----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:05:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.119781120844456 -3.509777995000000 0.000000000000000 b 8.119781120844456 3.509777995000000 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): *1 Li 0.20728771429695 0.79271228570305 0.25000000000000 6.941 2 Li 0.79271228570305 0.20728771429695 0.75000000000000 6.941 *3 Y 0.70463244430365 0.29536755569635 0.25000000000000 88.906 4 Y 0.29536755569635 0.70463244430365 0.75000000000000 88.906 *5 P 0.49721179073650 0.79352425387606 0.59663869232485 30.974 *6 P 0.18780730434158 0.08520272838021 0.15776069008425 30.974 7 P 0.81219269565842 0.91479727161979 0.84223930991575 30.974 8 P 0.50278820926350 0.20647574612394 0.40336130767515 30.974 9 P 0.91479727161979 0.81219269565842 0.34223930991575 30.974 10 P 0.79352425387606 0.49721179073650 0.09663869232484 30.974 11 P 0.20647574612394 0.50278820926350 0.90336130767515 30.974 12 P 0.08520272838021 0.18780730434158 0.65776069008425 30.974 *13 O 0.06204083580921 0.06597379965471 0.70194814073803 15.999 *14 O 0.16862732572016 0.32121756262104 0.84114218049436 15.999 *15 O 0.34954459746726 0.51142056123173 0.08515503797131 15.999 16 O 0.67878243737896 0.83137267427984 0.65885781950564 15.999 17 O 0.65045540253274 0.48857943876827 0.91484496202869 15.999 18 O 0.93795916419079 0.93402620034529 0.29805185926197 15.999 *19 O 0.02890445333846 0.28218985515070 0.07631065366906 15.999 20 O 0.93402620034529 0.93795916419079 0.79805185926197 15.999 *21 O 0.48916589011550 0.25687264990731 0.26961464676445 15.999 22 O 0.74312735009270 0.51083410988449 0.23038535323555 15.999 *23 O 0.32924797459288 0.89529609365959 0.04113152388180 15.999 24 O 0.97109554666154 0.71781014484930 0.92368934633094 15.999 25 O 0.10470390634041 0.67075202540712 0.45886847611820 15.999 26 O 0.28218985515070 0.02890445333846 0.57631065366906 15.999 27 O 0.25687264990731 0.48916589011550 0.76961464676445 15.999 28 O 0.83137267427983 0.67878243737896 0.15885781950564 15.999 29 O 0.06597379965471 0.06204083580921 0.20194814073803 15.999 30 O 0.71781014484930 0.97109554666154 0.42368934633094 15.999 31 O 0.48857943876827 0.65045540253274 0.41484496202869 15.999 32 O 0.89529609365959 0.32924797459288 0.54113152388180 15.999 33 O 0.51083410988449 0.74312735009270 0.73038535323555 15.999 34 O 0.67075202540712 0.10470390634041 0.95886847611820 15.999 35 O 0.32121756262104 0.16862732572016 0.34114218049436 15.999 36 O 0.51142056123173 0.34954459746726 0.58515503797131 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.239562241688912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.019555990000000 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): *1 Li 0.00000000000000 0.79271228570305 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.20728771429695 0.75000000000000 6.941 > 2 3 Li 0.50000000000000 0.29271228570305 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.70728771429695 0.75000000000000 6.941 > 2 *5 Y 0.00000000000000 0.29536755569635 0.25000000000000 88.906 > 3 6 Y 0.00000000000000 0.70463244430365 0.75000000000000 88.906 > 4 7 Y 0.50000000000000 0.79536755569635 0.25000000000000 88.906 > 3 8 Y 0.50000000000000 0.20463244430365 0.75000000000000 88.906 > 4 *9 P 0.14536802230628 0.64815623156978 0.59663869232485 30.974 > 5 *10 P 0.63650501636090 0.44869771201932 0.15776069008425 30.974 > 6 11 P 0.36349498363910 0.55130228798069 0.84223930991575 30.974 > 7 12 P 0.85463197769372 0.35184376843022 0.40336130767515 30.974 > 8 13 P 0.86349498363910 0.94869771201931 0.34223930991575 30.974 > 9 14 P 0.64536802230628 0.85184376843022 0.09663869232484 30.974 > 10 15 P 0.35463197769372 0.14815623156978 0.90336130767515 30.974 > 11 16 P 0.13650501636090 0.05130228798069 0.65776069008425 30.974 > 12 17 P 0.64536802230628 0.14815623156978 0.59663869232485 30.974 > 5 18 P 0.13650501636090 0.94869771201931 0.15776069008425 30.974 > 6 19 P 0.86349498363910 0.05130228798069 0.84223930991575 30.974 > 7 20 P 0.35463197769372 0.85184376843022 0.40336130767515 30.974 > 8 21 P 0.36349498363910 0.44869771201932 0.34223930991575 30.974 > 9 22 P 0.14536802230628 0.35184376843022 0.09663869232484 30.974 > 10 23 P 0.85463197769372 0.64815623156978 0.90336130767515 30.974 > 11 24 P 0.63650501636090 0.55130228798069 0.65776069008425 30.974 > 12 *25 O 0.06400731773196 0.00196648192275 0.70194814073803 15.999 > 13 *26 O 0.24492244417060 0.07629511845044 0.84114218049436 15.999 > 14 *27 O 0.93048257934949 0.58093798188223 0.08515503797131 15.999 > 15 28 O 0.25507755582940 0.57629511845044 0.65885781950564 15.999 > 16 29 O 0.06951742065051 0.41906201811777 0.91484496202869 15.999 > 17 30 O 0.93599268226804 0.99803351807725 0.29805185926197 15.999 > 18 *31 O 0.65554715424458 0.62664270090612 0.07631065366906 15.999 > 19 32 O 0.93599268226804 0.00196648192275 0.79805185926197 15.999 > 20 *33 O 0.87301927001141 0.38385337989590 0.26961464676445 15.999 > 21 34 O 0.62698072998859 0.88385337989590 0.23038535323555 15.999 > 22 *35 O 0.61227203412624 0.28302405953336 0.04113152388180 15.999 > 23 36 O 0.34445284575542 0.37335729909388 0.92368934633094 15.999 > 24 37 O 0.88772796587376 0.78302405953336 0.45886847611820 15.999 > 25 38 O 0.15554715424458 0.87335729909388 0.57631065366906 15.999 > 26 39 O 0.37301927001141 0.11614662010410 0.76961464676445 15.999 > 27 40 O 0.75507755582940 0.92370488154956 0.15885781950564 15.999 > 28 41 O 0.06400731773196 0.99803351807725 0.20194814073803 15.999 > 29 42 O 0.84445284575542 0.12664270090612 0.42368934633094 15.999 > 30 43 O 0.06951742065051 0.58093798188223 0.41484496202869 15.999 > 31 44 O 0.11227203412624 0.21697594046664 0.54113152388180 15.999 > 32 45 O 0.12698072998859 0.61614662010410 0.73038535323555 15.999 > 33 46 O 0.38772796587376 0.71697594046664 0.95886847611820 15.999 > 34 47 O 0.74492244417060 0.42370488154956 0.34114218049436 15.999 > 35 48 O 0.93048257934949 0.41906201811777 0.58515503797131 15.999 > 36 49 O 0.56400731773196 0.50196648192275 0.70194814073803 15.999 > 13 50 O 0.74492244417060 0.57629511845044 0.84114218049436 15.999 > 14 51 O 0.43048257934949 0.08093798188223 0.08515503797131 15.999 > 15 52 O 0.75507755582940 0.07629511845044 0.65885781950564 15.999 > 16 53 O 0.56951742065051 0.91906201811777 0.91484496202869 15.999 > 17 54 O 0.43599268226804 0.49803351807725 0.29805185926197 15.999 > 18 55 O 0.15554715424458 0.12664270090612 0.07631065366906 15.999 > 19 56 O 0.43599268226804 0.50196648192275 0.79805185926197 15.999 > 20 57 O 0.37301927001141 0.88385337989590 0.26961464676445 15.999 > 21 58 O 0.12698072998859 0.38385337989590 0.23038535323555 15.999 > 22 59 O 0.11227203412624 0.78302405953336 0.04113152388180 15.999 > 23 60 O 0.84445284575542 0.87335729909388 0.92368934633094 15.999 > 24 61 O 0.38772796587376 0.28302405953336 0.45886847611820 15.999 > 25 62 O 0.65554715424458 0.37335729909388 0.57631065366906 15.999 > 26 63 O 0.87301927001141 0.61614662010410 0.76961464676445 15.999 > 27 64 O 0.25507755582940 0.42370488154956 0.15885781950564 15.999 > 28 65 O 0.56400731773196 0.49803351807725 0.20194814073803 15.999 > 29 66 O 0.34445284575542 0.62664270090612 0.42368934633094 15.999 > 30 67 O 0.56951742065051 0.08093798188223 0.41484496202869 15.999 > 31 68 O 0.61227203412624 0.71697594046664 0.54113152388180 15.999 > 32 69 O 0.62698072998859 0.11614662010410 0.73038535323555 15.999 > 33 70 O 0.88772796587376 0.21697594046664 0.95886847611820 15.999 > 34 71 O 0.24492244417060 0.92370488154956 0.34114218049436 15.999 > 35 72 O 0.43048257934949 0.91906201811777 0.58515503797131 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.239562241688912 0.000000000000000 0.000000000000000 b 0.000000000000000 14.039111979999999 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): *1 Li 0.00000000000000 0.39635614285152 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.89635614285152 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.10364385714848 0.75000000000000 6.941 > 2 4 Li 0.00000000000000 0.60364385714848 0.75000000000000 6.941 > 2 5 Li 0.50000000000000 0.14635614285152 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.64635614285152 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.35364385714848 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.85364385714848 0.75000000000000 6.941 > 2 *9 Y 0.00000000000000 0.14768377784817 0.25000000000000 88.906 > 3 10 Y 0.00000000000000 0.64768377784817 0.25000000000000 88.906 > 3 11 Y 0.00000000000000 0.35231622215183 0.75000000000000 88.906 > 4 12 Y 0.00000000000000 0.85231622215183 0.75000000000000 88.906 > 4 13 Y 0.50000000000000 0.39768377784817 0.25000000000000 88.906 > 3 14 Y 0.50000000000000 0.89768377784817 0.25000000000000 88.906 > 3 15 Y 0.50000000000000 0.10231622215183 0.75000000000000 88.906 > 4 16 Y 0.50000000000000 0.60231622215183 0.75000000000000 88.906 > 4 *17 P 0.14536802230628 0.32407811578489 0.59663869232485 30.974 > 5 18 P 0.14536802230628 0.82407811578489 0.59663869232485 30.974 > 5 *19 P 0.63650501636090 0.22434885600966 0.15776069008425 30.974 > 6 20 P 0.63650501636090 0.72434885600966 0.15776069008425 30.974 > 6 21 P 0.36349498363910 0.27565114399034 0.84223930991575 30.974 > 7 22 P 0.36349498363910 0.77565114399034 0.84223930991575 30.974 > 7 23 P 0.85463197769372 0.17592188421511 0.40336130767515 30.974 > 8 24 P 0.85463197769372 0.67592188421511 0.40336130767515 30.974 > 8 25 P 0.86349498363910 0.47434885600966 0.34223930991575 30.974 > 9 26 P 0.86349498363910 0.97434885600966 0.34223930991575 30.974 > 9 27 P 0.64536802230628 0.42592188421511 0.09663869232484 30.974 > 10 28 P 0.64536802230628 0.92592188421511 0.09663869232484 30.974 > 10 29 P 0.35463197769372 0.07407811578489 0.90336130767515 30.974 > 11 30 P 0.35463197769372 0.57407811578489 0.90336130767515 30.974 > 11 31 P 0.13650501636090 0.02565114399034 0.65776069008425 30.974 > 12 32 P 0.13650501636090 0.52565114399034 0.65776069008425 30.974 > 12 33 P 0.64536802230628 0.07407811578489 0.59663869232485 30.974 > 5 34 P 0.64536802230628 0.57407811578489 0.59663869232485 30.974 > 5 35 P 0.13650501636090 0.47434885600966 0.15776069008425 30.974 > 6 36 P 0.13650501636090 0.97434885600966 0.15776069008425 30.974 > 6 37 P 0.86349498363910 0.02565114399034 0.84223930991575 30.974 > 7 38 P 0.86349498363910 0.52565114399034 0.84223930991575 30.974 > 7 39 P 0.35463197769372 0.42592188421511 0.40336130767515 30.974 > 8 40 P 0.35463197769372 0.92592188421511 0.40336130767515 30.974 > 8 41 P 0.36349498363910 0.22434885600966 0.34223930991575 30.974 > 9 42 P 0.36349498363910 0.72434885600966 0.34223930991575 30.974 > 9 43 P 0.14536802230628 0.17592188421511 0.09663869232484 30.974 > 10 44 P 0.14536802230628 0.67592188421511 0.09663869232484 30.974 > 10 45 P 0.85463197769372 0.32407811578489 0.90336130767515 30.974 > 11 46 P 0.85463197769372 0.82407811578489 0.90336130767515 30.974 > 11 47 P 0.63650501636090 0.27565114399034 0.65776069008425 30.974 > 12 48 P 0.63650501636090 0.77565114399034 0.65776069008425 30.974 > 12 *49 O 0.06400731773196 0.00098324096137 0.70194814073803 15.999 > 13 50 O 0.06400731773196 0.50098324096137 0.70194814073803 15.999 > 13 *51 O 0.24492244417060 0.03814755922522 0.84114218049436 15.999 > 14 52 O 0.24492244417060 0.53814755922522 0.84114218049436 15.999 > 14 *53 O 0.93048257934949 0.29046899094112 0.08515503797131 15.999 > 15 54 O 0.93048257934949 0.79046899094112 0.08515503797131 15.999 > 15 55 O 0.25507755582940 0.28814755922522 0.65885781950564 15.999 > 16 56 O 0.25507755582940 0.78814755922522 0.65885781950564 15.999 > 16 57 O 0.06951742065051 0.20953100905888 0.91484496202869 15.999 > 17 58 O 0.06951742065051 0.70953100905888 0.91484496202869 15.999 > 17 59 O 0.93599268226804 0.49901675903863 0.29805185926197 15.999 > 18 60 O 0.93599268226804 0.99901675903863 0.29805185926197 15.999 > 18 *61 O 0.65554715424458 0.31332135045306 0.07631065366906 15.999 > 19 62 O 0.65554715424458 0.81332135045306 0.07631065366906 15.999 > 19 63 O 0.93599268226804 0.00098324096137 0.79805185926197 15.999 > 20 64 O 0.93599268226804 0.50098324096137 0.79805185926197 15.999 > 20 *65 O 0.87301927001141 0.19192668994795 0.26961464676445 15.999 > 21 66 O 0.87301927001141 0.69192668994795 0.26961464676445 15.999 > 21 67 O 0.62698072998859 0.44192668994795 0.23038535323555 15.999 > 22 68 O 0.62698072998859 0.94192668994795 0.23038535323555 15.999 > 22 *69 O 0.61227203412624 0.14151202976668 0.04113152388180 15.999 > 23 70 O 0.61227203412624 0.64151202976668 0.04113152388180 15.999 > 23 71 O 0.34445284575542 0.18667864954694 0.92368934633094 15.999 > 24 72 O 0.34445284575542 0.68667864954694 0.92368934633094 15.999 > 24 73 O 0.88772796587376 0.39151202976668 0.45886847611820 15.999 > 25 74 O 0.88772796587376 0.89151202976668 0.45886847611820 15.999 > 25 75 O 0.15554715424458 0.43667864954694 0.57631065366906 15.999 > 26 76 O 0.15554715424458 0.93667864954694 0.57631065366906 15.999 > 26 77 O 0.37301927001141 0.05807331005205 0.76961464676445 15.999 > 27 78 O 0.37301927001141 0.55807331005205 0.76961464676445 15.999 > 27 79 O 0.75507755582940 0.46185244077478 0.15885781950564 15.999 > 28 80 O 0.75507755582940 0.96185244077478 0.15885781950564 15.999 > 28 81 O 0.06400731773196 0.49901675903863 0.20194814073803 15.999 > 29 82 O 0.06400731773196 0.99901675903863 0.20194814073803 15.999 > 29 83 O 0.84445284575542 0.06332135045306 0.42368934633094 15.999 > 30 84 O 0.84445284575542 0.56332135045306 0.42368934633094 15.999 > 30 85 O 0.06951742065051 0.29046899094112 0.41484496202869 15.999 > 31 86 O 0.06951742065051 0.79046899094112 0.41484496202869 15.999 > 31 87 O 0.11227203412624 0.10848797023332 0.54113152388180 15.999 > 32 88 O 0.11227203412624 0.60848797023332 0.54113152388180 15.999 > 32 89 O 0.12698072998859 0.30807331005205 0.73038535323555 15.999 > 33 90 O 0.12698072998859 0.80807331005205 0.73038535323555 15.999 > 33 91 O 0.38772796587376 0.35848797023332 0.95886847611820 15.999 > 34 92 O 0.38772796587376 0.85848797023332 0.95886847611820 15.999 > 34 93 O 0.74492244417060 0.21185244077478 0.34114218049436 15.999 > 35 94 O 0.74492244417060 0.71185244077478 0.34114218049436 15.999 > 35 95 O 0.93048257934949 0.20953100905888 0.58515503797131 15.999 > 36 96 O 0.93048257934949 0.70953100905888 0.58515503797131 15.999 > 36 97 O 0.56400731773196 0.25098324096137 0.70194814073803 15.999 > 13 98 O 0.56400731773196 0.75098324096137 0.70194814073803 15.999 > 13 99 O 0.74492244417060 0.28814755922522 0.84114218049436 15.999 > 14 100 O 0.74492244417060 0.78814755922522 0.84114218049436 15.999 > 14 101 O 0.43048257934949 0.04046899094112 0.08515503797131 15.999 > 15 102 O 0.43048257934949 0.54046899094112 0.08515503797131 15.999 > 15 103 O 0.75507755582940 0.03814755922522 0.65885781950564 15.999 > 16 104 O 0.75507755582940 0.53814755922522 0.65885781950564 15.999 > 16 105 O 0.56951742065051 0.45953100905888 0.91484496202869 15.999 > 17 106 O 0.56951742065051 0.95953100905888 0.91484496202869 15.999 > 17 107 O 0.43599268226804 0.24901675903863 0.29805185926197 15.999 > 18 