 490.0 0.778 0.917 0.956 0.000 0.012 0.000 3/29160 500.0 0.762 0.899 0.937 0.000 0.012 0.000 3/29160 510.0 0.747 0.882 0.919 0.000 0.012 0.000 3/29160 520.0 0.733 0.865 0.901 0.000 0.011 0.000 3/29160 530.0 0.719 0.848 0.884 0.000 0.011 0.000 3/29160 540.0 0.706 0.833 0.868 0.000 0.011 0.000 3/29160 550.0 0.693 0.818 0.852 0.000 0.011 0.000 3/29160 560.0 0.681 0.803 0.837 0.000 0.011 0.000 3/29160 570.0 0.669 0.789 0.822 0.000 0.011 0.000 3/29160 580.0 0.657 0.776 0.808 0.000 0.010 0.000 3/29160 590.0 0.646 0.763 0.794 0.000 0.010 0.000 3/29160 600.0 0.635 0.750 0.781 0.000 0.010 0.000 3/29160 610.0 0.625 0.738 0.768 0.000 0.010 0.000 3/29160 620.0 0.615 0.726 0.756 0.000 0.010 0.000 3/29160 630.0 0.605 0.714 0.744 0.000 0.010 0.000 3/29160 640.0 0.596 0.703 0.733 0.000 0.010 0.000 3/29160 650.0 0.587 0.693 0.721 0.000 0.009 0.000 3/29160 660.0 0.578 0.682 0.710 0.000 0.009 0.000 3/29160 670.0 0.569 0.672 0.700 0.000 0.009 0.000 3/29160 680.0 0.561 0.662 0.690 0.000 0.009 0.000 3/29160 690.0 0.553 0.653 0.680 0.000 0.009 0.000 3/29160 700.0 0.545 0.643 0.670 0.000 0.009 0.000 3/29160 710.0 0.537 0.634 0.660 0.000 0.009 0.000 3/29160 720.0 0.530 0.625 0.651 0.000 0.009 0.000 3/29160 730.0 0.522 0.617 0.642 0.000 0.008 0.000 3/29160 740.0 0.515 0.609 0.634 0.000 0.008 0.000 3/29160 750.0 0.509 0.601 0.625 0.000 0.008 0.000 3/29160 760.0 0.502 0.593 0.617 0.000 0.008 0.000 3/29160 770.0 0.495 0.585 0.609 0.000 0.008 0.000 3/29160 780.0 0.489 0.578 0.601 0.000 0.008 0.000 3/29160 790.0 0.483 0.570 0.594 0.000 0.008 0.000 3/29160 800.0 0.477 0.563 0.586 0.000 0.008 0.000 3/29160 810.0 0.471 0.556 0.579 0.000 0.008 0.000 3/29160 820.0 0.465 0.549 0.572 0.000 0.008 0.000 3/29160 830.0 0.460 0.543 0.565 0.000 0.007 0.000 3/29160 840.0 0.454 0.536 0.558 0.000 0.007 0.000 3/29160 850.0 0.449 0.530 0.552 0.000 0.007 0.000 3/29160 860.0 0.444 0.524 0.545 0.000 0.007 0.000 3/29160 870.0 0.439 0.518 0.539 0.000 0.007 0.000 3/29160 880.0 0.434 0.512 0.533 0.000 0.007 0.000 3/29160 890.0 0.429 0.506 0.527 0.000 0.007 0.000 3/29160 900.0 0.424 0.501 0.521 0.000 0.007 0.000 3/29160 910.0 0.419 0.495 0.516 0.000 0.007 0.000 3/29160 920.0 0.415 0.490 0.510 0.000 0.007 0.000 3/29160 930.0 0.410 0.485 0.504 0.000 0.007 0.000 3/29160 940.0 0.406 0.480 0.499 0.000 0.007 0.000 3/29160 950.0 0.402 0.474 0.494 0.000 0.007 0.000 3/29160 960.0 0.398 0.470 0.489 0.000 0.007 0.000 3/29160 970.0 0.393 0.465 0.484 0.000 0.006 0.000 3/29160 980.0 0.389 0.460 0.479 0.000 0.006 0.000 3/29160 990.0 0.385 0.455 0.474 0.000 0.006 0.000 3/29160 1000.0 0.382 0.451 0.469 0.000 0.006 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:35:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|