108 O 0.43599268226804 0.74901675903863 0.29805185926197 15.999 > 18 109 O 0.15554715424458 0.06332135045306 0.07631065366906 15.999 > 19 110 O 0.15554715424458 0.56332135045306 0.07631065366906 15.999 > 19 111 O 0.43599268226804 0.25098324096137 0.79805185926197 15.999 > 20 112 O 0.43599268226804 0.75098324096137 0.79805185926197 15.999 > 20 113 O 0.37301927001141 0.44192668994795 0.26961464676445 15.999 > 21 114 O 0.37301927001141 0.94192668994795 0.26961464676445 15.999 > 21 115 O 0.12698072998859 0.19192668994795 0.23038535323555 15.999 > 22 116 O 0.12698072998859 0.69192668994795 0.23038535323555 15.999 > 22 117 O 0.11227203412624 0.39151202976668 0.04113152388180 15.999 > 23 118 O 0.11227203412624 0.89151202976668 0.04113152388180 15.999 > 23 119 O 0.84445284575542 0.43667864954694 0.92368934633094 15.999 > 24 120 O 0.84445284575542 0.93667864954694 0.92368934633094 15.999 > 24 121 O 0.38772796587376 0.14151202976668 0.45886847611820 15.999 > 25 122 O 0.38772796587376 0.64151202976668 0.45886847611820 15.999 > 25 123 O 0.65554715424458 0.18667864954694 0.57631065366906 15.999 > 26 124 O 0.65554715424458 0.68667864954694 0.57631065366906 15.999 > 26 125 O 0.87301927001141 0.30807331005205 0.76961464676445 15.999 > 27 126 O 0.87301927001141 0.80807331005205 0.76961464676445 15.999 > 27 127 O 0.25507755582940 0.21185244077478 0.15885781950564 15.999 > 28 128 O 0.25507755582940 0.71185244077478 0.15885781950564 15.999 > 28 129 O 0.56400731773196 0.24901675903863 0.20194814073803 15.999 > 29 130 O 0.56400731773196 0.74901675903863 0.20194814073803 15.999 > 29 131 O 0.34445284575542 0.31332135045306 0.42368934633094 15.999 > 30 132 O 0.34445284575542 0.81332135045306 0.42368934633094 15.999 > 30 133 O 0.56951742065051 0.04046899094112 0.41484496202869 15.999 > 31 134 O 0.56951742065051 0.54046899094112 0.41484496202869 15.999 > 31 135 O 0.61227203412624 0.35848797023332 0.54113152388180 15.999 > 32 136 O 0.61227203412624 0.85848797023332 0.54113152388180 15.999 > 32 137 O 0.62698072998859 0.05807331005205 0.73038535323555 15.999 > 33 138 O 0.62698072998859 0.55807331005205 0.73038535323555 15.999 > 33 139 O 0.88772796587376 0.10848797023332 0.95886847611820 15.999 > 34 140 O 0.88772796587376 0.60848797023332 0.95886847611820 15.999 > 34 141 O 0.24492244417060 0.46185244077478 0.34114218049436 15.999 > 35 142 O 0.24492244417060 0.96185244077478 0.34114218049436 15.999 > 35 143 O 0.43048257934949 0.45953100905888 0.58515503797131 15.999 > 36 144 O 0.43048257934949 0.95953100905888 0.58515503797131 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7626962 0.0000000 0.0398069 0.0000000 2.7628684 0.0000000 0.0398067 0.0000000 2.7561230 -------------------------- Born effective charges -------------------------- 1 Li 1.0105145 0.0000000 -0.0805589 0.0000000 1.0903147 -0.0000000 -0.0551187 0.0000000 1.2162067 2 Li 1.0105145 0.0000000 -0.0805589 0.0000000 1.0903147 -0.0000000 -0.0551187 0.0000000 1.2162067 3 Y 4.1586107 0.0000000 -0.3114557 0.0000000 3.8540776 -0.0000000 -0.5133820 0.0000000 4.1987097 4 Y 4.1586107 0.0000000 -0.3114557 0.0000000 3.8540776 -0.0000000 -0.5133820 0.0000000 4.1987097 5 P 3.6288146 -0.2860129 -0.0750657 -0.2060402 3.8022883 0.2675654 0.7342932 -0.0079449 3.3883264 6 P 3.5670657 -0.1898445 0.8466942 0.0197462 3.6596922 -0.4323490 0.1906504 0.3615033 3.4293410 7 P 3.5670657 -0.1898445 0.8466942 0.0197462 3.6596922 -0.4323490 0.1906504 0.3615033 3.4293410 8 P 3.6288146 -0.2860129 -0.0750657 -0.2060402 3.8022883 0.2675654 0.7342932 -0.0079449 3.3883264 9 P 3.5670657 0.1898445 0.8466942 -0.0197462 3.6596922 0.4323490 0.1906504 -0.3615033 3.4293410 10 P 3.6288146 0.2860129 -0.0750657 0.2060402 3.8022883 -0.2675654 0.7342932 0.0079449 3.3883264 11 P 3.6288146 0.2860129 -0.0750657 0.2060402 3.8022883 -0.2675654 0.7342932 0.0079449 3.3883264 12 P 3.5670657 0.1898445 0.8466942 -0.0197462 3.6596922 0.4323490 0.1906504 -0.3615033 3.4293410 13 O -2.1060606 -0.3939509 0.1972513 -0.2736110 -1.4009660 0.0465670 0.2053903 0.1260101 -1.1215413 14 O -2.2926361 -0.4365234 -1.1403286 -0.6116466 -1.0912757 -0.4681877 -1.1424437 -0.2468604 -1.9257160 15 O -0.9961537 0.0309309 -0.1016624 0.0469613 -1.6875141 0.6116402 -0.1771576 0.4868693 -2.1396954 16 O -2.2926361 0.4365234 -1.1403286 0.6116466 -1.0912757 0.4681877 -1.1424437 0.2468604 -1.9257160 17 O -0.9961537 0.0309309 -0.1016624 0.0469613 -1.6875141 0.6116402 -0.1771576 0.4868693 -2.1396954 18 O -2.1060606 -0.3939509 0.1972513 -0.2736110 -1.4009660 0.0465670 0.2053903 0.1260101 -1.1215413 19 O -1.0710197 -0.2213170 0.0690541 -0.3146598 -2.9819644 0.3533635 0.0790778 0.1961767 -1.0454434 20 O -2.1060606 0.3939509 0.1972513 0.2736110 -1.4009660 -0.0465670 0.2053903 -0.1260101 -1.1215413 21 O -2.2710363 0.1436917 0.5501985 0.1331145 -1.1131569 -0.0073101 0.3848609 0.0045168 -1.2579337 22 O -2.2710363 -0.1436917 0.5501985 -0.1331145 -1.1131569 0.0073101 0.3848609 -0.0045168 -1.2579337 23 O -1.0435364 0.0806703 -0.1501341 0.1500818 -1.6592995 -0.6255713 0.0095789 -0.6858266 -2.0347959 24 O -1.0710197 -0.2213170 0.0690541 -0.3146598 -2.9819644 0.3533635 0.0790778 0.1961767 -1.0454434 25 O -1.0435364 -0.0806703 -0.1501341 -0.1500818 -1.6592995 0.6255713 0.0095789 0.6858266 -2.0347959 26 O -1.0710197 0.2213170 0.0690541 0.3146598 -2.9819644 -0.3533635 0.0790778 -0.1961767 -1.0454434 27 O -2.2710363 -0.1436917 0.5501985 -0.1331145 -1.1131569 0.0073101 0.3848609 -0.0045168 -1.2579337 28 O -2.2926361 -0.4365234 -1.1403286 -0.6116466 -1.0912757 -0.4681877 -1.1424437 -0.2468604 -1.9257160 29 O -2.1060606 0.3939509 0.1972513 0.2736110 -1.4009660 -0.0465670 0.2053903 -0.1260101 -1.1215413 30 O -1.0710197 0.2213170 0.0690541 0.3146598 -2.9819644 -0.3533635 0.0790778 -0.1961767 -1.0454434 31 O -0.9961537 -0.0309309 -0.1016624 -0.0469613 -1.6875141 -0.6116402 -0.1771576 -0.4868693 -2.1396954 32 O -1.0435364 -0.0806703 -0.1501341 -0.1500818 -1.6592995 0.6255713 0.0095789 0.6858266 -2.0347959 33 O -2.2710363 0.1436917 0.5501985 0.1331145 -1.1131569 -0.0073101 0.3848609 0.0045168 -1.2579337 34 O -1.0435364 0.0806703 -0.1501341 0.1500818 -1.6592995 -0.6255713 0.0095789 -0.6858266 -2.0347959 35 O -2.2926361 0.4365234 -1.1403286 0.6116466 -1.0912757 0.4681877 -1.1424437 0.2468604 -1.9257160 36 O -0.9961537 -0.0309309 -0.1016624 -0.0469613 -1.6875141 -0.6116402 -0.1771576 -0.4868693 -2.1396954 ---------------------------------------------------------------------------- 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: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (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: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.002 Solver_block: 200 / 1120 - Time: 1.798 Solver_block: 300 / 1120 - Time: 1.796 Solver_block: 400 / 1120 - Time: 1.800 Solver_block: 500 / 1120 - Time: 1.792 Solver_block: 600 / 1120 - Time: 1.798 Solver_block: 700 / 1120 - Time: 1.796 Solver_block: 800 / 1120 - Time: 1.800 Solver_block: 900 / 1120 - Time: 1.799 Solver_block: 1000 / 1120 - Time: 1.800 Solver_block: 1100 / 1120 - Time: 1.798 Solver_block: 1120 / 1120 - Time: 0.595 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.077 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (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: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:07:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:07:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.119781120844456 -3.509777995000000 0.000000000000000 b 8.119781120844456 3.509777995000000 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): 1 Li 0.20728771429695 0.79271228570305 0.25000000000000 6.941 2 Li 0.79271228570305 0.20728771429695 0.75000000000000 6.941 3 Y 0.70463244430365 0.29536755569635 0.25000000000000 88.906 4 Y 0.29536755569635 0.70463244430365 0.75000000000000 88.906 5 P 0.49721179073650 0.79352425387606 0.59663869232485 30.974 6 P 0.18780730434158 0.08520272838021 0.15776069008425 30.974 7 P 0.81219269565842 0.91479727161979 0.84223930991575 30.974 8 P 0.50278820926350 0.20647574612394 0.40336130767515 30.974 9 P 0.91479727161979 0.81219269565842 0.34223930991575 30.974 10 P 0.79352425387606 0.49721179073650 0.09663869232484 30.974 11 P 0.20647574612394 0.50278820926350 0.90336130767515 30.974 12 P 0.08520272838021 0.18780730434158 0.65776069008425 30.974 13 O 0.06204083580921 0.06597379965471 0.70194814073803 15.999 14 O 0.16862732572016 0.32121756262104 0.84114218049436 15.999 15 O 0.34954459746726 0.51142056123173 0.08515503797131 15.999 16 O 0.67878243737896 0.83137267427984 0.65885781950564 15.999 17 O 0.65045540253274 0.48857943876827 0.91484496202869 15.999 18 O 0.93795916419079 0.93402620034529 0.29805185926197 15.999 19 O 0.02890445333846 0.28218985515070 0.07631065366906 15.999 20 O 0.93402620034529 0.93795916419079 0.79805185926197 15.999 21 O 0.48916589011550 0.25687264990731 0.26961464676445 15.999 22 O 0.74312735009270 0.51083410988449 0.23038535323555 15.999 23 O 0.32924797459288 0.89529609365959 0.04113152388180 15.999 24 O 0.97109554666154 0.71781014484930 0.92368934633094 15.999 25 O 0.10470390634041 0.67075202540712 0.45886847611820 15.999 26 O 0.28218985515070 0.02890445333846 0.57631065366906 15.999 27 O 0.25687264990731 0.48916589011550 0.76961464676445 15.999 28 O 0.83137267427983 0.67878243737896 0.15885781950564 15.999 29 O 0.06597379965471 0.06204083580921 0.20194814073803 15.999 30 O 0.71781014484930 0.97109554666154 0.42368934633094 15.999 31 O 0.48857943876827 0.65045540253274 0.41484496202869 15.999 32 O 0.89529609365959 0.32924797459288 0.54113152388180 15.999 33 O 0.51083410988449 0.74312735009270 0.73038535323555 15.999 34 O 0.67075202540712 0.10470390634041 0.95886847611820 15.999 35 O 0.32121756262104 0.16862732572016 0.34114218049436 15.999 36 O 0.51142056123173 0.34954459746726 0.58515503797131 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.239562241688912 0.000000000000000 0.000000000000000 b 0.000000000000000 14.039111979999999 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): 1 Li 0.00000000000000 0.39635614285152 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.89635614285152 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.10364385714848 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.60364385714848 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.14635614285152 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.64635614285152 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.35364385714848 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.85364385714848 0.75000000000000 6.941 > 3 9 Y 0.00000000000000 0.14768377784817 0.25000000000000 88.906 > 9 10 Y 0.00000000000000 0.64768377784817 0.25000000000000 88.906 > 9 11 Y 0.00000000000000 0.35231622215183 0.75000000000000 88.906 > 11 12 Y 0.00000000000000 0.85231622215183 0.75000000000000 88.906 > 11 13 Y 0.50000000000000 0.39768377784817 0.25000000000000 88.906 > 9 14 Y 0.50000000000000 0.89768377784817 0.25000000000000 88.906 > 9 15 Y 0.50000000000000 0.10231622215183 0.75000000000000 88.906 > 11 16 Y 0.50000000000000 0.60231622215183 0.75000000000000 88.906 > 11 17 P 0.14536802230628 0.32407811578489 0.59663869232485 30.974 > 17 18 P 0.14536802230628 0.82407811578489 0.59663869232485 30.974 > 17 19 P 0.63650501636090 0.22434885600966 0.15776069008425 30.974 > 19 20 P 0.63650501636090 0.72434885600966 0.15776069008425 30.974 > 19 21 P 0.36349498363910 0.27565114399034 0.84223930991575 30.974 > 21 22 P 0.36349498363910 0.77565114399034 0.84223930991575 30.974 > 21 23 P 0.85463197769372 0.17592188421511 0.40336130767515 30.974 > 23 24 P 0.85463197769372 0.67592188421511 0.40336130767515 30.974 > 23 25 P 0.86349498363910 0.47434885600966 0.34223930991575 30.974 > 25 26 P 0.86349498363910 0.97434885600966 0.34223930991575 30.974 > 25 27 P 0.64536802230628 0.42592188421511 0.09663869232484 30.974 > 27 28 P 0.64536802230628 0.92592188421511 0.09663869232484 30.974 > 27 29 P 0.35463197769372 0.07407811578489 0.90336130767515 30.974 > 29 30 P 0.35463197769372 0.57407811578489 0.90336130767515 30.974 > 29 31 P 0.13650501636090 0.02565114399034 0.65776069008425 30.974 > 31 32 P 0.13650501636090 0.52565114399034 0.65776069008425 30.974 > 31 33 P 0.64536802230628 0.07407811578489 0.59663869232485 30.974 > 17 34 P 0.64536802230628 0.57407811578489 0.59663869232485 30.974 > 17 35 P 0.13650501636090 0.47434885600966 0.15776069008425 30.974 > 19 36 P 0.13650501636090 0.97434885600966 0.15776069008425 30.974 > 19 37 P 0.86349498363910 0.02565114399034 0.84223930991575 30.974 > 21 38 P 0.86349498363910 0.52565114399034 0.84223930991575 30.974 > 21 39 P 0.35463197769372 0.42592188421511 0.40336130767515 30.974 > 23 40 P 0.35463197769372 0.92592188421511 0.40336130767515 30.974 > 23 41 P 0.36349498363910 0.22434885600966 0.34223930991575 30.974 > 25 42 P 0.36349498363910 0.72434885600966 0.34223930991575 30.974 > 25 43 P 0.14536802230628 0.17592188421511 0.09663869232484 30.974 > 27 44 P 0.14536802230628 0.67592188421511 0.09663869232484 30.974 > 27 45 P 0.85463197769372 0.32407811578489 0.90336130767515 30.974 > 29 46 P 0.85463197769372 0.82407811578489 0.90336130767515 30.974 > 29 47 P 0.63650501636090 0.27565114399034 0.65776069008425 30.974 > 31 48 P 0.63650501636090 0.77565114399034 0.65776069008425 30.974 > 31 49 O 0.06400731773196 0.00098324096137 0.70194814073803 15.999 > 49 50 O 0.06400731773196 0.50098324096137 0.70194814073803 15.999 > 49 51 O 0.24492244417060 0.03814755922522 0.84114218049436 15.999 > 51 52 O 0.24492244417060 0.53814755922522 0.84114218049436 15.999 > 51 53 O 0.93048257934949 0.29046899094112 0.08515503797131 15.999 > 53 54 O 0.93048257934949 0.79046899094112 0.08515503797131 15.999 > 53 55 O 0.25507755582940 0.28814755922522 0.65885781950564 15.999 > 55 56 O 0.25507755582940 0.78814755922522 0.65885781950564 15.999 > 55 57 O 0.06951742065051 0.20953100905888 0.91484496202869 15.999 > 57 58 O 0.06951742065051 0.70953100905888 0.91484496202869 15.999 > 57 59 O 0.93599268226804 0.49901675903863 0.29805185926197 15.999 > 59 60 O 0.93599268226804 0.99901675903863 0.29805185926197 15.999 > 59 61 O 0.65554715424458 0.31332135045306 0.07631065366906 15.999 > 61 62 O 0.65554715424458 0.81332135045306 0.07631065366906 15.999 > 61 63 O 0.93599268226804 0.00098324096137 0.79805185926197 15.999 > 63 64 O 0.93599268226804 0.50098324096137 0.79805185926197 15.999 > 63 65 O 0.87301927001141 0.19192668994795 0.26961464676445 15.999 > 65 66 O 0.87301927001141 0.69192668994795 0.26961464676445 15.999 > 65 67 O 0.62698072998859 0.44192668994795 0.23038535323555 15.999 > 67 68 O 0.62698072998859 0.94192668994795 0.23038535323555 15.999 > 67 69 O 0.61227203412624 0.14151202976668 0.04113152388180 15.999 > 69 70 O 0.61227203412624 0.64151202976668 0.04113152388180 15.999 > 69 71 O 0.34445284575542 0.18667864954694 0.92368934633094 15.999 > 71 72 O 0.34445284575542 0.68667864954694 0.92368934633094 15.999 > 71 73 O 0.88772796587376 0.39151202976668 0.45886847611820 15.999 > 73 74 O 0.88772796587376 0.89151202976668 0.45886847611820 15.999 > 73 75 O 0.15554715424458 0.43667864954694 0.57631065366906 15.999 > 75 76 O 0.15554715424458 0.93667864954694 0.57631065366906 15.999 > 75 77 O 0.37301927001141 0.05807331005205 0.76961464676445 15.999 > 77 78 O 0.37301927001141 0.55807331005205 0.76961464676445 15.999 > 77 79 O 0.75507755582940 0.46185244077478 0.15885781950564 15.999 > 79 80 O 0.75507755582940 0.96185244077478 0.15885781950564 15.999 > 79 81 O 0.06400731773196 0.49901675903863 0.20194814073803 15.999 > 81 82 O 0.06400731773196 0.99901675903863 0.20194814073803 15.999 > 81 83 O 0.84445284575542 0.06332135045306 0.42368934633094 15.999 > 83 84 O 0.84445284575542 0.56332135045306 0.42368934633094 15.999 > 83 85 O 0.06951742065051 0.29046899094112 0.41484496202869 15.999 > 85 86 O 0.06951742065051 0.79046899094112 0.41484496202869 15.999 > 85 87 O 0.11227203412624 0.10848797023332 0.54113152388180 15.999 > 87 88 O 0.11227203412624 0.60848797023332 0.54113152388180 15.999 > 87 89 O 0.12698072998859 0.30807331005205 0.73038535323555 15.999 > 89 90 O 0.12698072998859 0.80807331005205 0.73038535323555 15.999 > 89 91 O 0.38772796587376 0.35848797023332 0.95886847611820 15.999 > 91 92 O 0.38772796587376 0.85848797023332 0.95886847611820 15.999 > 91 93 O 0.74492244417060 0.21185244077478 0.34114218049436 15.999 > 93 94 O 0.74492244417060 0.71185244077478 0.34114218049436 15.999 > 93 95 O 0.93048257934949 0.20953100905888 0.58515503797131 15.999 > 95 96 O 0.93048257934949 0.70953100905888 0.58515503797131 15.999 > 95 97 O 0.56400731773196 0.25098324096137 0.70194814073803 15.999 > 49 98 O 0.56400731773196 0.75098324096137 0.70194814073803 15.999 > 49 99 O 0.74492244417060 0.28814755922522 0.84114218049436 15.999 > 51 100 O 0.74492244417060 0.78814755922522 0.84114218049436 15.999 > 51 101 O 0.43048257934949 0.04046899094112 0.08515503797131 15.999 > 53 102 O 0.43048257934949 0.54046899094112 0.08515503797131 15.999 > 53 103 O 0.75507755582940 0.03814755922522 0.65885781950564 15.999 > 55 104 O 0.75507755582940 0.53814755922522 0.65885781950564 15.999 > 55 105 O 0.56951742065051 0.45953100905888 0.91484496202869 15.999 > 57 106 O 0.56951742065051 0.95953100905888 0.91484496202869 15.999 > 57 107 O 0.43599268226804 0.24901675903863 0.29805185926197 15.999 > 59 108 O 0.43599268226804 0.74901675903863 0.29805185926197 15.999 > 59 109 O 0.15554715424458 0.06332135045306 0.07631065366906 15.999 > 61 110 O 0.15554715424458 0.56332135045306 0.07631065366906 15.999 > 61 111 O 0.43599268226804 0.25098324096137 0.79805185926197 15.999 > 63 112 O 0.43599268226804 0.75098324096137 0.79805185926197 15.999 > 63 113 O 0.37301927001141 0.44192668994795 0.26961464676445 15.999 > 65 114 O 0.37301927001141 0.94192668994795 0.26961464676445 15.999 > 65 115 O 0.12698072998859 0.19192668994795 0.23038535323555 15.999 > 67 116 O 0.12698072998859 0.69192668994795 0.23038535323555 15.999 > 67 117 O 0.11227203412624 0.39151202976668 0.04113152388180 15.999 > 69 118 O 0.11227203412624 0.89151202976668 0.04113152388180 15.999 > 69 119 O 0.84445284575542 0.43667864954694 0.92368934633094 15.999 > 71 120 O 0.84445284575542 0.93667864954694 0.92368934633094 15.999 > 71 121 O 0.38772796587376 0.14151202976668 0.45886847611820 15.999 > 73 122 O 0.38772796587376 0.64151202976668 0.45886847611820 15.999 > 73 123 O 0.65554715424458 0.18667864954694 0.57631065366906 15.999 > 75 124 O 0.65554715424458 0.68667864954694 0.57631065366906 15.999 > 75 125 O 0.87301927001141 0.30807331005205 0.76961464676445 15.999 > 77 126 O 0.87301927001141 0.80807331005205 0.76961464676445 15.999 > 77 127 O 0.25507755582940 0.21185244077478 0.15885781950564 15.999 > 79 128 O 0.25507755582940 0.71185244077478 0.15885781950564 15.999 > 79 129 O 0.56400731773196 0.24901675903863 0.20194814073803 15.999 > 81 130 O 0.56400731773196 0.74901675903863 0.20194814073803 15.999 > 81 131 O 0.34445284575542 0.31332135045306 0.42368934633094 15.999 > 83 132 O 0.34445284575542 0.81332135045306 0.42368934633094 15.999 > 83 133 O 0.56951742065051 0.04046899094112 0.41484496202869 15.999 > 85 134 O 0.56951742065051 0.54046899094112 0.41484496202869 15.999 > 85 135 O 0.61227203412624 0.35848797023332 0.54113152388180 15.999 > 87 136 O 0.61227203412624 0.85848797023332 0.54113152388180 15.999 > 87 137 O 0.62698072998859 0.05807331005205 0.73038535323555 15.999 > 89 138 O 0.62698072998859 0.55807331005205 0.73038535323555 15.999 > 89 139 O 0.88772796587376 0.10848797023332 0.95886847611820 15.999 > 91 140 O 0.88772796587376 0.60848797023332 0.95886847611820 15.999 > 91 141 O 0.24492244417060 0.46185244077478 0.34114218049436 15.999 > 93 142 O 0.24492244417060 0.96185244077478 0.34114218049436 15.999 > 93 143 O 0.43048257934949 0.45953100905888 0.58515503797131 15.999 > 95 144 O 0.43048257934949 0.95953100905888 0.58515503797131 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7626962 0.0000000 0.0398069 0.0000000 2.7628684 0.0000000 0.0398067 0.0000000 2.7561230 -------------------------- Born effective charges -------------------------- 1 Li 1.0105145 0.0000000 -0.0805589 0.0000000 1.0903147 -0.0000000 -0.0551187 0.0000000 1.2162067 2 Li 1.0105145 0.0000000 -0.0805589 0.0000000 1.0903147 -0.0000000 -0.0551187 0.0000000 1.2162067 3 Y 4.1586107 0.0000000 -0.3114557 0.0000000 3.8540776 -0.0000000 -0.5133820 0.0000000 4.1987097 4 Y 4.1586107 0.0000000 -0.3114557 0.0000000 3.8540776 -0.0000000 -0.5133820 0.0000000 4.1987097 5 P 3.6288146 -0.2860129 -0.0750657 -0.2060402 3.8022883 0.2675654 0.7342932 -0.0079449 3.3883264 6 P 3.5670657 -0.1898445 0.8466942 0.0197462 3.6596922 -0.4323490 0.1906504 0.3615033 3.4293410 7 P 3.5670657 -0.1898445 0.8466942 0.0197462 3.6596922 -0.4323490 0.1906504 0.3615033 3.4293410 8 P 3.6288146 -0.2860129 -0.0750657 -0.2060402 3.8022883 0.2675654 0.7342932 -0.0079449 3.3883264 9 P 3.5670657 0.1898445 0.8466942 -0.0197462 3.6596922 0.4323490 0.1906504 -0.3615033 3.4293410 10 P 3.6288146 0.2860129 -0.0750657 0.2060402 3.8022883 -0.2675654 0.7342932 0.0079449 3.3883264 11 P 3.6288146 0.2860129 -0.0750657 0.2060402 3.8022883 -0.2675654 0.7342932 0.0079449 3.3883264 12 P 3.5670657 0.1898445 0.8466942 -0.0197462 3.6596922 0.4323490 0.1906504 -0.3615033 3.4293410 13 O -2.1060606 -0.3939509 0.1972513 -0.2736110 -1.4009660 0.0465670 0.2053903 0.1260101 -1.1215413 14 O -2.2926361 -0.4365234 -1.1403286 -0.6116466 -1.0912757 -0.4681877 -1.1424437 -0.2468604 -1.9257160 15 O -0.9961537 0.0309309 -0.1016624 0.0469613 -1.6875141 0.6116402 -0.1771576 0.4868693 -2.1396954 16 O -2.2926361 0.4365234 -1.1403286 0.6116466 -1.0912757 0.4681877 -1.1424437 0.2468604 -1.9257160 17 O -0.9961537 0.0309309 -0.1016624 0.0469613 -1.6875141 0.6116402 -0.1771576 0.4868693 -2.1396954 18 O -2.1060606 -0.3939509 0.1972513 -0.2736110 -1.4009660 0.0465670 0.2053903 0.1260101 -1.1215413 19 O -1.0710197 -0.2213170 0.0690541 -0.3146598 -2.9819644 0.3533635 0.0790778 0.1961767 -1.0454434 20 O -2.1060606 0.3939509 0.1972513 0.2736110 -1.4009660 -0.0465670 0.2053903 -0.1260101 -1.1215413 21 O -2.2710363 0.1436917 0.5501985 0.1331145 -1.1131569 -0.0073101 0.3848609 0.0045168 -1.2579337 22 O -2.2710363 -0.1436917 0.5501985 -0.1331145 -1.1131569 0.0073101 0.3848609 -0.0045168 -1.2579337 23 O -1.0435364 0.0806703 -0.1501341 0.1500818 -1.6592995 -0.6255713 0.0095789 -0.6858266 -2.0347959 24 O -1.0710197 -0.2213170 0.0690541 -0.3146598 -2.9819644 0.3533635 0.0790778 0.1961767 -1.0454434 25 O -1.0435364 -0.0806703 -0.1501341 -0.1500818 -1.6592995 0.6255713 0.0095789 0.6858266 -2.0347959 26 O -1.0710197 0.2213170 0.0690541 0.3146598 -2.9819644 -0.3533635 0.0790778 -0.1961767 -1.0454434 27 O -2.2710363 -0.1436917 0.5501985 -0.1331145 -1.1131569 0.0073101 0.3848609 -0.0045168 -1.2579337 28 O -2.2926361 -0.4365234 -1.1403286 -0.6116466 -1.0912757 -0.4681877 -1.1424437 -0.2468604 -1.9257160 29 O -2.1060606 0.3939509 0.1972513 0.2736110 -1.4009660 -0.0465670 0.2053903 -0.1260101 -1.1215413 30 O -1.0710197 0.2213170 0.0690541 0.3146598 -2.9819644 -0.3533635 0.0790778 -0.1961767 -1.0454434 31 O -0.9961537 -0.0309309 -0.1016624 -0.0469613 -1.6875141 -0.6116402 -0.1771576 -0.4868693 -2.1396954 32 O -1.0435364 -0.0806703 -0.1501341 -0.1500818 -1.6592995 0.6255713 0.0095789 0.6858266 -2.0347959 33 O -2.2710363 0.1436917 0.5501985 0.1331145 -1.1131569 -0.0073101 0.3848609 0.0045168 -1.2579337 34 O -1.0435364 0.0806703 -0.1501341 0.1500818 -1.6592995 -0.6255713 0.0095789 -0.6858266 -2.0347959 35 O -2.2926361 0.4365234 -1.1403286 0.6116466 -1.0912757 0.4681877 -1.1424437 0.2468604 -1.9257160 36 O -0.9961537 -0.0309309 -0.1016624 -0.0469613 -1.6875141 -0.6116402 -0.1771576 -0.4868693 -2.1396954 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 19, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 69, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 13:08:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:08:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.119781120844456 -3.509777995000000 0.000000000000000 b 8.119781120844456 3.509777995000000 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): 1 Li 0.20728771429695 0.79271228570305 0.25000000000000 6.941 2 Li 0.79271228570305 0.20728771429695 0.75000000000000 6.941 3 Y 0.70463244430365 0.29536755569635 0.25000000000000 88.906 4 Y 0.29536755569635 0.70463244430365 0.75000000000000 88.906 5 P 0.49721179073650 0.79352425387606 0.59663869232485 30.974 6 P 0.18780730434158 0.08520272838021 0.15776069008425 30.974 7 P 0.81219269565842 0.91479727161979 0.84223930991575 30.974 8 P 0.50278820926350 0.20647574612394 0.40336130767515 30.974 9 P 0.91479727161979 0.81219269565842 0.34223930991575 30.974 10 P 0.79352425387606 0.49721179073650 0.09663869232484 30.974 11 P 0.20647574612394 0.50278820926350 0.90336130767515 30.974 12 P 0.08520272838021 0.18780730434158 0.65776069008425 30.974 13 O 0.06204083580921 0.06597379965471 0.70194814073803 15.999 14 O 0.16862732572016 0.32121756262104 0.84114218049436 15.999 15 O 0.34954459746726 0.51142056123173 0.08515503797131 15.999 16 O 0.67878243737896 0.83137267427984 0.65885781950564 15.999 17 O 0.65045540253274 0.48857943876827 0.91484496202869 15.999 18 O 0.93795916419079 0.93402620034529 0.29805185926197 15.999 19 O 0.02890445333846 0.28218985515070 0.07631065366906 15.999 20 O 0.93402620034529 0.93795916419079 0.79805185926197 15.999 21 O 0.48916589011550 0.25687264990731 0.26961464676445 15.999 22 O 0.74312735009270 0.51083410988449 0.23038535323555 15.999 23 O 0.32924797459288 0.89529609365959 0.04113152388180 15.999 24 O 0.97109554666154 0.71781014484930 0.92368934633094 15.999 25 O 0.10470390634041 0.67075202540712 0.45886847611820 15.999 26 O 0.28218985515070 0.02890445333846 0.57631065366906 15.999 27 O 0.25687264990731 0.48916589011550 0.76961464676445 15.999 28 O 0.83137267427983 0.67878243737896 0.15885781950564 15.999 29 O 0.06597379965471 0.06204083580921 0.20194814073803 15.999 30 O 0.71781014484930 0.97109554666154 0.42368934633094 15.999 31 O 0.48857943876827 0.65045540253274 0.41484496202869 15.999 32 O 0.89529609365959 0.32924797459288 0.54113152388180 15.999 33 O 0.51083410988449 0.74312735009270 0.73038535323555 15.999 34 O 0.67075202540712 0.10470390634041 0.95886847611820 15.999 35 O 0.32121756262104 0.16862732572016 0.34114218049436 15.999 36 O 0.51142056123173 0.34954459746726 0.58515503797131 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.239562241688912 0.000000000000000 0.000000000000000 b 0.000000000000000 14.039111979999999 0.000000000000000 c -5.639805447066165 0.000000000000000 7.733673212476694 Atomic positions (fractional): 1 Li 0.00000000000000 0.39635614285152 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.89635614285152 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.10364385714848 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.60364385714848 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.14635614285152 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.64635614285152 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.35364385714848 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.85364385714848 0.75000000000000 6.941 > 3 9 Y 0.00000000000000 0.14768377784817 0.25000000000000 88.906 > 9 10 Y 0.00000000000000 0.64768377784817 0.25000000000000 88.906 > 9 11 Y 0.00000000000000 0.35231622215183 0.75000000000000 88.906 > 11 12 Y 0.00000000000000 0.85231622215183 0.75000000000000 88.906 > 11 13 Y 0.50000000000000 0.39768377784817 0.25000000000000 88.906 > 9 14 Y 0.50000000000000 0.89768377784817 0.25000000000000 88.906 > 9 15 Y 0.50000000000000 0.10231622215183 0.75000000000000 88.906 > 11 16 Y 0.50000000000000 0.60231622215183 0.75000000000000 88.906 > 11 17 P 0.14536802230628 0.32407811578489 0.59663869232485 30.974 > 17 18 P 0.14536802230628 0.82407811578489 0.59663869232485 30.974 > 17 19 P 0.63650501636090 0.22434885600966 0.15776069008425 30.974 > 19 20 P 0.63650501636090 0.72434885600966 0.15776069008425 30.974 > 19 21 P 0.36349498363910 0.27565114399034 0.84223930991575 30.974 > 21 22 P 0.36349498363910 0.77565114399034 0.84223930991575 30.974 > 21 23 P 0.85463197769372 0.17592188421511 0.40336130767515 30.974 > 23 24 P 0.85463197769372 0.67592188421511 0.40336130767515 30.974 > 23 25 P 0.86349498363910 0.47434885600966 0.34223930991575 30.974 > 25 26 P 0.86349498363910 0.97434885600966 0.34223930991575 30.974 > 25 27 P 0.64536802230628 0.42592188421511 0.09663869232484 30.974 > 27 28 P 0.64536802230628 0.92592188421511 0.09663869232484 30.974 > 27 29 P 0.35463197769372 0.07407811578489 0.90336130767515 30.974 > 29 30 P 0.35463197769372 0.57407811578489 0.90336130767515 30.974 > 29 31 P 0.13650501636090 0.02565114399034 0.65776069008425 30.974 > 31 32 P 0.13650501636090 0.52565114399034 0.65776069008425 30.974 > 31 33 P 0.64536802230628 0.07407811578489 0.59663869232485 30.974 > 17 34 P 0.64536802230628 0.57407811578489 0.59663869232485 30.974 > 17 35 P 0.13650501636090 0.47434885600966 0.15776069008425 30.974 > 19 36 P 0.13650501636090 0.97434885600966 0.15776069008425 30.974 > 19 37 P 0.86349498363910 0.02565114399034 0.84223930991575 30.974 > 21 38 P 0.86349498363910 0.52565114399034 0.84223930991575 30.974 > 21 39 P 0.35463197769372 0.42592188421511 0.40336130767515 30.974 > 23 40 P 0.35463197769372 0.92592188421511 0.40336130767515 30.974 > 23 41 P 0.36349498363910 0.22434885600966 0.34223930991575 30.974 > 25 42 P 0.36349498363910 0.72434885600966 0.34223930991575 30.974 > 25 43 P 0.14536802230628 0.17592188421511 0.09663869232484 30.974 > 27 44 P 0.14536802230628 0.67592188421511 0.09663869232484 30.974 > 27 45 P 0.85463197769372 0.32407811578489 0.90336130767515 30.974 > 29 46 P 0.85463197769372 0.82407811578489 0.90336130767515 30.974 > 29 47 P 0.63650501636090 0.27565114399034 0.65776069008425 30.974 > 31 48 P 0.63650501636090 0.77565114399034 0.65776069008425 30.974 > 31 49 O 0.06400731773196 0.00098324096137 0.70194814073803 15.999 > 49 50 O 0.06400731773196 0.50098324096137 0.70194814073803 15.999 > 49 51 O 0.24492244417060 0.03814755922522 0.84114218049436 15.999 > 51 52 O 0.24492244417060 0.53814755922522 0.84114218049436 15.999 > 51 53 O 0.93048257934949 0.29046899094112 0.08515503797131 15.999 > 53 54 O 0.93048257934949 0.79046899094112 0.08515503797131 15.999 > 53 55 O 0.25507755582940 0.28814755922522 0.65885781950564 15.999 > 55 56 O 0.25507755582940 0.78814755922522 0.65885781950564 15.999 > 55 57 O 0.06951742065051 0.20953100905888 0.91484496202869 15.999 > 57 58 O 0.06951742065051 0.70953100905888 0.91484496202869 15.999 > 57 59 O 0.93599268226804 0.49901675903863 0.29805185926197 15.999 > 59 60 O 0.93599268226804 0.99901675903863 0.29805185926197 15.999 > 59 61 O 0.65554715424458 0.31332135045306 0.07631065366906 15.999 > 61 62 O 0.65554715424458 0.81332135045306 0.07631065366906 15.999 > 61 63 O 0.93599268226804 0.00098324096137 0.79805185926197 15.999 > 63 64 O 0.93599268226804 0.50098324096137 0.79805185926197 15.999 > 63 65 O 0.87301927001141 0.19192668994795 0.26961464676445 15.999 > 65 66 O 0.87301927001141 0.69192668994795 0.26961464676445 15.999 > 65 67 O 0.62698072998859 0.44192668994795 0.23038535323555 15.999 > 67 68 O 0.62698072998859 0.94192668994795 0.23038535323555 15.999 > 67 69 O 0.61227203412624 0.14151202976668 0.04113152388180 15.999 > 69 70 O 0.61227203412624 0.64151202976668 0.04113152388180 15.999 > 69 71 O 0.34445284575542 0.18667864954694 0.92368934633094 15.999 > 71 72 O 0.34445284575542 0.68667864954694 0.92368934633094 15.999 > 71 73 O 0.88772796587376 0.39151202976668 0.45886847611820 15.999 > 73 74 O 0.88772796587376 0.89151202976668 0.45886847611820 15.999 > 73 75 O 0.15554715424458 0.43667864954694 0.57631065366906 15.999 > 75 76 O 0.15554715424458 0.93667864954694 0.57631065366906 15.999 > 75 77 O 0.37301927001141 0.05807331005205 0.76961464676445 15.999 > 77 78 O 0.37301927001141 0.55807331005205 0.76961464676445 15.999 > 77 79 O 0.75507755582940 0.46185244077478 0.15885781950564 15.999 > 79 80 O 0.75507755582940 0.96185244077478 0.15885781950564 15.999 > 79 81 O 0.06400731773196 0.49901675903863 0.20194814073803 15.999 > 81 82 O 0.06400731773196 0.99901675903863 0.20194814073803 15.999 > 81 83 O 0.84445284575542 0.06332135045306 0.42368934633094 15.999 > 83 84 O 0.84445284575542 0.56332135045306 0.42368934633094 15.999 > 83 85 O 0.06951742065051 0.29046899094112 0.41484496202869 15.999 > 85 86 O 0.06951742065051 0.79046899094112 0.41484496202869 15.999 > 85 87 O 0.11227203412624 0.10848797023332 0.54113152388180 15.999 > 87 88 O 0.11227203412624 0.60848797023332 0.54113152388180 15.999 > 87 89 O 0.12698072998859 0.30807331005205 0.73038535323555 15.999 > 89 90 O 0.12698072998859 0.80807331005205 0.73038535323555 15.999 > 89 91 O 0.38772796587376 0.35848797023332 0.95886847611820 15.999 > 91 92 O 0.38772796587376 0.85848797023332 0.95886847611820 15.999 > 91 93 O 0.74492244417060 0.21185244077478 0.34114218049436 15.999 > 93 94 O 0.74492244417060 0.71185244077478 0.34114218049436 15.999 > 93 95 O 0.93048257934949 0.20953100905888 0.58515503797131 15.999 > 95 96 O 0.93048257934949 0.70953100905888 0.58515503797131 15.999 > 95 97 O 0.56400731773196 0.25098324096137 0.70194814073803 15.999 > 49 98 O 0.56400731773196 0.75098324096137 0.70194814073803 15.999 > 49 99 O 0.74492244417060 0.28814755922522 0.84114218049436 15.999 > 51 100 O 0.74492244417060 0.78814755922522 0.84114218049436 15.999 > 51 101 O 0.43048257934949 0.04046899094112 0.08515503797131 15.999 > 53 102 O 0.43048257934949 0.54046899094112 0.08515503797131 15.999 > 53 103 O 0.75507755582940 0.03814755922522 0.65885781950564 15.999 > 55 104 O 0.75507755582940 0.53814755922522 0.65885781950564 15.999 > 55 105 O 0.56951742065051 0.45953100905888 0.91484496202869 15.999 > 57 106 O 0.56951742065051 0.95953100905888 0.91484496202869 15.999 > 57 107 O 0.43599268226804 0.24901675903863 0.29805185926197 15.999 > 59 108 O 0.43599268226804 0.74901675903863 0.29805185926197 15.999 > 59 109 O 0.15554715424458 0.06332135045306 0.07631065366906 15.999 > 61 110 O 0.15554715424458 0.56332135045306 0.07631065366906 15.999 > 61 111 O 0.43599268226804 0.25098324096137 0.79805185926197 15.999 > 63 112 O 0.43599268226804 0.75098324096137 0.79805185926197 15.999 > 63 113 O 0.37301927001141 0.44192668994795 0.26961464676445 15.999 > 65 114 O 0.37301927001141 0.94192668994795 0.26961464676445 15.999 > 65 115 O 0.12698072998859 0.19192668994795 0.23038535323555 15.999 > 67 116 O 0.12698072998859 0.69192668994795 0.23038535323555 15.999 > 67 117 O 0.11227203412624 0.39151202976668 0.04113152388180 15.999 > 69 118 O 0.11227203412624 0.89151202976668 0.04113152388180 15.999 > 69 119 O 0.84445284575542 0.43667864954694 0.92368934633094 15.999 > 71 120 O 0.84445284575542 0.93667864954694 0.92368934633094 15.999 > 71 121 O 0.38772796587376 0.14151202976668 0.45886847611820 15.999 > 73 122 O 0.38772796587376 0.64151202976668 0.45886847611820 15.999 > 73 123 O 0.65554715424458 0.18667864954694 0.57631065366906 15.999 > 75 124 O 0.65554715424458 0.68667864954694 0.57631065366906 15.999 > 75 125 O 0.87301927001141 0.30807331005205 0.76961464676445 15.999 > 77 126 O 0.87301927001141 0.80807331005205 0.76961464676445 15.999 > 77 127 O 0.25507755582940 0.21185244077478 0.15885781950564 15.999 > 79 128 O 0.25507755582940 0.71185244077478 0.15885781950564 15.999 > 79 129 O 0.56400731773196 0.24901675903863 0.20194814073803 15.999 > 81 130 O 0.56400731773196 0.74901675903863 0.20194814073803 15.999 > 81 131 O 0.34445284575542 0.31332135045306 0.42368934633094 15.999 > 83 132 O 0.34445284575542 0.81332135045306 0.42368934633094 15.999 > 83 133 O 0.56951742065051 0.04046899094112 0.41484496202869 15.999 > 85 134 O 0.56951742065051 0.54046899094112 0.41484496202869 15.999 > 85 135 O 0.61227203412624 0.35848797023332 0.54113152388180 15.999 > 87 136 O 0.61227203412624 0.85848797023332 0.54113152388180 15.999 > 87 137 O 0.62698072998859 0.05807331005205 0.73038535323555 15.999 > 89 138 O 0.62698072998859 0.55807331005205 0.73038535323555 15.999 > 89 139 O 0.88772796587376 0.10848797023332 0.95886847611820 15.999 > 91 140 O 0.88772796587376 0.60848797023332 0.95886847611820 15.999 > 91 141 O 0.24492244417060 0.46185244077478 0.34114218049436 15.999 > 93 142 O 0.24492244417060 0.96185244077478 0.34114218049436 15.999 > 93 143 O 0.43048257934949 0.45953100905888 0.58515503797131 15.999 > 95 144 O 0.43048257934949 0.95953100905888 0.58515503797131 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7626962 0.0000000 0.0398069 0.0000000 2.7628684 0.0000000 0.0398067 0.0000000 2.7561230 -------------------------- Born effective charges -------------------------- 1 Li 1.0105145 0.0000000 -0.0805589 0.0000000 1.0903147 -0.0000000 -0.0551187 0.0000000 1.2162067 2 Li 1.0105145 0.0000000 -0.0805589 0.0000000 1.0903147 -0.0000000 -0.0551187 0.0000000 1.2162067 3 Y 4.1586107 0.0000000 -0.3114557 0.0000000 3.8540776 -0.0000000 -0.5133820 0.0000000 4.1987097 4 Y 4.1586107 0.0000000 -0.3114557 0.0000000 3.8540776 -0.0000000 -0.5133820 0.0000000 4.1987097 5 P 3.6288146 -0.2860129 -0.0750657 -0.2060402 3.8022883 0.2675654 0.7342932 -0.0079449 3.3883264 6 P 3.5670657 -0.1898445 0.8466942 0.0197462 3.6596922 -0.4323490 0.1906504 0.3615033 3.4293410 7 P 3.5670657 -0.1898445 0.8466942 0.0197462 3.6596922 -0.4323490 0.1906504 0.3615033 3.4293410 8 P 3.6288146 -0.2860129 -0.0750657 -0.2060402 3.8022883 0.2675654 0.7342932 -0.0079449 3.3883264 9 P 3.5670657 0.1898445 0.8466942 -0.0197462 3.6596922 0.4323490 0.1906504 -0.3615033 3.4293410 10 P 3.6288146 0.2860129 -0.0750657 0.2060402 3.8022883 -0.2675654 0.7342932 0.0079449 3.3883264 11 P 3.6288146 0.2860129 -0.0750657 0.2060402 3.8022883 -0.2675654 0.7342932 0.0079449 3.3883264 12 P 3.5670657 0.1898445 0.8466942 -0.0197462 3.6596922 0.4323490 0.1906504 -0.3615033 3.4293410 13 O -2.1060606 -0.3939509 0.1972513 -0.2736110 -1.4009660 0.0465670 0.2053903 0.1260101 -1.1215413 14 O -2.2926361 -0.4365234 -1.1403286 -0.6116466 -1.0912757 -0.4681877 -1.1424437 -0.2468604 -1.9257160 15 O -0.9961537 0.0309309 -0.1016624 0.0469613 -1.6875141 0.6116402 -0.1771576 0.4868693 -2.1396954 16 O -2.2926361 0.4365234 -1.1403286 0.6116466 -1.0912757 0.4681877 -1.1424437 0.2468604 -1.9257160 17 O -0.9961537 0.0309309 -0.1016624 0.0469613 -1.6875141 0.6116402 -0.1771576 0.4868693 -2.1396954 18 O -2.1060606 -0.3939509 0.1972513 -0.2736110 -1.4009660 0.0465670 0.2053903 0.1260101 -1.1215413 19 O -1.0710197 -0.2213170 0.0690541 -0.3146598 -2.9819644 0.3533635 0.0790778 0.1961767 -1.0454434 20 O -2.1060606 0.3939509 0.1972513 0.2736110 -1.4009660 -0.0465670 0.2053903 -0.1260101 -1.1215413 21 O -2.2710363 0.1436917 0.5501985 0.1331145 -1.1131569 -0.0073101 0.3848609 0.0045168 -1.2579337 22 O -2.2710363 -0.1436917 0.5501985 -0.1331145 -1.1131569 0.0073101 0.3848609 -0.0045168 -1.2579337 23 O -1.0435364 0.0806703 -0.1501341 0.1500818 -1.6592995 -0.6255713 0.0095789 -0.6858266 -2.0347959 24 O -1.0710197 -0.2213170 0.0690541 -0.3146598 -2.9819644 0.3533635 0.0790778 0.1961767 -1.0454434 25 O -1.0435364 -0.0806703 -0.1501341 -0.1500818 -1.6592995 0.6255713 0.0095789 0.6858266 -2.0347959 26 O -1.0710197 0.2213170 0.0690541 0.3146598 -2.9819644 -0.3533635 0.0790778 -0.1961767 -1.0454434 27 O -2.2710363 -0.1436917 0.5501985 -0.1331145 -1.1131569 0.0073101 0.3848609 -0.0045168 -1.2579337 28 O -2.2926361 -0.4365234 -1.1403286 -0.6116466 -1.0912757 -0.4681877 -1.1424437 -0.2468604 -1.9257160 29 O -2.1060606 0.3939509 0.1972513 0.2736110 -1.4009660 -0.0465670 0.2053903 -0.1260101 -1.1215413 30 O -1.0710197 0.2213170 0.0690541 0.3146598 -2.9819644 -0.3533635 0.0790778 -0.1961767 -1.0454434 31 O -0.9961537 -0.0309309 -0.1016624 -0.0469613 -1.6875141 -0.6116402 -0.1771576 -0.4868693 -2.1396954 32 O -1.0435364 -0.0806703 -0.1501341 -0.1500818 -1.6592995 0.6255713 0.0095789 0.6858266 -2.0347959 33 O -2.2710363 0.1436917 0.5501985 0.1331145 -1.1131569 -0.0073101 0.3848609 0.0045168 -1.2579337 34 O -1.0435364 0.0806703 -0.1501341 0.1500818 -1.6592995 -0.6255713 0.0095789 -0.6858266 -2.0347959 35 O -2.2926361 0.4365234 -1.1403286 0.6116466 -1.0912757 0.4681877 -1.1424437 0.2468604 -1.9257160 36 O -0.9961537 -0.0309309 -0.1016624 -0.0469613 -1.6875141 -0.6116402 -0.1771576 -0.4868693 -2.1396954 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] 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: 0.55, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 12.057 ( 0.000 0.000 0.000) 0.000 12.326 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.993 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.513 ( 0.000 0.000 0.000) 0.000 13.683 ( 0.000 0.000 0.000) 0.000 13.710 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 14.784 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.229 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 16.300 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 16.703 ( 0.000 0.000 0.000) 0.000 16.949 ( 0.000 0.000 0.000) 0.000 17.157 ( 0.000 0.000 0.000) 0.000 17.166 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 20.131 ( 0.000 0.000 0.000) 0.000 20.870 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 0.000 0.000) 0.000 21.869 ( 0.000 0.000 0.000) 0.000 22.300 ( 0.000 0.000 0.000) 0.000 23.184 ( 0.000 0.000 0.000) 0.000 23.523 ( 0.000 0.000 0.000) 0.000 26.965 ( 0.000 0.000 0.000) 0.000 26.978 ( 0.000 0.000 0.000) 0.000 29.301 ( 0.000 0.000 0.000) 0.000 29.426 ( 0.000 0.000 0.000) 0.000 30.345 ( 0.000 0.000 0.000) 0.000 30.764 ( 0.000 0.000 0.000) 0.000 30.865 ( 0.000 0.000 0.000) 0.000 30.919 ( 0.000 0.000 0.000) 0.000 31.491 ( 0.000 0.000 0.000) 0.000 31.723 ( 0.000 0.000 0.000) 0.000 31.883 ( 0.000 0.000 0.000) 0.000 32.024 ( 0.000 0.000 0.000) 0.000 32.435 ( 0.000 0.000 0.000) 0.000 32.641 ( 0.000 0.000 0.000) 0.000 33.570 ( 0.000 0.000 0.000) 0.000 34.089 ( 0.000 0.000 0.000) 0.000 35.284 ( 0.000 0.000 0.000) 0.000 35.390 ( 0.000 0.000 0.000) 0.000 35.507 ( 0.000 0.000 0.000) 0.000 36.092 ( 0.000 0.000 0.000) 0.000 36.101 ( 0.000 0.000 0.000) 0.000 36.134 ( 0.000 0.000 0.000) 0.000 36.471 ( 0.000 0.000 0.000) 0.000 38.381 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 19.524 -23.111 8.078) 31.314 0.771 ( 30.975 -23.939 17.486) 42.875 1.188 ( 11.123 -54.053 16.539) 57.611 2.494 ( 9.511 -4.677 1.229) 10.669 2.635 ( 1.289 -13.535 3.860) 14.133 2.713 ( -0.298 3.259 1.228) 3.495 2.825 ( 1.269 10.635 -0.874) 10.746 3.409 ( -1.069 11.442 -1.610) 11.604 3.499 ( 0.769 0.387 3.913) 4.006 3.676 ( -1.901 -0.103 2.041) 2.791 3.884 ( -3.515 1.449 1.387) 4.047 4.010 ( 2.753 -1.455 -3.802) 4.915 4.108 ( -2.671 0.061 -2.613) 3.738 4.133 ( -0.006 -2.308 -2.282) 3.245 4.369 ( 0.899 6.268 -2.685) 6.877 4.569 ( 0.229 -9.229 4.639) 10.331 4.811 ( -3.985 -1.165 -8.546) 9.501 5.054 ( -5.508 -8.051 -5.499) 11.198 5.325 ( -0.498 -6.671 -0.087) 6.690 5.401 ( -9.260 -1.632 -0.466) 9.414 5.433 ( -8.640 0.320 -10.155) 13.337 5.617 ( 0.382 4.868 -8.753) 10.023 5.772 ( -13.903 -6.812 -8.689) 17.754 5.810 ( -1.695 7.227 1.777) 7.633 5.918 ( 0.099 4.762 5.854) 7.547 6.018 ( 8.743 1.719 4.421) 9.947 6.165 ( 1.805 1.655 15.629) 15.820 6.531 ( 3.880 4.985 1.772) 6.561 6.653 ( -8.733 -1.616 3.355) 9.494 6.752 ( 7.596 -2.192 -2.695) 8.353 7.789 ( 5.903 -0.386 2.614) 6.468 8.068 ( -7.448 6.026 -5.171) 10.887 8.235 ( 3.399 4.623 -2.404) 6.221 8.404 ( 3.932 -2.757 -1.959) 5.186 8.902 ( 5.009 3.852 10.300) 12.084 9.085 ( -0.079 -1.808 0.560) 1.894 9.137 ( 1.264 -3.235 0.395) 3.495 9.260 ( 1.306 -3.476 0.985) 3.842 9.361 ( 2.141 0.534 3.109) 3.813 9.658 ( -6.258 -1.697 0.124) 6.485 9.772 ( -5.539 0.328 0.675) 5.589 9.888 ( 14.315 1.373 8.925) 16.926 10.039 ( 10.338 5.034 -2.813) 11.838 10.337 ( -2.013 3.302 -5.777) 6.952 10.441 ( 3.390 3.925 2.362) 5.698 10.955 ( -3.617 10.355 -1.210) 11.035 11.194 ( -4.803 2.858 -1.020) 5.681 11.253 ( -0.619 0.818 -2.430) 2.637 11.385 ( 0.814 -4.143 -1.332) 4.427 11.495 ( 5.211 3.346 10.763) 12.418 11.645 ( 2.997 1.703 2.153) 4.064 11.685 ( 0.337 -0.401 4.791) 4.820 12.041 ( 0.036 -1.178 -1.962) 2.289 12.344 ( 4.675 2.929 2.423) 6.026 12.487 ( 1.069 2.500 0.143) 2.723 12.654 ( 2.878 -3.493 0.549) 4.559 12.942 ( 0.052 4.650 -1.052) 4.768 13.106 ( -0.780 4.131 1.135) 4.355 13.152 ( 1.711 -3.006 -1.048) 3.614 13.572 ( -1.844 5.345 -0.556) 5.682 13.619 ( 0.025 -1.887 -0.941) 2.109 13.785 ( -4.575 -6.831 -2.008) 8.463 14.285 ( 11.065 11.528 12.091) 20.039 14.602 ( -0.261 1.130 -0.030) 1.160 14.736 ( 0.543 -9.212 0.110) 9.229 15.191 ( -3.538 -8.463 -2.409) 9.484 15.332 ( 3.692 -9.811 4.183) 11.287 15.545 ( -4.362 -9.335 -4.673) 11.314 16.032 ( -2.076 8.507 -5.738) 10.469 16.228 ( -0.886 9.504 4.892) 10.726 16.645 ( -0.786 5.964 -0.466) 6.034 16.964 ( -2.130 -3.303 -0.822) 4.015 17.201 ( -3.368 -5.371 1.022) 6.422 17.206 ( -0.237 -2.570 -5.434) 6.015 17.250 ( -3.425 -2.556 0.506) 4.303 17.506 ( -18.823 -12.111 -15.749) 27.368 19.748 ( 2.905 -3.331 -0.316) 4.431 20.169 ( -0.892 -5.078 -2.162) 5.591 20.763 ( 1.034 9.585 -0.346) 9.647 20.981 ( -0.084 2.429 0.218) 2.440 21.942 ( -1.755 -5.483 7.202) 9.220 22.383 ( 0.443 -8.240 0.680) 8.280 23.126 ( -2.932 4.261 -2.130) 5.594 23.534 ( -2.677 4.047 -1.577) 5.102 27.050 ( 0.110 -9.433 -0.002) 9.434 28.145 ( -67.120 -45.309 -43.968) 92.148 29.216 ( 6.099 13.872 -0.868) 15.179 29.333 ( 1.153 11.571 0.832) 11.658 30.762 ( 16.058 6.621 5.599) 18.250 30.837 ( -3.955 -6.666 0.906) 7.804 30.938 ( -0.238 -2.682 -0.813) 2.813 31.128 ( 22.482 8.551 19.171) 30.759 31.756 ( -2.189 -1.794 -2.508) 3.782 31.782 ( -0.367 6.525 4.552) 7.964 31.927 ( 1.711 9.730 -0.474) 9.891 32.331 ( -7.571 -9.683 7.772) 14.543 32.744 ( 0.939 -8.890 2.592) 9.308 32.962 ( 69.212 33.784 20.918) 79.807 33.547 ( -0.736 2.942 -0.813) 3.139 34.050 ( -0.984 4.174 0.679) 4.342 35.294 ( 0.488 -0.905 -0.044) 1.029 35.405 ( 0.054 -1.513 -0.113) 1.518 35.516 ( 0.524 -1.002 -0.893) 1.441 36.081 ( 4.439 0.337 -8.430) 9.533 36.137 ( -5.115 0.388 8.949) 10.315 36.436 ( -2.330 2.194 -1.766) 3.655 37.057 ( -23.097 -18.080 -8.326) 30.491 38.360 ( 2.657 6.480 3.041) 7.635 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 20.016 -24.177 7.309) 32.227 1.514 ( 27.716 -24.020 13.260) 39.000 2.171 ( 2.474 -33.769 9.833) 35.258 2.594 ( 8.217 -2.992 2.377) 9.062 2.636 ( -3.248 -3.075 -3.762) 5.845 2.830 ( 9.483 -7.906 0.204) 12.348 3.018 ( 8.080 -13.315 3.185) 15.897 3.283 ( 2.267 1.298 8.310) 8.711 3.501 ( -0.520 2.780 3.982) 4.884 3.697 ( -2.481 -2.505 4.019) 5.346 3.803 ( -7.207 3.255 -0.775) 7.946 3.948 ( 3.699 7.909 -0.426) 8.742 4.062 ( -2.530 5.137 -3.215) 6.567 4.139 ( -3.274 2.087 0.951) 3.997 4.283 ( 3.263 0.269 3.406) 4.724 4.616 ( -8.590 -0.509 -5.853) 10.407 4.740 ( -4.465 1.173 -11.712) 12.589 4.987 ( -14.391 -0.045 -8.036) 16.482 5.206 ( -5.790 7.848 -9.888) 13.888 5.317 ( -5.272 2.741 -5.836) 8.328 5.509 ( -1.268 -7.886 -0.176) 7.990 5.597 ( 4.715 -3.841 6.353) 8.794 5.715 ( 0.641 2.889 -1.225) 3.203 5.798 ( -6.400 -2.060 3.557) 7.606 5.863 ( -3.865 0.318 3.049) 4.933 6.064 ( 9.364 2.094 0.895) 9.637 6.211 ( 0.906 1.620 6.805) 7.054 6.475 ( 5.157 6.133 0.477) 8.027 6.624 ( -10.073 -1.664 2.159) 10.436 6.795 ( 5.553 1.214 -4.066) 6.989 7.865 ( 2.976 0.096 1.640) 3.400 7.923 ( 2.051 2.791 -0.931) 3.587 8.165 ( -1.170 2.298 -1.116) 2.809 8.454 ( 2.467 -2.021 -1.852) 3.688 8.928 ( -0.225 0.831 2.194) 2.357 9.107 ( 1.026 0.557 2.993) 3.212 9.170 ( -0.887 0.790 -1.543) 1.948 9.355 ( 5.544 -5.091 2.726) 8.006 9.398 ( 1.561 -0.254 3.192) 3.562 9.613 ( -6.634 3.261 0.887) 7.445 9.778 ( 0.271 -2.322 0.799) 2.470 9.931 ( 5.727 0.769 -2.718) 6.386 10.096 ( -0.436 0.736 -1.497) 1.724 10.187 ( 0.032 3.091 0.551) 3.140 10.429 ( 4.004 2.357 2.218) 5.149 10.753 ( -1.655 8.795 -0.807) 8.985 11.078 ( -2.683 4.955 -1.240) 5.769 11.236 ( 1.461 -0.947 -2.358) 2.931 11.392 ( -0.695 0.077 -2.924) 3.007 11.566 ( 7.387 3.492 10.730) 13.487 11.645 ( 1.192 0.125 0.398) 1.263 11.744 ( -1.722 -4.173 4.095) 6.095 12.135 ( 0.805 -9.464 -0.858) 9.537 12.335 ( 3.184 2.697 1.457) 4.420 12.434 ( 2.625 4.957 0.019) 5.609 12.678 ( -3.576 1.743 -2.235) 4.563 12.843 ( 1.716 6.831 0.387) 7.054 12.962 ( -8.786 6.438 -2.156) 11.103 13.212 ( 3.627 -1.761 -1.372) 4.259 13.539 ( 1.194 -2.158 4.062) 4.752 13.631 ( -1.130 -0.731 -2.826) 3.130 13.857 ( -5.973 -6.687 -1.428) 9.080 14.268 ( 12.488 8.519 10.942) 18.661 14.614 ( 0.715 -2.708 -0.249) 2.812 14.922 ( 1.562 -9.284 1.931) 9.611 15.282 ( -6.651 -8.197 -4.110) 11.328 15.521 ( -4.028 -4.211 -2.256) 6.248 15.697 ( 0.458 -10.397 -1.704) 10.546 15.879 ( 1.554 3.668 -0.520) 4.018 16.061 ( 1.247 7.418 3.836) 8.444 16.499 ( -1.083 8.445 0.006) 8.514 17.021 ( -3.346 -5.749 -0.961) 6.721 17.122 ( -10.326 0.392 -8.346) 13.283 17.276 ( -3.705 -4.635 1.361) 6.088 17.341 ( 3.909 -3.011 2.595) 5.575 17.477 ( -1.506 -0.791 -6.935) 7.140 19.857 ( 4.678 -5.605 -0.354) 7.309 20.265 ( -1.515 -8.170 -3.263) 8.927 20.581 ( 0.994 11.229 -0.005) 11.272 20.882 ( 0.106 8.128 0.117) 8.130 22.120 ( -1.114 -11.007 5.324) 12.278 22.577 ( 0.475 -11.902 0.748) 11.935 22.980 ( -3.847 7.193 -2.742) 8.606 23.399 ( -1.106 8.355 -0.643) 8.453 27.294 ( 1.025 -17.046 0.273) 17.079 28.205 ( -30.803 -23.679 -19.663) 43.545 28.965 ( 3.263 18.585 1.468) 18.926 29.066 ( 3.279 18.685 0.099) 18.971 30.814 ( 2.304 -2.323 0.263) 3.282 30.938 ( -2.980 -7.434 -3.020) 8.559 31.006 ( -1.253 -6.313 -1.090) 6.528 31.276 ( 8.616 -2.302 7.347) 11.555 31.606 ( -2.432 7.026 -2.219) 7.759 31.738 ( 1.201 11.230 0.376) 11.300 31.856 ( 2.492 -2.275 5.335) 6.313 32.496 ( 0.862 -6.549 6.925) 9.571 32.946 ( 8.642 -5.030 5.677) 11.498 33.036 ( 22.442 4.489 3.782) 23.197 33.461 ( -1.809 4.574 -1.741) 5.218 33.936 ( -1.974 7.768 1.104) 8.090 35.321 ( 0.790 -1.412 0.002) 1.618 35.440 ( -0.576 -2.328 0.627) 2.479 35.538 ( 0.814 -1.506 -1.251) 2.120 36.062 ( 4.611 0.117 -8.287) 9.484 36.139 ( -5.117 0.561 8.879) 10.264 36.348 ( -3.587 3.417 -2.600) 5.595 37.191 ( -11.647 -16.271 -6.388) 21.005 38.245 ( 5.048 12.262 5.337) 14.294 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 18.930 -22.783 5.915) 30.206 2.168 ( 19.288 -21.353 5.397) 29.277 2.440 ( -2.690 -5.733 4.554) 7.800 2.693 ( 6.438 -5.640 -5.696) 10.281 2.877 ( -4.546 -6.038 5.756) 9.501 2.966 ( 2.732 -4.897 -5.947) 8.175 3.291 ( 0.727 -0.103 3.111) 3.197 3.424 ( 0.596 -9.148 14.513) 17.166 3.519 ( 6.620 -0.070 2.401) 7.042 3.611 ( 1.145 6.016 -11.598) 13.116 3.763 ( -5.489 -3.650 5.912) 8.855 3.855 ( 1.975 7.299 2.798) 8.063 3.885 ( -1.128 7.904 0.278) 7.989 4.107 ( -1.790 -3.369 3.008) 4.858 4.388 ( -2.740 0.665 6.488) 7.074 4.474 ( -0.238 1.551 -9.556) 9.684 4.544 ( -10.457 2.913 -10.655) 15.211 4.847 ( -8.331 0.163 -1.150) 8.412 5.062 ( -1.424 1.655 -3.402) 4.043 5.265 ( -1.451 -1.939 1.829) 3.035 5.541 ( -1.149 1.316 -0.577) 1.840 5.681 ( 1.485 0.749 0.998) 1.940 5.732 ( 0.441 -1.106 -0.144) 1.199 5.756 ( -1.115 2.466 -1.854) 3.281 5.812 ( -6.694 3.793 0.928) 7.750 6.127 ( 7.661 -2.546 -3.126) 8.657 6.222 ( -0.226 1.233 5.932) 6.064 6.420 ( 3.477 2.773 -0.375) 4.464 6.577 ( -7.708 -0.236 -0.511) 7.728 6.771 ( 2.657 1.720 -3.314) 4.583 7.834 ( 0.173 0.791 -0.283) 0.858 7.993 ( 8.169 -0.545 2.921) 8.692 8.134 ( -0.752 0.172 0.075) 0.775 8.469 ( -4.251 -0.438 -2.497) 4.949 8.916 ( -0.496 -2.052 -2.287) 3.112 9.107 ( 0.693 2.389 1.217) 2.769 9.130 ( 0.752 1.781 0.003) 1.933 9.407 ( 0.485 1.199 0.539) 1.401 9.519 ( 5.583 -3.252 7.627) 9.996 9.526 ( -5.349 -0.870 -0.542) 5.446 9.762 ( 2.102 2.345 -5.333) 6.193 9.865 ( -1.831 11.902 -3.571) 12.561 10.059 ( 0.824 -9.079 4.009) 9.959 10.294 ( -0.037 -4.636 3.034) 5.540 10.401 ( -0.185 4.016 -1.071) 4.161 10.631 ( 1.862 4.795 1.393) 5.329 10.987 ( -0.778 3.002 -0.526) 3.145 11.284 ( 3.603 -2.835 -1.487) 4.820 11.367 ( 0.395 0.783 -1.532) 1.765 11.591 ( 3.501 3.126 6.328) 7.878 11.668 ( 1.853 -0.465 0.298) 1.934 11.854 ( -1.862 -6.124 4.478) 7.812 12.286 ( 0.006 -2.390 -0.032) 2.390 12.328 ( 1.807 1.993 1.222) 2.954 12.399 ( 2.058 -5.544 -4.040) 7.162 12.545 ( -5.704 4.186 -3.615) 7.946 12.708 ( -1.155 8.848 0.113) 8.924 12.781 ( -3.837 6.784 -0.359) 7.803 13.252 ( 2.114 -0.752 -0.390) 2.277 13.586 ( -2.248 0.229 -1.794) 2.885 13.696 ( 3.152 -5.987 4.870) 8.336 13.918 ( -4.567 -5.737 0.196) 7.336 14.261 ( 9.932 7.769 5.649) 13.817 14.681 ( 0.720 -3.166 -2.025) 3.827 15.079 ( -0.391 -6.092 0.457) 6.121 15.308 ( -5.875 -3.900 -3.525) 7.884 15.495 ( -1.480 -1.071 -1.401) 2.302 15.646 ( -3.503 10.861 1.126) 11.467 15.956 ( -1.201 -9.619 -1.018) 9.747 16.160 ( 8.689 -3.329 2.870) 9.737 16.380 ( 1.665 2.607 2.829) 4.192 16.952 ( -11.223 3.722 -7.276) 13.883 17.103 ( -1.431 -5.674 -1.014) 5.939 17.303 ( -2.291 0.254 1.765) 2.904 17.417 ( 2.453 -1.591 0.712) 3.009 17.448 ( 1.371 0.408 -3.165) 3.473 20.008 ( 3.965 -7.931 -1.051) 8.929 20.371 ( -4.437 4.132 4.154) 7.349 20.406 ( 2.896 -2.300 -6.858) 7.792 20.720 ( 0.144 9.987 1.186) 10.058 22.350 ( -0.407 -11.961 3.852) 12.572 22.771 ( -1.158 0.803 -4.423) 4.642 22.826 ( -1.527 -4.327 2.400) 5.179 23.224 ( 0.033 10.377 -0.186) 10.379 27.662 ( 2.411 -21.897 0.842) 22.046 28.285 ( -16.525 -14.369 -9.725) 23.960 28.598 ( -1.900 22.156 -1.650) 22.299 28.805 ( 6.612 15.080 2.892) 16.718 30.881 ( -1.347 -4.904 -0.962) 5.176 30.991 ( -1.121 -1.674 -2.151) 2.947 31.126 ( -1.464 -8.193 -0.186) 8.325 31.389 ( 3.464 -0.330 2.071) 4.049 31.478 ( -0.684 3.747 -1.322) 4.032 31.571 ( 0.933 7.775 0.480) 7.846 31.935 ( 1.440 -1.395 4.148) 4.607 32.643 ( 2.859 -4.128 4.904) 7.019 33.054 ( 11.397 2.900 3.010) 12.140 33.216 ( 1.132 -9.742 0.417) 9.816 33.362 ( 0.043 2.609 -2.289) 3.471 33.764 ( -2.649 9.827 1.169) 10.245 35.350 ( 0.631 -1.092 0.062) 1.263 35.478 ( -0.535 -1.755 0.600) 1.931 35.563 ( 0.693 -1.146 -0.916) 1.623 36.061 ( 3.988 -0.685 -5.537) 6.858 36.137 ( -3.825 0.556 6.293) 7.385 36.246 ( -3.042 3.058 -2.285) 4.881 37.366 ( -7.087 -14.220 -5.140) 16.699 38.078 ( 4.941 13.167 5.101) 14.960 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 -0.000 0.000) 0.000 2.376 ( -0.000 -0.000 -0.000) 0.000 2.506 ( 0.000 -0.000 0.000) 0.000 2.762 ( -0.000 -0.000 0.000) 0.000 2.915 ( 0.000 -0.000 -0.000) 0.000 3.081 ( -0.000 -0.000 -0.000) 0.000 3.139 ( 0.000 -0.000 0.000) 0.000 3.399 ( 0.000 -0.000 -0.000) 0.000 3.560 ( -0.000 -0.000 0.000) 0.000 3.643 ( 0.000 -0.000 -0.000) 0.000 3.714 ( -0.000 -0.000 0.000) 0.000 3.803 ( 0.000 -0.000 -0.000) 0.000 3.962 ( 0.000 -0.000 0.000) 0.000 4.178 ( 0.000 -0.000 0.000) 0.000 4.258 ( -0.000 0.000 -0.000) 0.000 4.395 ( 0.000 -0.000 0.000) 0.000 4.521 ( -0.000 -0.000 0.000) 0.000 4.865 ( 0.000 -0.000 0.000) 0.000 5.030 ( -0.000 -0.000 0.000) 0.000 5.409 ( 0.000 -0.000 0.000) 0.000 5.430 ( 0.000 0.000 -0.000) 0.000 5.597 ( 0.000 -0.000 -0.000) 0.000 5.676 ( 0.000 -0.000 0.000) 0.000 5.762 ( 0.000 -0.000 0.000) 0.000 5.782 ( -0.000 -0.000 -0.000) 0.000 6.197 ( 0.000 -0.000 -0.000) 0.000 6.209 ( -0.000 0.000 0.000) 0.000 6.420 ( 0.000 -0.000 -0.000) 0.000 6.536 ( 0.000 -0.000 0.000) 0.000 6.756 ( 0.000 -0.000 -0.000) 0.000 7.834 ( 0.000 -0.000 -0.000) 0.000 8.050 ( 0.000 -0.000 0.000) 0.000 8.133 ( -0.000 -0.000 0.000) 0.000 8.419 ( 0.000 -0.000 0.000) 0.000 8.960 ( -0.000 -0.000 0.000) 0.000 9.061 ( 0.000 -0.000 0.000) 0.000 9.124 ( 0.000 -0.000 0.000) 0.000 9.392 ( 0.000 -0.000 0.000) 0.000 9.544 ( 0.000 -0.000 -0.000) 0.000 9.600 ( 0.000 -0.000 0.000) 0.000 9.716 ( 0.000 -0.000 0.000) 0.000 9.717 ( 0.000 -0.000 -0.000) 0.000 10.227 ( 0.000 -0.000 0.000) 0.000 10.294 ( 0.000 0.000 -0.000) 0.000 10.342 ( -0.000 -0.000 -0.000) 0.000 10.607 ( 0.000 -0.000 0.000) 0.000 10.956 ( 0.000 -0.000 0.000) 0.000 11.336 ( 0.000 -0.000 -0.000) 0.000 11.353 ( 0.000 -0.000 0.000) 0.000 11.593 ( -0.000 -0.000 -0.000) 0.000 11.682 ( 0.000 -0.000 0.000) 0.000 11.924 ( 0.000 -0.000 0.000) 0.000 12.291 ( -0.000 -0.000 -0.000) 0.000 12.333 ( 0.000 -0.000 0.000) 0.000 12.394 ( 0.000 -0.000 -0.000) 0.000 12.602 ( 0.000 -0.000 -0.000) 0.000 12.611 ( 0.000 -0.000 0.000) 0.000 12.623 ( -0.000 0.000 0.000) 0.000 13.267 ( 0.000 -0.000 0.000) 0.000 13.565 ( 0.000 -0.000 0.000) 0.000 13.782 ( 0.000 -0.000 0.000) 0.000 13.984 ( 0.000 -0.000 0.000) 0.000 14.225 ( 0.000 -0.000 0.000) 0.000 14.695 ( 0.000 -0.000 0.000) 0.000 15.130 ( 0.000 -0.000 0.000) 0.000 15.357 ( 0.000 -0.000 0.000) 0.000 15.457 ( 0.000 -0.000 -0.000) 0.000 15.526 ( 0.000 -0.000 0.000) 0.000 16.065 ( 0.000 -0.000 0.000) 0.000 16.164 ( 0.000 -0.000 -0.000) 0.000 16.465 ( 0.000 -0.000 0.000) 0.000 16.808 ( -0.000 -0.000 -0.000) 0.000 17.161 ( 0.000 -0.000 0.000) 0.000 17.280 ( 0.000 -0.000 0.000) 0.000 17.443 ( 0.000 0.000 0.000) 0.000 17.444 ( -0.000 -0.000 -0.000) 0.000 20.174 ( -0.000 0.000 0.000) 0.000 20.199 ( 0.000 -0.000 -0.000) 0.000 20.522 ( 0.000 -0.000 -0.000) 0.000 20.577 ( 0.000 0.000 0.000) 0.000 22.542 ( 0.000 -0.000 0.000) 0.000 22.615 ( 0.000 -0.000 0.000) 0.000 23.009 ( -0.000 -0.000 0.000) 0.000 23.046 ( 0.000 0.000 0.000) 0.000 28.041 ( 0.000 0.000 0.000) 0.000 28.179 ( 0.000 -0.000 0.000) 0.000 28.370 ( -0.000 -0.000 -0.000) 0.000 28.691 ( 0.000 -0.000 0.000) 0.000 30.939 ( -0.000 -0.000 0.000) 0.000 30.972 ( 0.000 0.000 0.000) 0.000 31.231 ( 0.000 -0.000 0.000) 0.000 31.339 ( 0.000 -0.000 0.000) 0.000 31.486 ( 0.000 -0.000 0.000) 0.000 31.495 ( -0.000 0.000 -0.000) 0.000 31.966 ( 0.000 -0.000 0.000) 0.000 32.712 ( 0.000 -0.000 0.000) 0.000 33.079 ( -0.000 -0.000 -0.000) 0.000 33.263 ( 0.000 -0.000 -0.000) 0.000 33.421 ( 0.000 -0.000 0.000) 0.000 33.620 ( 0.000 -0.000 -0.000) 0.000 35.364 ( 0.000 -0.000 0.000) 0.000 35.494 ( 0.000 -0.000 0.000) 0.000 35.574 ( 0.000 -0.000 0.000) 0.000 36.075 ( 0.000 -0.000 0.000) 0.000 36.132 ( 0.000 -0.000 -0.000) 0.000 36.194 ( -0.000 -0.000 0.000) 0.000 37.471 ( 0.000 -0.000 0.000) 0.000 37.973 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 25.182 0.000 23.023) 34.120 0.673 ( 28.515 0.000 19.840) 34.738 1.255 ( 50.467 0.000 38.185) 63.285 2.460 ( -7.877 -0.000 5.038) 9.350 2.670 ( 27.871 0.000 7.454) 28.851 2.765 ( -1.424 -0.000 3.151) 3.458 2.939 ( -1.117 -0.000 -1.164) 1.613 3.506 ( -6.299 -0.000 0.331) 6.307 3.544 ( 2.041 0.000 5.012) 5.412 3.681 ( -1.489 -0.000 3.295) 3.615 3.864 ( -4.096 -0.000 -4.930) 6.410 3.952 ( 1.577 0.000 -14.352) 14.439 4.032 ( -2.403 -0.000 -5.301) 5.820 4.087 ( 1.297 0.000 -3.044) 3.309 4.402 ( 2.952 0.000 -6.750) 7.368 4.585 ( -0.500 -0.000 13.630) 13.639 4.653 ( -5.929 -0.000 -9.907) 11.546 4.923 ( -2.538 -0.000 -0.946) 2.709 5.236 ( -13.981 -0.000 -13.958) 19.756 5.239 ( 6.075 0.000 5.412) 8.136 5.376 ( 4.331 0.000 11.801) 12.570 5.442 ( -17.122 -0.000 -15.149) 22.862 5.626 ( -3.470 -0.000 -11.231) 11.755 5.891 ( -1.925 -0.000 2.245) 2.957 5.970 ( -2.705 -0.000 5.220) 5.880 6.181 ( 4.200 0.000 11.466) 12.211 6.235 ( -6.574 -0.000 14.235) 15.679 6.529 ( -10.575 -0.000 -0.079) 10.575 6.726 ( 10.253 0.000 6.279) 12.023 6.755 ( 7.148 0.000 -1.636) 7.333 7.859 ( 8.487 0.000 2.821) 8.943 8.030 ( -7.652 -0.000 -11.175) 13.544 8.267 ( -0.511 -0.000 -3.068) 3.111 8.421 ( 6.637 0.000 -1.316) 6.766 9.037 ( -1.508 -0.000 1.763) 2.320 9.085 ( 1.717 0.000 8.945) 9.108 9.149 ( 5.024 0.000 0.820) 5.091 9.235 ( 2.185 0.000 2.722) 3.490 9.415 ( 4.101 0.000 5.028) 6.488 9.607 ( -10.652 -0.000 0.011) 10.652 9.706 ( -4.760 -0.000 1.620) 5.028 9.973 ( 4.032 0.000 3.264) 5.188 10.257 ( 0.135 0.000 -17.489) 17.489 10.325 ( -0.701 -0.000 -4.514) 4.568 10.514 ( 4.898 0.000 0.480) 4.921 11.045 ( -3.857 -0.000 -1.107) 4.012 11.091 ( -9.123 -0.000 -2.609) 9.488 11.296 ( 1.295 0.000 3.338) 3.581 11.354 ( 1.565 0.000 -2.737) 3.153 11.621 ( -0.572 -0.000 0.959) 1.117 11.665 ( 4.331 0.000 -0.390) 4.348 11.914 ( -4.761 -0.000 22.423) 22.923 12.098 ( 9.843 0.000 -0.855) 9.880 12.513 ( 1.238 0.000 -0.403) 1.302 12.551 ( 7.164 0.000 5.261) 8.889 12.570 ( 2.532 0.000 -6.703) 7.165 12.963 ( -1.625 -0.000 -2.335) 2.845 13.136 ( -1.102 -0.000 3.951) 4.102 13.286 ( 0.541 0.000 -8.791) 8.807 13.507 ( -2.475 -0.000 0.875) 2.625 13.640 ( -2.955 -0.000 -0.769) 3.054 13.669 ( -3.834 -0.000 -1.453) 4.100 14.603 ( 0.159 0.000 -2.269) 2.275 14.618 ( -1.229 -0.000 -1.012) 1.592 14.776 ( -2.155 -0.000 1.658) 2.719 15.070 ( -4.530 -0.000 1.801) 4.875 15.149 ( 3.142 0.000 2.398) 3.953 15.252 ( -0.159 -0.000 3.037) 3.041 16.086 ( -11.819 -0.000 -13.567) 17.993 16.342 ( 3.106 0.000 0.231) 3.114 16.652 ( 0.920 0.000 4.539) 4.631 16.688 ( -3.249 -0.000 2.222) 3.936 16.927 ( -1.155 -0.000 -0.617) 1.310 17.126 ( -3.223 -0.000 -0.778) 3.315 17.254 ( 5.155 0.000 4.782) 7.032 17.254 ( -1.193 -0.000 -0.608) 1.339 19.751 ( 7.202 0.000 0.838) 7.250 20.102 ( -0.885 -0.000 -3.823) 3.924 20.879 ( 1.049 0.000 0.049) 1.050 20.980 ( -0.080 -0.000 -0.009) 0.081 21.916 ( -6.956 -0.000 8.331) 10.853 22.311 ( 0.601 0.000 1.073) 1.230 23.191 ( 0.047 0.000 1.063) 1.064 23.517 ( -0.597 -0.000 -0.078) 0.602 26.965 ( 0.156 0.000 -0.126) 0.201 26.977 ( 0.009 0.000 -0.196) 0.196 29.388 ( 4.802 0.000 1.345) 4.987 29.436 ( 0.273 0.000 1.267) 1.297 30.691 ( -4.909 -0.000 -5.710) 7.530 30.827 ( -2.981 -0.000 -2.389) 3.820 30.888 ( -2.630 -0.000 -1.821) 3.200 31.453 ( -2.430 -0.000 -1.677) 2.953 31.625 ( -6.035 -0.000 -6.169) 8.630 31.948 ( 4.541 0.000 3.561) 5.771 32.010 ( -2.261 -0.000 3.714) 4.348 32.235 ( 0.835 0.000 9.189) 9.227 32.657 ( 0.453 0.000 2.111) 2.159 33.544 ( -1.950 -0.000 -1.811) 2.661 34.079 ( -1.561 -0.000 0.295) 1.589 34.838 ( 33.904 0.000 -46.637) 57.658 35.287 ( -0.087 -0.000 0.533) 0.540 35.404 ( 12.917 0.000 -18.282) 22.385 35.508 ( 0.750 0.000 -0.856) 1.138 36.070 ( -3.101 -0.000 -0.742) 3.188 36.110 ( -15.438 -0.000 18.673) 24.228 36.160 ( -24.038 -0.000 34.748) 42.252 36.432 ( -1.560 -0.000 -4.421) 4.688 38.473 ( 6.442 0.000 6.430) 9.102 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 23.643 -13.945 13.821) 30.733 1.292 ( 20.719 -25.656 11.872) 35.049 1.982 ( 39.202 -16.817 32.325) 53.521 2.498 ( -9.612 -6.888 5.973) 13.248 2.689 ( 0.669 6.177 -4.138) 7.465 2.855 ( 2.925 4.289 1.055) 5.298 3.002 ( 27.104 -4.705 4.842) 27.932 3.393 ( -1.261 4.368 6.180) 7.672 3.561 ( -1.633 1.759 5.280) 5.800 3.681 ( -2.346 -0.105 5.445) 5.930 3.793 ( -3.912 3.301 -4.505) 6.818 3.951 ( -1.777 -8.283 -9.734) 12.904 4.040 ( -2.890 -1.995 -0.736) 3.588 4.119 ( -2.539 -2.828 0.120) 3.802 4.352 ( 1.834 3.042 -4.341) 5.609 4.538 ( -4.345 2.090 -1.882) 5.176 4.615 ( -7.602 -0.585 -12.338) 14.504 4.861 ( -10.204 3.124 -4.232) 11.480 5.108 ( -7.009 -3.246 -11.018) 13.456 5.238 ( -10.942 -2.015 -10.109) 15.032 5.373 ( 1.346 -4.440 1.529) 4.885 5.540 ( -1.676 -5.853 1.722) 6.327 5.620 ( 2.080 -6.317 6.758) 9.481 5.834 ( -1.239 3.969 -2.551) 4.878 5.941 ( -3.306 4.045 6.632) 8.443 6.195 ( 1.093 3.764 4.619) 6.058 6.270 ( -2.519 0.484 7.062) 7.514 6.484 ( -7.913 -2.981 1.466) 8.582 6.700 ( 6.861 8.591 2.663) 11.312 6.853 ( 7.245 0.644 -0.446) 7.288 7.877 ( -4.090 2.105 -2.674) 5.321 7.956 ( 3.829 -1.067 -0.181) 3.979 8.237 ( 4.632 3.614 -0.029) 5.876 8.452 ( 2.878 -0.211 -2.197) 3.627 8.975 ( -2.620 4.676 0.708) 5.407 9.141 ( 1.899 -0.255 4.448) 4.843 9.185 ( 2.491 1.278 1.047) 2.989 9.339 ( 6.212 -3.408 4.140) 8.207 9.455 ( 1.792 1.614 5.545) 6.046 9.540 ( -9.911 -3.555 -1.026) 10.579 9.719 ( -2.456 -3.159 4.355) 5.914 9.974 ( -2.295 0.247 -11.544) 11.773 10.163 ( 8.625 3.549 4.586) 10.393 10.266 ( 0.557 4.185 -4.150) 5.920 10.519 ( 4.107 3.637 0.273) 5.493 10.919 ( 0.396 9.359 0.746) 9.397 11.026 ( -8.680 -1.412 -2.887) 9.256 11.301 ( 2.818 2.565 2.642) 4.637 11.349 ( 0.375 -1.240 -4.480) 4.663 11.639 ( 1.404 -1.684 4.765) 5.245 11.702 ( 3.414 0.387 -0.693) 3.505 11.955 ( 10.462 15.827 20.322) 27.801 12.013 ( 2.040 -1.950 -5.897) 6.537 12.441 ( 1.680 4.925 0.957) 5.291 12.531 ( 3.473 2.515 1.186) 4.448 12.668 ( -1.358 -0.726 -0.628) 1.663 12.903 ( -1.998 3.118 -2.869) 4.685 13.043 ( -6.204 9.914 0.639) 11.712 13.200 ( 5.279 -1.866 -2.351) 6.072 13.550 ( -2.239 -0.105 0.940) 2.431 13.585 ( -3.322 -3.445 -0.644) 4.829 13.691 ( -2.682 -3.467 -1.560) 4.653 14.565 ( 1.797 5.105 4.526) 7.055 14.607 ( 4.934 5.806 4.172) 8.687 14.740 ( -0.312 -12.217 -0.552) 12.234 15.110 ( -4.916 -4.787 -2.495) 7.301 15.333 ( -4.926 -8.936 -3.292) 10.722 15.445 ( -3.967 -15.849 -0.839) 16.360 15.899 ( -2.073 1.189 -8.622) 8.947 16.268 ( -0.189 10.171 5.342) 11.490 16.614 ( -2.295 5.643 -0.370) 6.103 16.825 ( -11.529 -9.451 -7.420) 16.652 16.966 ( -1.034 -4.788 -1.432) 5.104 17.146 ( -3.440 -4.861 -2.002) 6.283 17.327 ( -1.877 -8.211 -0.834) 8.464 17.348 ( 5.276 -2.385 3.133) 6.583 19.842 ( 8.493 -2.070 0.621) 8.763 20.111 ( -1.232 -4.781 -4.816) 6.898 20.778 ( 1.276 9.458 -0.211) 9.546 20.982 ( 0.222 2.400 -0.153) 2.415 21.970 ( -4.001 -6.874 5.642) 9.751 22.402 ( 0.551 -8.102 1.119) 8.197 23.091 ( -0.095 8.732 0.611) 8.754 23.492 ( -1.225 3.335 -0.415) 3.577 27.055 ( 0.468 -10.063 0.053) 10.074 27.349 ( -14.106 -32.846 -10.131) 37.155 29.294 ( 1.737 14.256 1.164) 14.408 29.366 ( 3.961 9.816 2.731) 10.932 30.712 ( -5.223 -9.879 -6.363) 12.859 30.785 ( -3.842 -0.356 -1.962) 4.329 30.886 ( -3.601 -3.744 -2.476) 5.754 31.369 ( 2.514 3.294 0.610) 4.189 31.596 ( -6.688 -2.958 -6.860) 10.027 31.874 ( 0.169 7.199 5.323) 8.954 31.974 ( 3.888 7.846 1.029) 8.817 32.391 ( 0.751 -9.034 7.574) 11.813 32.779 ( 1.049 -10.053 2.354) 10.378 33.492 ( -2.478 2.382 -2.455) 4.224 33.975 ( 19.143 29.213 -2.340) 35.005 34.089 ( 16.582 30.017 7.589) 35.122 35.303 ( 0.738 -1.100 -0.283) 1.354 35.403 ( 0.158 -1.356 -0.498) 1.453 35.513 ( 1.137 -0.956 -1.846) 2.369 36.052 ( 5.247 -0.020 -9.395) 10.760 36.160 ( -5.888 0.444 9.904) 11.530 36.335 ( -7.642 -0.165 -1.485) 7.786 36.630 ( -18.011 -28.920 -3.559) 34.255 38.508 ( 7.553 7.166 7.698) 12.948 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 18.008 -20.219 6.430) 27.829 1.858 ( 11.216 -19.208 1.122) 22.271 2.535 ( 9.120 0.552 6.093) 10.982 2.633 ( 10.010 -12.386 13.861) 21.113 2.675 ( 2.798 -5.272 -3.355) 6.847 2.958 ( 4.155 -5.129 3.328) 7.393 3.193 ( 6.176 -7.694 2.589) 10.201 3.480 ( 0.045 4.391 15.040) 15.668 3.575 ( 7.643 -3.062 4.748) 9.504 3.634 ( -2.232 5.188 -9.890) 11.389 3.723 ( -2.591 -1.815 6.892) 7.583 3.930 ( -6.068 4.886 -4.100) 8.804 4.012 ( 0.677 -2.097 -3.050) 3.763 4.169 ( 1.074 5.573 7.070) 9.066 4.284 ( -9.245 -1.940 -1.492) 9.563 4.454 ( -3.097 -0.036 -12.689) 13.061 4.481 ( -2.909 -0.599 -2.607) 3.952 4.729 ( -8.392 -1.568 -2.855) 9.002 5.042 ( -2.765 0.300 -6.744) 7.295 5.194 ( -4.295 -3.184 -1.350) 5.514 5.447 ( -1.641 -6.053 -4.385) 7.652 5.652 ( -1.412 -3.656 -1.805) 4.315 5.733 ( -2.400 3.373 -2.209) 4.692 5.785 ( 4.420 -1.698 7.625) 8.975 5.870 ( -3.440 4.487 4.036) 6.946 6.149 ( -1.285 -0.054 -1.433) 1.926 6.268 ( -0.792 1.080 3.855) 4.081 6.502 ( -4.017 -1.891 2.336) 5.017 6.572 ( 4.172 10.637 0.368) 11.432 6.832 ( 3.252 4.330 -2.307) 5.886 7.829 ( -1.896 -0.285 -0.829) 2.089 8.003 ( 1.925 -1.057 1.187) 2.497 8.227 ( 8.378 3.741 1.400) 9.281 8.431 ( -3.208 1.285 -3.014) 4.586 8.890 ( -1.011 1.036 -0.724) 1.619 9.138 ( -1.325 2.006 -4.308) 4.934 9.171 ( 1.388 0.903 3.036) 3.459 9.403 ( -2.517 -1.686 -1.674) 3.461 9.462 ( -2.027 2.673 0.808) 3.451 9.580 ( 2.753 -3.739 8.932) 10.067 9.797 ( 2.464 0.704 -3.323) 4.196 9.945 ( 0.315 -5.499 3.483) 6.517 10.114 ( 3.479 12.199 -0.859) 12.714 10.221 ( 0.183 -1.195 3.118) 3.344 10.469 ( 0.732 3.672 -0.862) 3.842 10.785 ( 3.950 7.820 3.080) 9.287 10.989 ( -3.204 -0.538 -1.841) 3.734 11.318 ( 3.098 -0.825 1.473) 3.528 11.351 ( 4.914 0.550 -3.996) 6.357 11.681 ( 3.144 3.463 -0.088) 4.678 11.732 ( -5.506 -4.764 4.139) 8.375 11.859 ( 11.524 9.557 11.490) 18.873 12.134 ( 0.334 -8.930 -0.652) 8.960 12.371 ( 0.554 3.309 -1.658) 3.742 12.478 ( 1.022 6.756 -0.140) 6.834 12.564 ( -6.132 5.176 -3.455) 8.737 12.795 ( -7.101 5.416 -1.233) 9.015 12.869 ( 0.919 4.807 -0.975) 4.991 13.262 ( 3.980 -1.092 -0.810) 4.206 13.548 ( -3.794 -0.324 -1.488) 4.088 13.668 ( 3.055 -5.864 6.219) 9.077 13.729 ( -5.747 -5.623 -2.704) 8.483 14.542 ( 8.903 9.164 6.685) 14.420 14.588 ( -2.367 -3.232 -4.076) 5.714 14.935 ( -2.155 -9.779 0.628) 10.034 15.176 ( -3.275 -5.494 -1.545) 6.580 15.393 ( -4.883 -6.867 -2.851) 8.895 15.598 ( -9.755 -9.695 -3.915) 14.300 15.929 ( 6.050 1.636 -0.050) 6.268 16.181 ( 6.611 -0.395 5.348) 8.512 16.469 ( -3.194 6.730 0.655) 7.478 16.799 ( -12.953 -3.684 -8.201) 15.767 17.026 ( 2.000 -3.240 -0.809) 3.893 17.206 ( -4.585 -5.989 -1.372) 7.666 17.411 ( 1.808 -1.941 -3.459) 4.359 17.440 ( 1.601 -2.658 3.290) 4.523 19.949 ( 7.094 -3.066 -0.193) 7.730 20.195 ( -1.421 -8.542 -4.550) 9.782 20.597 ( 0.783 11.519 0.186) 11.547 20.886 ( 0.098 7.803 0.266) 7.808 22.148 ( -2.259 -11.936 4.192) 12.850 22.588 ( 0.236 -11.167 0.327) 11.174 22.929 ( -0.705 8.996 0.194) 9.026 23.384 ( -0.350 7.543 0.022) 7.551 27.321 ( 1.802 -18.248 0.574) 18.345 27.696 ( -14.405 -25.753 -10.401) 31.288 28.963 ( -2.085 21.140 -1.696) 21.310 29.207 ( 8.931 15.737 6.239) 19.140 30.775 ( -3.284 -3.412 -2.026) 5.151 30.841 ( -4.071 -9.942 -4.117) 11.505 30.949 ( -4.071 -8.630 -1.844) 9.718 31.393 ( 3.287 -1.910 0.032) 3.801 31.530 ( -2.886 2.165 -3.920) 5.327 31.758 ( -0.049 8.714 0.921) 8.763 31.883 ( -1.915 2.949 1.885) 3.990 32.603 ( 2.215 -8.492 6.424) 10.876 33.008 ( 1.574 -12.202 2.094) 12.480 33.395 ( -2.818 4.756 -2.809) 6.201 33.577 ( 26.273 28.811 5.077) 39.321 33.916 ( -2.994 9.038 2.957) 9.969 35.331 ( 0.675 -1.479 -0.369) 1.667 35.437 ( -0.831 -2.403 0.788) 2.662 35.535 ( 0.952 -1.618 -1.827) 2.620 36.049 ( 4.849 -0.534 -6.795) 8.364 36.157 ( -4.885 0.793 7.961) 9.374 36.253 ( -4.175 2.099 -2.202) 5.166 36.924 ( -11.779 -21.934 -6.677) 25.777 38.417 ( 7.025 13.797 7.196) 17.074 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.233 -20.017 -3.411) 20.969 2.217 ( 6.285 -13.240 2.906) 14.941 2.651 ( -3.950 -1.478 -8.610) 9.587 2.720 ( 10.768 3.273 5.163) 12.382 2.794 ( -6.987 -0.834 3.924) 8.057 3.047 ( 8.817 -2.922 2.199) 9.545 3.272 ( -6.179 -1.764 -0.499) 6.445 3.404 ( -4.710 10.262 5.763) 12.677 3.554 ( -6.643 -1.728 0.860) 6.918 3.656 ( 5.428 4.802 -12.175) 14.169 3.738 ( -1.182 -0.887 4.946) 5.162 3.889 ( 3.298 -0.247 4.209) 5.353 3.984 ( 3.263 2.797 0.550) 4.332 4.120 ( -3.063 -1.938 3.786) 5.241 4.274 ( 0.772 -0.672 -2.204) 2.430 4.441 ( 6.957 -1.555 0.064) 7.129 4.516 ( -1.528 -0.304 8.992) 9.126 4.785 ( -0.785 -7.272 0.317) 7.321 5.007 ( -0.492 -0.774 -1.330) 1.616 5.295 ( -1.024 -9.907 3.673) 10.615 5.464 ( -0.469 3.598 -10.794) 11.388 5.586 ( -5.868 0.198 -4.176) 7.205 5.666 ( -5.048 1.138 -1.334) 5.344 5.733 ( 0.127 3.678 -0.383) 3.700 5.875 ( 4.916 2.242 5.564) 7.756 6.142 ( -0.247 -0.849 -4.734) 4.815 6.299 ( 1.011 1.529 5.028) 5.352 6.447 ( 0.307 3.308 0.204) 3.329 6.505 ( -0.974 -0.850 -0.223) 1.312 6.770 ( -0.574 2.116 0.012) 2.192 7.820 ( -1.455 -0.496 -1.456) 2.117 8.003 ( -4.587 1.441 -0.284) 4.816 8.209 ( 2.501 3.600 -2.449) 5.021 8.414 ( 4.656 -2.497 2.229) 5.735 8.928 ( 1.600 -3.381 1.108) 3.901 9.061 ( -2.787 1.658 -5.166) 6.099 9.167 ( 2.007 2.692 2.134) 3.979 9.400 ( -2.426 1.519 -0.101) 2.864 9.428 ( -1.510 -4.815 -1.885) 5.387 9.630 ( -1.044 3.880 -2.551) 4.759 9.784 ( 6.243 1.738 5.676) 8.615 9.899 ( 1.520 10.415 4.502) 11.448 10.140 ( -1.243 -7.411 1.741) 7.714 10.231 ( -3.972 -2.161 -0.574) 4.558 10.387 ( 2.111 5.640 0.249) 6.028 10.723 ( 4.877 6.168 2.564) 8.271 10.960 ( -0.984 1.046 -0.717) 1.605 11.348 ( 0.396 -1.639 -2.681) 3.167 11.378 ( 6.526 2.113 1.411) 7.003 11.623 ( 1.525 4.508 -1.291) 4.931 11.735 ( -2.218 1.495 3.865) 4.700 11.928 ( 4.128 -0.392 7.513) 8.581 12.263 ( -5.198 -3.602 -3.203) 7.089 12.330 ( -0.548 1.672 -2.907) 3.398 12.357 ( 1.074 -0.305 -0.210) 1.136 12.477 ( 1.235 -2.941 -3.018) 4.391 12.642 ( -4.321 4.823 1.421) 6.629 12.806 ( 1.710 6.547 1.484) 6.928 13.275 ( 2.178 0.900 -1.406) 2.744 13.535 ( -2.394 -1.914 0.292) 3.079 13.761 ( -8.162 -7.000 -5.584) 12.116 13.828 ( 2.255 -2.922 5.009) 6.222 14.426 ( 5.467 12.468 1.515) 13.698 14.612 ( -3.571 -5.649 -4.558) 8.089 15.075 ( -0.667 -6.441 2.086) 6.803 15.242 ( -1.140 -6.271 -0.785) 6.422 15.472 ( -2.466 -1.889 0.879) 3.228 15.596 ( -2.613 1.006 -0.858) 2.929 15.948 ( 3.367 -3.109 -0.105) 4.584 16.273 ( 2.978 4.185 0.702) 5.184 16.436 ( -1.339 -2.924 1.457) 3.530 16.724 ( -6.237 -4.891 -3.600) 8.705 17.107 ( 2.231 -4.165 -0.610) 4.764 17.259 ( -4.489 -3.852 0.397) 5.929 17.405 ( 2.234 1.491 -3.859) 4.702 17.492 ( 0.716 -0.366 2.662) 2.781 20.063 ( 4.264 -5.444 -1.002) 6.987 20.331 ( -2.249 -8.732 -0.899) 9.062 20.392 ( 1.005 10.373 -1.719) 10.563 20.736 ( -0.011 9.053 1.347) 9.153 22.384 ( -0.363 -12.879 3.154) 13.264 22.725 ( 1.067 4.750 -2.631) 5.534 22.830 ( -1.763 -7.126 1.847) 7.569 23.226 ( 0.182 10.122 0.126) 10.124 27.716 ( 2.811 -22.730 1.183) 22.934 27.959 ( -10.782 -21.150 -7.848) 25.004 28.527 ( -3.139 23.535 -2.417) 23.866 29.040 ( 11.815 16.032 8.639) 21.709 30.828 ( -2.882 -5.948 -1.430) 6.762 30.933 ( -2.455 -5.737 -3.075) 6.957 31.099 ( -2.158 -10.130 0.373) 10.365 31.410 ( 0.308 3.177 -1.436) 3.501 31.489 ( 2.228 -0.745 0.277) 2.366 31.600 ( 1.121 9.125 0.811) 9.230 31.831 ( -9.988 -2.190 -4.460) 11.155 32.780 ( 4.024 -3.737 6.027) 8.154 33.180 ( -0.870 2.846 2.319) 3.772 33.294 ( 4.899 -1.086 -1.737) 5.310 33.397 ( 10.566 8.778 0.554) 13.747 33.726 ( -4.281 10.112 1.697) 11.111 35.355 ( 0.154 -0.897 -0.308) 0.961 35.476 ( -0.452 -1.871 0.429) 1.972 35.559 ( 0.227 -1.323 -1.056) 1.708 36.067 ( 3.242 -0.863 -3.833) 5.094 36.145 ( -3.458 1.065 5.015) 6.184 36.195 ( -0.666 0.641 -0.807) 1.227 37.183 ( -7.425 -19.507 -5.808) 21.665 38.224 ( 5.320 16.396 5.362) 18.052 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -16.901 16.109 -6.778) 24.313 2.265 ( -8.597 14.139 -8.195) 18.465 2.654 ( 3.437 9.312 3.053) 10.385 2.731 ( -1.687 -2.204 2.823) 3.959 2.838 ( 3.453 -18.468 0.167) 18.788 3.089 ( -0.345 6.143 -4.554) 7.655 3.232 ( 4.987 3.499 1.935) 6.392 3.456 ( -4.524 4.403 -7.095) 9.497 3.511 ( 2.438 -8.035 12.098) 14.727 3.528 ( -4.445 -3.595 2.253) 6.144 3.742 ( -5.396 3.351 -5.675) 8.517 3.890 ( 2.004 7.645 3.204) 8.528 3.917 ( 9.414 4.397 -0.189) 10.392 4.107 ( -3.106 -1.887 -4.258) 5.598 4.346 ( 4.223 -1.234 -0.050) 4.400 4.476 ( -6.674 0.108 -0.556) 6.698 4.659 ( 14.554 -2.801 13.082) 19.768 4.876 ( 5.028 -2.328 -0.635) 5.577 5.038 ( -1.612 -1.969 2.563) 3.612 5.243 ( -0.631 0.333 -11.261) 11.283 5.506 ( -2.856 -0.616 -1.127) 3.131 5.601 ( -0.247 -10.586 1.953) 10.767 5.642 ( -2.603 -2.231 -0.186) 3.433 5.730 ( -0.769 -1.604 -1.092) 2.088 5.889 ( 6.574 3.365 5.118) 8.985 6.161 ( 2.741 -3.627 -5.143) 6.864 6.200 ( -4.589 7.636 1.677) 9.065 6.402 ( -2.978 2.435 1.209) 4.032 6.594 ( 5.287 -5.005 0.620) 7.307 6.750 ( -2.966 -0.280 2.506) 3.893 7.817 ( -0.522 -0.996 0.888) 1.433 7.911 ( -7.603 1.294 -2.707) 8.173 8.152 ( -0.912 0.889 -3.732) 3.944 8.535 ( 7.349 -0.175 3.126) 7.988 8.969 ( -0.075 1.779 0.979) 2.032 9.041 ( -0.329 -4.580 -0.588) 4.630 9.136 ( 3.488 3.210 0.517) 4.768 9.375 ( -2.180 -0.667 -0.314) 2.301 9.461 ( -4.131 1.726 -4.556) 6.388 9.557 ( -0.639 -3.049 -1.601) 3.503 9.805 ( 5.637 4.109 4.001) 8.042 9.841 ( 2.224 1.497 8.874) 9.270 10.146 ( -4.499 -0.637 -6.927) 8.285 10.254 ( -3.380 0.204 1.734) 3.805 10.366 ( 2.063 -1.000 0.833) 2.439 10.638 ( 1.925 5.935 -1.259) 6.365 10.943 ( -0.776 -0.884 -0.581) 1.312 11.351 ( -0.006 2.215 0.819) 2.361 11.371 ( 2.653 1.694 0.695) 3.223 11.540 ( -0.722 3.197 -2.243) 3.972 11.710 ( -0.182 2.547 2.332) 3.458 11.928 ( -0.617 4.116 -1.519) 4.431 12.236 ( -2.929 -3.347 -1.162) 4.597 12.275 ( -2.242 -0.124 -1.799) 2.877 12.497 ( 6.728 -7.562 -0.198) 10.124 12.597 ( -2.953 -0.050 3.800) 4.813 12.629 ( 1.934 2.710 1.774) 3.772 12.666 ( 3.194 -2.074 0.735) 3.879 13.267 ( 0.824 1.185 -0.614) 1.568 13.574 ( -0.546 -2.851 1.816) 3.424 13.786 ( 0.710 3.073 -1.184) 3.369 13.818 ( -10.033 -5.472 -7.912) 13.900 14.251 ( 1.541 9.878 0.871) 10.036 14.675 ( -2.308 -3.582 -0.899) 4.355 15.151 ( 0.829 0.214 1.298) 1.555 15.363 ( -0.416 -4.202 2.950) 5.151 15.454 ( 1.966 -4.964 -3.639) 6.462 15.588 ( 3.441 2.423 3.776) 5.654 16.038 ( -0.229 -2.562 -1.641) 3.051 16.192 ( 1.215 6.363 1.318) 6.610 16.330 ( -9.208 3.501 -4.842) 10.977 16.919 ( 6.494 -11.102 4.680) 13.687 17.185 ( 2.585 -2.140 -1.197) 3.563 17.272 ( -2.335 -0.129 2.322) 3.296 17.367 ( -1.239 0.140 -4.439) 4.611 17.499 ( 0.496 1.512 2.607) 3.055 20.169 ( -1.278 10.320 1.203) 10.468 20.207 ( 1.568 -7.332 -1.253) 7.602 20.511 ( 0.351 -9.942 -1.741) 10.099 20.590 ( -0.313 7.604 1.958) 7.858 22.538 ( 0.244 9.814 -0.664) 9.840 22.639 ( 1.483 -10.699 1.240) 10.873 23.010 ( 0.460 -1.678 -0.214) 1.753 23.038 ( -1.033 2.034 0.182) 2.289 28.033 ( -1.028 17.116 0.553) 17.155 28.188 ( 0.540 -16.410 -1.838) 16.521 28.224 ( -5.618 -19.857 -4.154) 21.050 28.931 ( 12.960 12.645 10.230) 20.797 30.897 ( -3.522 -3.595 -1.016) 5.134 30.986 ( 1.329 -2.747 -0.585) 3.107 31.234 ( 0.203 -2.124 0.617) 2.221 31.335 ( -0.133 2.423 0.885) 2.582 31.482 ( -0.293 4.305 -0.123) 4.316 31.525 ( 2.002 -0.580 0.389) 2.121 31.759 ( -13.281 -5.114 -9.616) 17.176 32.804 ( 4.759 9.200 4.063) 11.126 33.055 ( -1.850 6.256 -0.412) 6.537 33.300 ( 4.001 0.910 -0.782) 4.177 33.426 ( -0.413 6.431 1.444) 6.604 33.607 ( -1.028 -6.023 -0.580) 6.138 35.359 ( -0.342 0.298 -0.243) 0.514 35.494 ( 0.131 -0.095 -0.194) 0.253 35.569 ( -0.419 -0.246 -0.044) 0.488 36.069 ( -1.302 0.293 1.238) 1.820 36.132 ( 0.978 0.419 -1.459) 1.806 36.223 ( 1.759 -2.670 1.572) 3.563 37.421 ( -2.796 -12.901 -2.784) 13.491 38.015 ( 2.407 10.993 2.237) 11.473 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -15.165 24.074 -5.516) 28.982 1.742 ( -10.504 26.561 -8.311) 29.747 2.472 ( -2.466 4.883 -0.592) 5.502 2.761 ( 4.703 13.637 10.699) 17.960 2.917 ( -1.927 3.707 2.340) 4.789 3.000 ( 7.004 25.017 -0.900) 25.995 3.153 ( -5.054 11.960 -8.138) 15.323 3.279 ( -3.519 2.911 -4.662) 6.526 3.365 ( -6.405 -5.334 -2.327) 8.654 3.687 ( -3.283 -5.258 -0.323) 6.207 3.745 ( 1.927 -0.775 1.249) 2.424 3.899 ( 6.894 -0.677 3.920) 7.960 3.960 ( 2.877 -6.948 -0.433) 7.533 4.116 ( 1.131 -3.135 -3.301) 4.691 4.248 ( -5.012 3.246 -4.036) 7.208 4.594 ( 4.750 -10.474 3.510) 12.025 4.842 ( 6.895 0.816 5.374) 8.780 5.009 ( 1.679 -8.118 1.653) 8.453 5.107 ( 3.309 -6.484 7.046) 10.131 5.321 ( 3.843 -6.163 2.185) 7.584 5.497 ( -0.303 -4.933 -7.076) 8.632 5.615 ( -3.171 1.642 -5.429) 6.498 5.702 ( 1.731 4.926 -1.400) 5.406 5.748 ( -4.089 -3.322 1.711) 5.539 5.937 ( 3.399 -0.433 5.211) 6.237 6.038 ( -4.485 3.991 -1.700) 6.240 6.222 ( 5.859 2.563 -0.568) 6.420 6.349 ( -6.226 -2.550 -0.321) 6.736 6.689 ( 6.559 -0.153 -2.543) 7.036 6.764 ( -3.901 -2.107 4.606) 6.393 7.821 ( -5.491 1.350 -2.479) 6.174 7.877 ( 1.900 -3.354 3.500) 5.207 8.134 ( -0.932 -2.038 -2.903) 3.667 8.524 ( 1.095 4.631 1.549) 5.004 8.927 ( -0.803 3.010 -2.837) 4.213 9.087 ( 0.176 -0.682 -0.913) 1.153 9.181 ( 5.809 -1.993 4.919) 7.868 9.358 ( -7.233 0.632 -2.747) 7.763 9.373 ( -1.008 0.387 -2.161) 2.415 9.585 ( 0.858 -1.175 0.251) 1.476 9.801 ( 1.722 1.890 1.650) 3.043 9.972 ( 2.817 -4.581 6.726) 8.612 10.082 ( 2.599 0.873 -1.100) 2.954 10.192 ( -3.778 4.788 -1.467) 6.273 10.348 ( -3.368 0.224 -4.931) 5.976 10.630 ( 0.327 -5.649 0.473) 5.678 10.982 ( -0.664 -4.414 -0.508) 4.493 11.299 ( 0.605 3.486 1.849) 3.993 11.384 ( 0.957 -1.251 0.863) 1.796 11.483 ( -0.864 1.397 -2.601) 3.076 11.667 ( -0.820 2.565 0.822) 2.815 11.815 ( -0.197 4.952 -3.359) 5.987 12.274 ( -1.875 -1.856 -0.692) 2.727 12.307 ( 2.263 -2.870 -0.919) 3.768 12.379 ( -3.470 12.409 1.795) 13.009 12.673 ( 3.347 -7.781 -1.875) 8.676 12.690 ( 0.006 -4.321 4.152) 5.992 12.884 ( 3.866 -9.829 1.293) 10.640 13.231 ( -0.694 2.238 0.347) 2.369 13.587 ( -0.594 4.610 -1.895) 5.019 13.678 ( 1.050 2.297 3.002) 3.923 13.880 ( -3.796 -9.311 -6.490) 11.968 14.103 ( -2.605 6.745 -0.876) 7.284 14.657 ( -1.608 2.421 -0.504) 2.950 15.057 ( -0.951 8.414 -0.950) 8.520 15.488 ( 7.194 -0.375 5.539) 9.087 15.551 ( 1.357 -2.009 2.506) 3.486 15.669 ( 2.381 -9.573 -2.341) 10.138 15.896 ( -6.862 9.219 -3.768) 12.094 16.057 ( -0.974 8.647 0.388) 8.710 16.340 ( -0.768 -8.721 -0.910) 8.802 17.144 ( 2.864 -0.173 4.971) 5.740 17.188 ( 7.635 0.378 0.656) 7.673 17.291 ( -1.858 -2.783 -0.857) 3.455 17.332 ( -2.955 -0.402 -3.501) 4.599 17.491 ( -0.139 0.238 3.185) 3.197 19.973 ( -1.533 9.596 0.467) 9.729 20.378 ( 1.273 -10.269 -1.699) 10.486 20.442 ( -0.511 8.432 2.856) 8.917 20.708 ( -0.131 -10.763 -0.449) 10.773 22.318 ( 0.053 12.701 -1.908) 12.844 22.796 ( -0.390 12.915 0.087) 12.921 22.865 ( 2.362 -10.297 1.219) 10.634 23.229 ( 0.131 -11.238 0.270) 11.242 27.630 ( -0.892 21.366 -0.268) 21.386 28.489 ( 1.240 -17.101 -1.172) 17.186 28.618 ( 1.895 -21.849 0.474) 21.937 28.906 ( 8.663 5.960 9.219) 13.984 30.851 ( -4.016 4.603 -1.449) 6.278 31.044 ( 3.328 0.152 1.420) 3.621 31.143 ( -0.144 7.963 0.636) 7.990 31.263 ( -5.593 5.946 -4.805) 9.472 31.518 ( 1.653 -6.286 1.778) 6.738 31.567 ( 0.310 -4.751 0.102) 4.763 31.732 ( -8.000 -6.165 -7.035) 12.309 32.631 ( 1.917 12.243 0.508) 12.403 32.898 ( -4.719 8.218 -1.287) 9.563 33.206 ( -0.135 12.874 -0.175) 12.876 33.386 ( 0.307 -5.164 0.939) 5.258 33.782 ( 0.877 -10.211 -0.468) 10.259 35.340 ( -0.386 1.224 -0.113) 1.288 35.479 ( 0.246 1.705 -0.307) 1.750 35.561 ( -0.393 0.899 0.365) 1.047 36.068 ( -2.184 -0.187 3.710) 4.309 36.125 ( 2.206 0.024 -3.884) 4.466 36.310 ( 1.678 -4.119 1.327) 4.641 37.484 ( 2.641 6.267 1.677) 7.004 37.986 ( -1.591 -8.057 -1.702) 8.387 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 26.199 -0.000) 26.199 1.140 ( 0.000 31.779 -0.000) 31.779 2.145 ( 0.000 54.583 -0.000) 54.583 2.479 ( -0.000 -3.877 0.000) 3.877 2.695 ( 0.000 0.389 -0.000) 0.389 2.748 ( 0.000 10.371 -0.000) 10.371 2.938 ( 0.000 18.655 -0.000) 18.655 3.221 ( -0.000 -9.287 0.000) 9.287 3.479 ( -0.000 -1.699 0.000) 1.699 3.697 ( 0.000 2.453 -0.000) 2.453 3.794 ( -0.000 -8.133 0.000) 8.133 4.034 ( -0.000 -2.010 0.000) 2.010 4.064 ( -0.000 -4.453 0.000) 4.453 4.170 ( 0.000 1.692 -0.000) 1.692 4.221 ( -0.000 -8.782 0.000) 8.782 4.767 ( 0.000 9.744 -0.000) 9.744 4.790 ( -0.000 -5.710 0.000) 5.710 5.233 ( -0.000 -14.154 0.000) 14.154 5.365 ( -0.000 -12.246 0.000) 12.246 5.373 ( 0.000 11.379 -0.000) 11.379 5.472 ( 0.000 5.755 -0.000) 5.755 5.559 ( 0.000 1.581 -0.000) 1.581 5.633 ( -0.000 -9.686 0.000) 9.686 5.781 ( -0.000 -3.035 0.000) 3.035 5.976 ( -0.000 -0.801 0.000) 0.801 6.024 ( -0.000 -1.547 0.000) 1.547 6.092 ( 0.000 9.442 -0.000) 9.442 6.420 ( -0.000 -5.502 0.000) 5.502 6.699 ( 0.000 0.427 -0.000) 0.427 6.771 ( 0.000 1.646 -0.000) 1.646 7.767 ( 0.000 0.963 -0.000) 0.963 7.985 ( -0.000 -6.505 0.000) 6.505 8.171 ( -0.000 -2.766 0.000) 2.766 8.459 ( 0.000 3.542 -0.000) 3.542 8.846 ( 0.000 2.522 -0.000) 2.522 9.089 ( -0.000 -0.078 0.000) 0.078 9.250 ( 0.000 5.936 -0.000) 5.936 9.277 ( -0.000 -1.617 0.000) 1.617 9.342 ( 0.000 1.230 -0.000) 1.230 9.648 ( -0.000 -4.525 0.000) 4.525 9.789 ( 0.000 0.992 -0.000) 0.992 9.899 ( 0.000 8.613 -0.000) 8.613 10.054 ( 0.000 5.424 -0.000) 5.424 10.259 ( -0.000 -10.812 0.000) 10.812 10.338 ( -0.000 -2.150 0.000) 2.150 10.787 ( -0.000 -10.085 0.000) 10.085 11.085 ( -0.000 -7.326 0.000) 7.326 11.272 ( 0.000 0.669 -0.000) 0.669 11.428 ( -0.000 -1.583 0.000) 1.583 11.444 ( 0.000 1.170 -0.000) 1.170 11.630 ( 0.000 1.028 -0.000) 1.028 11.727 ( 0.000 4.254 -0.000) 4.254 12.131 ( 0.000 9.797 -0.000) 9.797 12.295 ( -0.000 -1.502 0.000) 1.502 12.414 ( -0.000 -5.004 0.000) 5.004 12.711 ( 0.000 2.946 -0.000) 2.946 12.825 ( -0.000 -8.033 0.000) 8.033 13.046 ( -0.000 -5.592 0.000) 5.592 13.201 ( 0.000 1.702 -0.000) 1.702 13.512 ( 0.000 0.003 -0.000) 0.003 13.664 ( 0.000 2.238 -0.000) 2.238 13.946 ( 0.000 7.868 -0.000) 7.868 14.032 ( -0.000 -9.882 0.000) 9.882 14.605 ( 0.000 1.768 -0.000) 1.768 14.891 ( 0.000 8.902 -0.000) 8.902 15.439 ( 0.000 8.301 -0.000) 8.301 15.466 ( 0.000 13.232 -0.000) 13.232 15.727 ( 0.000 8.993 -0.000) 8.993 15.866 ( -0.000 -12.110 0.000) 12.110 16.036 ( -0.000 -8.570 0.000) 8.570 16.506 ( -0.000 -9.355 0.000) 9.355 17.067 ( 0.000 6.179 -0.000) 6.179 17.243 ( 0.000 0.892 -0.000) 0.892 17.291 ( 0.000 1.391 -0.000) 1.391 17.293 ( 0.000 3.327 -0.000) 3.327 17.569 ( -0.000 -6.506 0.000) 6.506 19.822 ( 0.000 6.487 -0.000) 6.487 20.299 ( 0.000 7.907 -0.000) 7.907 20.572 ( -0.000 -11.026 0.000) 11.026 20.881 ( -0.000 -8.271 0.000) 8.271 22.090 ( 0.000 11.553 -0.000) 11.553 22.566 ( 0.000 12.112 -0.000) 12.112 23.044 ( -0.000 -7.671 0.000) 7.671 23.418 ( -0.000 -9.387 0.000) 9.387 27.285 ( 0.000 16.580 -0.000) 16.580 28.836 ( -0.000 -19.040 0.000) 19.040 28.882 ( 0.000 3.841 -0.000) 3.841 29.011 ( -0.000 -19.940 0.000) 19.940 30.662 ( 0.000 11.667 -0.000) 11.667 31.006 ( 0.000 7.183 -0.000) 7.183 31.009 ( 0.000 6.125 -0.000) 6.125 31.089 ( 0.000 6.753 -0.000) 6.753 31.650 ( -0.000 -7.931 0.000) 7.931 31.729 ( -0.000 -11.056 0.000) 11.056 31.752 ( -0.000 -1.426 0.000) 1.426 32.458 ( 0.000 6.986 -0.000) 6.986 32.697 ( 0.000 10.290 -0.000) 10.290 32.968 ( 0.000 13.204 -0.000) 13.204 33.485 ( -0.000 -4.822 0.000) 4.822 33.946 ( -0.000 -7.692 0.000) 7.692 35.313 ( 0.000 1.401 -0.000) 1.401 35.441 ( 0.000 2.303 -0.000) 2.303 35.539 ( 0.000 1.401 -0.000) 1.401 36.079 ( -0.000 -0.575 0.000) 0.575 36.124 ( -0.000 -0.283 0.000) 0.283 36.394 ( -0.000 -3.840 0.000) 3.840 37.338 ( 0.000 10.071 -0.000) 10.071 38.171 ( -0.000 -11.698 0.000) 11.698 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 25.373 0.000 23.568) 34.630 1.299 ( 25.322 0.000 16.133) 30.024 2.311 ( 16.280 0.000 12.859) 20.746 2.399 ( 12.706 0.000 20.723) 24.308 2.760 ( -0.787 -0.000 -0.323) 0.850 2.934 ( 0.300 0.000 1.397) 1.429 3.218 ( 25.508 0.000 0.965) 25.526 3.423 ( -8.608 -0.000 3.063) 9.136 3.564 ( 2.485 0.000 -9.357) 9.681 3.679 ( 0.504 0.000 -3.523) 3.559 3.723 ( -2.883 -0.000 5.835) 6.509 3.866 ( -3.728 -0.000 4.159) 5.585 3.992 ( -0.229 -0.000 0.709) 0.745 4.019 ( -5.115 -0.000 -4.868) 7.061 4.342 ( 1.671 0.000 -11.363) 11.485 4.480 ( -9.460 -0.000 -6.123) 11.268 4.506 ( -12.995 -0.000 -8.824) 15.708 4.856 ( -3.495 -0.000 -1.245) 3.710 5.007 ( -1.937 -0.000 -1.326) 2.348 5.049 ( -6.840 -0.000 -11.101) 13.039 5.374 ( 1.785 0.000 5.489) 5.772 5.477 ( -4.487 -0.000 -0.255) 4.494 5.645 ( 8.122 0.000 14.094) 16.267 5.837 ( -1.320 -0.000 -4.924) 5.098 5.989 ( -4.125 -0.000 6.097) 7.361 6.176 ( -10.553 -0.000 -7.097) 12.718 6.298 ( -2.965 -0.000 7.981) 8.514 6.442 ( -1.516 -0.000 6.392) 6.569 6.864 ( 7.461 0.000 0.526) 7.479 6.913 ( 6.272 0.000 1.602) 6.473 7.840 ( -4.529 -0.000 -3.454) 5.696 7.974 ( 3.668 0.000 1.702) 4.044 8.326 ( 7.109 0.000 2.241) 7.453 8.447 ( 1.191 0.000 -4.087) 4.257 9.013 ( -3.529 -0.000 0.826) 3.624 9.188 ( 0.971 0.000 3.994) 4.110 9.260 ( 6.516 0.000 1.693) 6.732 9.331 ( -18.931 -0.000 -5.480) 19.708 9.394 ( 7.819 0.000 6.591) 10.226 9.530 ( 2.575 0.000 3.845) 4.628 9.699 ( -0.369 -0.000 6.837) 6.847 9.907 ( 0.767 0.000 -7.238) 7.278 10.249 ( 0.008 0.000 -6.681) 6.681 10.279 ( 6.429 0.000 1.868) 6.695 10.599 ( 5.391 0.000 -0.120) 5.392 10.935 ( -7.146 -0.000 0.001) 7.146 11.028 ( 0.745 0.000 1.369) 1.559 11.295 ( -2.095 -0.000 -4.490) 4.955 11.361 ( 1.680 0.000 4.299) 4.615 11.652 ( 1.190 0.000 2.549) 2.813 11.753 ( 5.544 0.000 1.483) 5.739 11.948 ( -0.072 -0.000 -4.006) 4.006 12.369 ( 9.930 0.000 12.560) 16.011 12.483 ( -4.044 -0.000 -4.397) 5.974 12.518 ( -3.466 -0.000 -0.835) 3.565 12.683 ( 3.228 0.000 1.243) 3.459 12.939 ( 1.460 0.000 -0.608) 1.581 13.121 ( -8.460 -0.000 4.597) 9.628 13.221 ( 5.528 0.000 -7.805) 9.565 13.437 ( -3.785 -0.000 -0.448) 3.812 13.577 ( -4.880 -0.000 -2.305) 5.397 13.649 ( 1.796 0.000 3.102) 3.585 14.568 ( -0.385 -0.000 -3.794) 3.813 14.572 ( -2.109 -0.000 -2.037) 2.933 14.752 ( -4.200 -0.000 1.812) 4.574 15.033 ( -1.105 -0.000 -0.296) 1.144 15.100 ( -12.528 -0.000 -4.828) 13.426 15.276 ( -0.482 -0.000 1.918) 1.977 15.823 ( 0.113 0.000 -8.155) 8.156 16.402 ( 4.242 0.000 -0.017) 4.242 16.664 ( -4.194 -0.000 3.839) 5.686 16.671 ( -3.438 -0.000 2.017) 3.986 16.913 ( 0.592 0.000 -1.246) 1.379 17.055 ( -3.598 -0.000 -1.503) 3.899 17.224 ( -1.578 -0.000 -0.588) 1.684 17.396 ( 5.788 0.000 4.277) 7.197 19.909 ( 10.590 0.000 1.621) 10.713 20.029 ( -1.285 -0.000 -5.493) 5.642 20.901 ( 1.520 0.000 0.104) 1.523 20.979 ( 0.355 0.000 -0.520) 0.630 21.901 ( -3.692 -0.000 3.846) 5.331 22.338 ( 0.849 0.000 1.539) 1.758 23.205 ( -0.114 -0.000 1.295) 1.300 23.510 ( -0.330 -0.000 0.249) 0.414 26.967 ( 0.219 0.000 -0.177) 0.282 26.975 ( 0.030 0.000 -0.287) 0.289 29.454 ( 0.064 0.000 0.845) 0.848 29.509 ( 6.018 0.000 4.569) 7.556 30.507 ( -7.997 -0.000 -7.599) 11.032 30.735 ( -4.547 -0.000 -2.798) 5.338 30.801 ( -4.804 -0.000 -3.149) 5.745 31.407 ( -1.030 -0.000 -1.601) 1.904 31.455 ( -5.381 -0.000 -6.756) 8.637 32.018 ( -0.470 -0.000 1.387) 1.464 32.067 ( 5.131 0.000 3.509) 6.216 32.349 ( 2.033 0.000 6.272) 6.593 32.697 ( 0.523 0.000 3.333) 3.374 33.476 ( -3.056 -0.000 -2.922) 4.228 34.051 ( -2.247 -0.000 0.187) 2.255 34.837 ( 14.186 0.000 -19.544) 24.150 35.289 ( -0.467 -0.000 0.497) 0.682 35.395 ( 5.022 0.000 -7.872) 9.338 35.512 ( 1.077 0.000 -0.960) 1.443 36.007 ( -3.464 -0.000 -0.488) 3.498 36.082 ( -6.873 -0.000 7.113) 9.891 36.177 ( -10.401 -0.000 15.492) 18.660 36.340 ( -2.239 -0.000 -5.987) 6.392 38.686 ( 8.772 0.000 8.638) 12.311 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 19.172 -4.551 12.598) 23.388 1.756 ( 19.283 -10.815 11.846) 25.083 2.379 ( -8.480 -9.812 3.895) 13.541 2.636 ( 1.027 3.878 -3.418) 5.270 2.861 ( 26.962 -3.424 20.786) 34.216 2.920 ( 0.579 -0.317 4.774) 4.820 3.231 ( 5.007 5.693 -5.913) 9.615 3.538 ( 2.662 -8.373 -2.690) 9.189 3.563 ( -1.304 -6.004 0.086) 6.144 3.678 ( -3.472 1.370 -3.973) 5.451 3.777 ( 0.212 7.145 11.637) 13.657 3.845 ( 5.778 -4.281 -3.469) 7.984 3.948 ( -8.915 0.293 0.035) 8.920 4.082 ( -4.265 -5.838 2.126) 7.536 4.268 ( -7.098 -2.585 -14.082) 15.980 4.336 ( -2.738 1.534 -4.687) 5.641 4.403 ( -6.838 -2.292 0.057) 7.212 4.768 ( 1.760 6.313 0.924) 6.618 4.948 ( -0.574 -1.921 -7.505) 7.769 5.084 ( -3.957 -4.308 -0.039) 5.850 5.389 ( 1.824 0.361 0.663) 1.974 5.539 ( -2.513 -5.646 1.763) 6.426 5.767 ( 1.166 2.227 -3.489) 4.300 5.829 ( 4.910 -3.090 8.686) 10.445 5.952 ( -3.355 4.313 5.928) 8.062 6.046 ( -11.023 -2.094 -7.201) 13.332 6.289 ( -4.150 1.540 2.641) 5.154 6.488 ( 0.292 -1.162 5.542) 5.670 6.819 ( 5.193 10.196 1.087) 11.493 6.923 ( 2.951 3.615 -2.208) 5.163 7.810 ( -0.803 0.082 0.089) 0.812 8.026 ( 4.180 -0.656 3.690) 5.615 8.348 ( 5.475 3.169 -1.051) 6.413 8.426 ( -1.480 1.263 -2.999) 3.575 8.913 ( -5.104 4.257 -1.230) 6.760 9.143 ( -8.326 0.749 -6.109) 10.354 9.180 ( -1.971 1.593 1.929) 3.185 9.341 ( 0.786 -1.715 -1.325) 2.305 9.524 ( 2.802 1.761 3.242) 4.633 9.564 ( 3.992 -3.479 7.403) 9.102 9.791 ( 0.995 -3.278 6.079) 6.977 9.908 ( 4.025 -1.291 -1.148) 4.380 10.200 ( 3.525 2.182 -3.976) 5.744 10.340 ( 4.876 0.922 2.200) 5.429 10.555 ( -0.006 7.205 0.531) 7.225 10.925 ( -0.754 -2.606 0.677) 2.796 10.981 ( 2.665 6.821 3.382) 8.066 11.266 ( -1.950 -1.250 -3.832) 4.478 11.418 ( 5.007 -1.300 3.084) 6.022 11.673 ( -1.584 -0.041 3.756) 4.076 11.778 ( 4.697 2.732 1.882) 5.750 11.967 ( 1.201 -5.076 -6.081) 8.011 12.283 ( 6.996 12.643 6.076) 15.675 12.439 ( 0.627 6.724 4.086) 7.893 12.485 ( -10.447 -0.794 -3.560) 11.065 12.635 ( 0.599 5.095 -1.740) 5.417 12.866 ( -0.813 7.061 -1.057) 7.185 12.959 ( -4.249 9.070 -2.627) 10.355 13.252 ( 4.532 -2.379 -1.770) 5.416 13.435 ( -7.035 -3.972 -1.418) 8.202 13.608 ( 1.375 -3.610 3.953) 5.527 13.692 ( 2.787 -1.305 0.689) 3.154 14.508 ( -5.340 1.275 -4.631) 7.183 14.695 ( -3.158 -13.226 -2.839) 13.891 14.756 ( 1.719 3.108 6.559) 7.459 14.970 ( -6.051 -11.236 -4.169) 13.426 15.238 ( -11.911 -14.908 -5.682) 19.909 15.268 ( -1.590 -0.696 -0.980) 1.993 15.909 ( 8.902 -7.721 -1.484) 11.877 16.346 ( 2.374 8.448 4.339) 9.790 16.575 ( -3.498 7.067 1.186) 7.974 16.635 ( -6.677 -0.306 -3.268) 7.441 16.969 ( 1.129 -4.625 -0.984) 4.862 17.070 ( -2.740 -4.305 -1.727) 5.387 17.290 ( -1.576 -7.330 -0.639) 7.525 17.465 ( 4.211 -0.490 3.154) 5.284 19.994 ( 8.908 0.239 1.059) 8.974 20.035 ( -1.058 -4.966 -4.856) 7.025 20.796 ( 1.061 9.659 0.057) 9.717 20.985 ( 0.388 2.422 -0.294) 2.471 21.964 ( -2.663 -7.688 2.918) 8.643 22.425 ( 0.644 -7.431 1.164) 7.549 23.111 ( 0.459 9.471 1.420) 9.588 23.482 ( -0.141 3.501 0.306) 3.517 27.066 ( 0.707 -11.083 0.122) 11.106 27.164 ( -3.894 -18.903 -3.205) 19.564 29.284 ( -1.365 16.550 -1.285) 16.656 29.516 ( 6.882 7.783 5.694) 11.847 30.548 ( -6.457 -13.363 -4.844) 15.612 30.695 ( -3.828 -1.326 -2.428) 4.723 30.781 ( -5.281 -4.113 -3.344) 7.482 31.375 ( 0.025 -0.779 -2.777) 2.885 31.442 ( -3.637 -3.426 -4.059) 6.437 31.913 ( 0.192 8.873 1.882) 9.072 32.049 ( 2.856 8.533 2.064) 9.232 32.483 ( 1.501 -8.735 4.919) 10.137 32.827 ( 1.205 -10.228 2.756) 10.661 33.415 ( -3.062 2.324 -2.953) 4.847 33.986 ( -1.341 5.612 -0.752) 5.819 34.433 ( 14.615 34.677 -1.307) 37.654 35.304 ( 0.028 -1.459 -0.647) 1.597 35.399 ( 0.224 -1.373 -0.757) 1.584 35.510 ( 0.933 -0.532 -1.427) 1.786 36.039 ( 5.203 -0.807 -6.924) 8.699 36.176 ( -3.168 0.271 5.349) 6.222 36.212 ( -9.066 -4.319 4.370) 10.952 36.397 ( -8.694 -19.216 -3.867) 21.443 38.720 ( 7.507 8.534 7.436) 13.582 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 7.674 -10.103 1.431) 12.768 2.062 ( 8.328 -10.922 1.933) 13.870 2.532 ( -8.083 -6.353 -1.319) 10.365 2.693 ( 11.625 -5.260 1.889) 12.899 3.019 ( 3.089 6.491 3.560) 8.022 3.046 ( 5.601 -3.769 9.824) 11.920 3.197 ( -4.187 -1.407 1.080) 4.547 3.477 ( -4.740 4.173 -7.607) 9.887 3.533 ( -2.672 3.003 6.307) 7.479 3.698 ( 0.018 4.752 -12.240) 13.130 3.746 ( -4.209 -0.148 4.759) 6.355 3.863 ( 1.641 -2.283 -0.723) 2.903 3.981 ( 3.827 -5.488 -6.390) 9.252 4.102 ( -1.112 -4.093 -1.336) 4.447 4.228 ( -4.810 -4.321 7.124) 9.620 4.386 ( -2.765 -2.551 -1.572) 4.077 4.552 ( 4.786 -9.697 14.005) 17.694 4.731 ( 8.946 2.086 0.428) 9.196 4.970 ( -0.349 -3.259 -2.482) 4.111 5.129 ( -4.740 -5.947 0.318) 7.611 5.414 ( 1.985 -0.353 -6.021) 6.349 5.541 ( -4.077 -0.528 -2.442) 4.781 5.688 ( -0.508 4.460 -2.549) 5.163 5.824 ( -1.858 7.913 -0.529) 8.146 5.951 ( 2.770 -2.318 6.065) 7.059 6.059 ( -5.699 -3.722 -1.334) 6.936 6.274 ( -0.597 -4.587 1.773) 4.954 6.519 ( 0.079 1.757 2.977) 3.458 6.622 ( 2.234 13.507 -0.872) 13.718 6.826 ( -0.774 5.300 -2.012) 5.722 7.802 ( -0.218 0.410 -0.182) 0.499 8.045 ( -1.191 4.415 1.848) 4.932 8.257 ( -2.631 5.559 -5.052) 7.959 8.430 ( 7.343 -3.249 2.269) 8.344 8.883 ( -1.051 -3.210 -0.310) 3.392 9.039 ( -3.043 2.519 -4.870) 6.271 9.177 ( -3.914 -3.274 1.715) 5.384 9.353 ( 0.899 0.287 -0.859) 1.276 9.487 ( 3.049 4.736 2.639) 6.220 9.648 ( -0.752 0.040 -0.888) 1.165 9.845 ( -2.673 -1.107 1.714) 3.363 9.978 ( 4.567 -1.095 2.494) 5.317 10.181 ( 5.354 4.538 0.016) 7.018 10.262 ( -1.484 8.888 3.410) 9.635 10.485 ( 2.352 1.344 1.504) 3.098 10.897 ( 3.674 7.558 4.332) 9.455 10.970 ( 1.215 -0.071 0.186) 1.231 11.274 ( -1.113 -3.427 -3.088) 4.746 11.497 ( 8.420 1.400 1.499) 8.667 11.660 ( -5.838 -0.598 2.300) 6.304 11.765 ( 5.162 3.328 1.645) 6.358 12.074 ( 1.603 -5.209 -0.764) 5.503 12.181 ( 6.880 9.679 6.405) 13.492 12.320 ( -7.326 2.931 -3.838) 8.774 12.361 ( -3.067 1.513 -0.963) 3.553 12.528 ( 0.940 6.874 -1.427) 7.083 12.709 ( -5.286 6.508 -0.541) 8.402 12.840 ( -1.340 -1.015 -3.527) 3.907 13.308 ( 3.046 -0.558 -1.995) 3.684 13.452 ( -6.668 -4.554 -0.109) 8.075 13.582 ( -3.103 1.840 -3.072) 4.739 13.870 ( 8.923 -4.904 7.931) 12.906 14.420 ( -10.104 -4.196 -7.786) 13.428 14.692 ( 4.703 10.030 1.815) 11.226 14.909 ( -2.094 -12.704 1.567) 12.970 15.131 ( -1.906 -5.449 0.418) 5.788 15.316 ( -3.674 -12.532 -1.167) 13.112 15.412 ( -5.433 -12.135 -3.839) 13.839 16.055 ( 9.024 2.826 1.125) 9.522 16.338 ( 5.867 -3.099 3.969) 7.732 16.408 ( -6.435 5.892 0.656) 8.749 16.564 ( -7.152 -1.694 -4.951) 8.862 17.051 ( 0.968 -4.188 -1.146) 4.448 17.134 ( -1.797 -5.382 -0.624) 5.708 17.390 ( -0.261 -4.357 -1.307) 4.556 17.503 ( 1.643 0.334 1.943) 2.566 20.049 ( 5.273 -0.247 -0.031) 5.279 20.131 ( -0.825 -9.084 -3.215) 9.672 20.609 ( 0.430 11.863 0.244) 11.873 20.890 ( 0.019 7.488 0.255) 7.492 22.153 ( -1.318 -13.043 1.964) 13.256 22.598 ( 0.498 -10.429 0.385) 10.448 22.937 ( 0.135 10.568 0.948) 10.611 23.386 ( 0.193 7.338 0.353) 7.349 27.356 ( 1.527 -19.591 0.546) 19.658 27.471 ( -5.456 -21.354 -4.281) 22.451 28.904 ( -2.136 22.166 -1.939) 22.353 29.418 ( 7.742 12.542 6.045) 15.930 30.704 ( -2.978 -4.522 -1.228) 5.552 30.749 ( -1.991 -11.297 -2.442) 11.728 30.845 ( -5.621 -11.500 -2.696) 13.081 31.391 ( -1.428 -2.460 -3.159) 4.251 31.470 ( 0.346 -2.950 -1.169) 3.192 31.758 ( -0.663 9.034 0.497) 9.072 31.883 ( -0.399 11.198 1.186) 11.267 32.691 ( 1.617 -9.803 3.428) 10.511 33.059 ( 1.648 -12.111 2.260) 12.430 33.317 ( -2.633 4.161 -2.817) 5.673 33.825 ( 4.189 12.640 -2.577) 13.564 33.982 ( 5.920 25.857 5.522) 27.094 35.330 ( 0.036 -1.675 -0.667) 1.803 35.433 ( -0.585 -2.465 0.515) 2.585 35.527 ( 0.504 -1.478 -1.320) 2.044 36.057 ( 3.486 -0.716 -3.785) 5.195 36.166 ( -3.693 1.044 5.388) 6.615 36.195 ( -0.925 0.464 -0.683) 1.240 36.707 ( -7.572 -23.117 -4.632) 24.763 38.586 ( 4.928 15.355 4.931) 16.864 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -0.091 0.833 -1.643) 1.845 2.283 ( -2.666 -19.765 -1.250) 19.983 2.472 ( -1.886 2.016 -3.104) 4.154 2.761 ( -0.438 8.447 -1.101) 8.529 2.909 ( 3.718 10.546 2.338) 11.424 3.122 ( 2.202 -9.511 1.718) 9.912 3.221 ( -2.093 -1.532 0.965) 2.767 3.445 ( -5.340 2.913 3.775) 7.159 3.483 ( 3.590 3.586 -2.600) 5.702 3.575 ( -0.305 -1.892 1.901) 2.700 3.722 ( -2.035 0.541 -1.354) 2.504 3.939 ( 3.706 -3.245 -6.370) 8.052 4.015 ( -4.983 -2.745 -0.812) 5.746 4.118 ( 7.021 6.444 4.807) 10.674 4.331 ( -9.526 -1.343 -0.880) 9.660 4.419 ( 5.392 -4.736 1.911) 7.427 4.811 ( 5.433 -3.935 15.410) 16.807 4.825 ( 7.504 -2.812 0.705) 8.044 5.013 ( 0.666 -2.216 0.866) 2.471 5.155 ( -7.450 -0.560 -12.960) 14.959 5.392 ( 0.417 -8.506 -1.237) 8.606 5.547 ( 0.317 6.446 0.135) 6.456 5.606 ( -1.481 -0.936 3.175) 3.626 5.689 ( -1.887 0.589 -4.767) 5.160 6.019 ( 4.176 1.543 4.302) 6.191 6.068 ( -1.536 -4.805 -2.921) 5.829 6.342 ( 0.105 10.479 0.723) 10.505 6.459 ( 0.053 2.559 1.394) 2.915 6.491 ( -0.251 -5.876 -0.843) 5.941 6.750 ( -1.673 1.602 0.078) 2.318 7.805 ( 0.316 -0.838 1.057) 1.386 7.917 ( -3.730 5.197 -0.685) 6.434 8.131 ( -2.783 2.928 -4.679) 6.182 8.588 ( 7.247 -2.750 2.759) 8.228 8.958 ( -0.996 -4.147 0.601) 4.307 8.973 ( -0.401 -0.602 -1.888) 2.021 9.239 ( 3.350 -0.634 3.033) 4.563 9.339 ( -3.634 -0.723 -1.140) 3.877 9.456 ( 4.580 2.755 0.818) 5.407 9.554 ( -4.164 5.582 -2.496) 7.398 9.838 ( -4.142 -4.017 -1.148) 5.883 9.996 ( 3.638 8.323 3.719) 9.815 10.081 ( 1.692 4.331 -1.070) 4.771 10.212 ( -3.564 -2.977 1.252) 4.810 10.474 ( 4.090 5.255 1.798) 6.898 10.787 ( 0.892 8.948 0.639) 9.015 10.948 ( -0.019 1.891 -0.250) 1.908 11.328 ( 0.036 -3.481 -0.954) 3.610 11.473 ( 3.066 5.554 0.942) 6.413 11.640 ( 0.390 3.457 1.392) 3.747 11.759 ( 2.731 2.888 0.419) 3.997 12.001 ( -4.455 5.974 1.314) 7.567 12.143 ( -1.444 -1.357 -1.148) 2.290 12.288 ( -0.117 3.203 -1.916) 3.734 12.414 ( 2.845 -9.157 0.957) 9.636 12.505 ( 4.917 -4.038 -0.717) 6.403 12.589 ( -5.696 1.434 1.373) 6.032 12.829 ( 0.376 3.915 -0.087) 3.934 13.305 ( 3.586 2.257 0.283) 4.246 13.476 ( -8.507 -6.713 -2.292) 11.076 13.564 ( -1.791 -3.906 -3.289) 5.411 13.937 ( 3.547 6.477 2.768) 7.887 14.477 ( -2.459 0.449 3.014) 3.916 14.514 ( 0.333 1.340 -5.129) 5.312 15.094 ( -0.131 -7.403 1.432) 7.542 15.231 ( -0.087 -7.783 0.008) 7.783 15.439 ( -1.265 -1.398 -0.385) 1.924 15.554 ( -1.434 -8.366 -0.521) 8.504 16.073 ( 9.429 2.405 3.185) 10.239 16.281 ( -7.725 2.690 -1.611) 8.337 16.311 ( -2.489 6.404 -2.627) 7.356 16.722 ( 2.027 -15.651 1.641) 15.867 17.119 ( -0.075 -3.807 -1.009) 3.939 17.214 ( -0.864 -4.582 0.164) 4.666 17.405 ( 0.854 2.382 -0.918) 2.692 17.515 ( -0.069 -0.468 0.936) 1.049 20.104 ( 1.811 -3.630 -0.426) 4.079 20.299 ( -0.518 -11.191 -0.847) 11.235 20.390 ( 0.107 12.624 -0.197) 12.626 20.747 ( -0.042 8.420 0.606) 8.442 22.407 ( -0.007 -14.437 1.193) 14.487 22.737 ( 2.065 8.955 -0.765) 9.221 22.811 ( -2.022 -9.692 0.683) 9.924 23.230 ( 0.100 10.387 0.120) 10.388 27.755 ( 0.237 -22.606 -0.184) 22.608 27.798 ( -2.352 -21.767 -1.850) 21.971 28.467 ( -1.422 23.951 -1.145) 24.021 29.276 ( 6.293 12.506 4.701) 14.768 30.774 ( -1.882 -5.855 -0.743) 6.195 30.875 ( -1.035 -7.309 -1.482) 7.529 31.073 ( -1.250 -14.701 0.158) 14.755 31.397 ( -0.049 -0.530 -1.073) 1.198 31.522 ( 1.240 -1.810 0.113) 2.197 31.586 ( -2.518 8.625 -1.728) 9.149 31.680 ( -2.621 9.567 -0.607) 9.938 32.870 ( 1.473 -6.050 2.117) 6.576 33.173 ( -1.133 6.165 0.640) 6.300 33.310 ( 0.997 -9.735 -0.857) 9.823 33.575 ( 9.478 17.664 -1.064) 20.074 33.673 ( -5.693 12.160 2.311) 13.624 35.351 ( -0.104 -0.834 -0.276) 0.885 35.474 ( -0.181 -1.973 0.137) 1.986 35.551 ( -0.018 -1.336 -0.460) 1.413 36.068 ( 0.648 -0.148 -1.109) 1.293 36.147 ( -0.829 1.089 1.303) 1.889 36.201 ( 0.560 -1.384 0.630) 1.621 37.044 ( -3.320 -21.673 -2.684) 22.089 38.331 ( 2.243 17.719 2.226) 17.999 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 20.002 -0.000) 20.002 2.146 ( 0.000 23.833 -0.000) 23.833 2.617 ( 0.000 11.963 -0.000) 11.963 2.831 ( -0.000 -31.130 0.000) 31.130 2.854 ( -0.000 -5.917 0.000) 5.917 3.066 ( 0.000 12.582 -0.000) 12.582 3.304 ( 0.000 10.109 -0.000) 10.109 3.376 ( 0.000 6.636 -0.000) 6.636 3.482 ( -0.000 -14.901 0.000) 14.901 3.591 ( 0.000 13.620 -0.000) 13.620 3.700 ( -0.000 -5.905 0.000) 5.905 3.963 ( 0.000 1.548 -0.000) 1.548 3.988 ( 0.000 3.899 -0.000) 3.899 4.034 ( 0.000 2.629 -0.000) 2.629 4.274 ( 0.000 1.957 -0.000) 1.957 4.496 ( -0.000 -2.163 0.000) 2.163 4.884 ( -0.000 -1.617 0.000) 1.617 4.892 ( -0.000 -2.084 0.000) 2.084 5.083 ( -0.000 -2.722 0.000) 2.722 5.170 ( -0.000 -9.559 0.000) 9.559 5.431 ( 0.000 1.868 -0.000) 1.868 5.586 ( -0.000 -7.851 0.000) 7.851 5.640 ( -0.000 -1.999 0.000) 1.999 5.713 ( -0.000 -3.288 0.000) 3.288 6.018 ( 0.000 2.415 -0.000) 2.415 6.129 ( 0.000 10.526 -0.000) 10.526 6.171 ( -0.000 -7.348 0.000) 7.348 6.376 ( 0.000 4.844 -0.000) 4.844 6.662 ( -0.000 -8.031 0.000) 8.031 6.722 ( 0.000 0.898 -0.000) 0.898 7.830 ( 0.000 2.750 -0.000) 2.750 7.847 ( -0.000 -2.491 0.000) 2.491 8.080 ( -0.000 -0.691 0.000) 0.691 8.612 ( 0.000 3.184 -0.000) 3.184 8.960 ( 0.000 0.461 -0.000) 0.461 9.053 ( -0.000 -3.220 0.000) 3.220 9.257 ( 0.000 2.789 -0.000) 2.789 9.292 ( 0.000 0.661 -0.000) 0.661 9.392 ( 0.000 3.391 -0.000) 3.391 9.545 ( -0.000 -4.291 0.000) 4.291 9.881 ( 0.000 5.170 -0.000) 5.170 9.950 ( -0.000 -7.697 0.000) 7.697 9.997 ( 0.000 2.433 -0.000) 2.433 10.292 ( -0.000 -4.165 0.000) 4.165 10.357 ( 0.000 9.413 -0.000) 9.413 10.634 ( 0.000 6.491 -0.000) 6.491 10.933 ( -0.000 -0.706 0.000) 0.706 11.354 ( 0.000 0.899 -0.000) 0.899 11.406 ( 0.000 2.910 -0.000) 2.910 11.544 ( 0.000 6.089 -0.000) 6.089 11.716 ( 0.000 2.589 -0.000) 2.589 11.891 ( 0.000 5.140 -0.000) 5.140 12.209 ( -0.000 -5.364 0.000) 5.364 12.246 ( -0.000 -0.298 0.000) 0.298 12.546 ( -0.000 -5.219 0.000) 5.219 12.589 ( 0.000 1.609 -0.000) 1.609 12.686 ( 0.000 7.482 -0.000) 7.482 12.696 ( -0.000 -12.438 0.000) 12.438 13.279 ( 0.000 2.559 -0.000) 2.559 13.603 ( -0.000 -2.210 0.000) 2.210 13.617 ( -0.000 -12.310 0.000) 12.310 13.803 ( 0.000 8.914 -0.000) 8.914 14.271 ( 0.000 11.602 -0.000) 11.602 14.639 ( -0.000 -4.556 0.000) 4.556 15.164 ( 0.000 1.760 -0.000) 1.760 15.397 ( -0.000 -10.258 0.000) 10.258 15.437 ( -0.000 -3.481 0.000) 3.481 15.649 ( -0.000 -1.903 0.000) 1.903 16.044 ( 0.000 10.835 -0.000) 10.835 16.194 ( -0.000 -5.568 0.000) 5.568 16.210 ( 0.000 6.731 -0.000) 6.731 17.019 ( -0.000 -14.535 0.000) 14.535 17.179 ( -0.000 -3.470 0.000) 3.470 17.280 ( -0.000 -2.820 0.000) 2.820 17.325 ( 0.000 5.771 -0.000) 5.771 17.517 ( 0.000 0.851 -0.000) 0.851 20.166 ( 0.000 12.101 -0.000) 12.101 20.212 ( -0.000 -7.876 0.000) 7.876 20.503 ( -0.000 -11.761 0.000) 11.761 20.600 ( 0.000 8.432 -0.000) 8.432 22.537 ( 0.000 12.106 -0.000) 12.106 22.662 ( -0.000 -13.325 0.000) 13.325 23.018 ( -0.000 -12.146 0.000) 12.146 23.025 ( 0.000 12.492 -0.000) 12.492 28.030 ( 0.000 23.762 -0.000) 23.762 28.125 ( -0.000 -20.564 0.000) 20.564 28.210 ( -0.000 -23.899 0.000) 23.899 29.121 ( 0.000 9.707 -0.000) 9.707 30.850 ( -0.000 -2.817 0.000) 2.817 30.993 ( -0.000 -6.323 0.000) 6.323 31.244 ( -0.000 -0.929 0.000) 0.929 31.380 ( 0.000 10.047 -0.000) 10.047 31.435 ( -0.000 -3.415 0.000) 3.415 31.545 ( -0.000 -0.306 0.000) 0.306 31.569 ( -0.000 -1.690 0.000) 1.690 32.870 ( 0.000 9.265 -0.000) 9.265 33.036 ( 0.000 8.297 -0.000) 8.297 33.332 ( 0.000 1.178 -0.000) 1.178 33.434 ( 0.000 12.436 -0.000) 12.436 33.591 ( -0.000 -10.546 0.000) 10.546 35.353 ( 0.000 0.392 -0.000) 0.392 35.494 ( -0.000 -0.140 0.000) 0.140 35.565 ( -0.000 -0.353 0.000) 0.353 36.066 ( -0.000 -0.015 0.000) 0.015 36.131 ( 0.000 0.751 -0.000) 0.751 36.251 ( -0.000 -3.393 0.000) 3.393 37.376 ( -0.000 -16.339 0.000) 16.339 38.053 ( 0.000 13.517 -0.000) 13.517 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 13.648 0.000 7.948) 15.794 1.926 ( 22.537 0.000 22.808) 32.065 2.236 ( -5.980 -0.000 2.107) 6.340 2.714 ( -3.073 -0.000 -4.575) 5.511 2.955 ( 0.442 0.000 3.775) 3.801 3.123 ( 20.701 0.000 18.709) 27.903 3.176 ( -9.984 -0.000 -9.407) 13.718 3.402 ( 6.017 0.000 -3.554) 6.988 3.465 ( 2.914 0.000 -12.908) 13.233 3.663 ( -2.634 -0.000 -4.077) 4.854 3.816 ( -0.488 -0.000 -6.823) 6.840 3.840 ( -10.364 -0.000 8.541) 13.430 3.985 ( -3.128 -0.000 -13.398) 13.758 4.057 ( 0.422 0.000 27.332) 27.336 4.145 ( 2.176 0.000 -6.606) 6.956 4.216 ( -9.269 -0.000 -8.785) 12.771 4.356 ( -1.120 -0.000 0.827) 1.392 4.825 ( 2.099 0.000 -3.103) 3.746 4.964 ( 3.329 0.000 0.179) 3.334 5.016 ( 0.332 0.000 1.117) 1.165 5.432 ( 1.437 0.000 -2.167) 2.600 5.477 ( -0.456 -0.000 6.428) 6.444 5.762 ( -1.488 -0.000 -5.815) 6.002 5.842 ( -8.664 -0.000 -3.272) 9.261 5.920 ( 1.124 0.000 3.835) 3.997 6.015 ( -1.251 -0.000 8.533) 8.624 6.289 ( -3.944 -0.000 -0.375) 3.962 6.504 ( 0.344 0.000 3.793) 3.808 6.941 ( -0.385 -0.000 -3.166) 3.189 6.978 ( 5.192 0.000 1.318) 5.356 7.827 ( 2.167 0.000 2.430) 3.256 8.087 ( 6.813 0.000 4.986) 8.443 8.393 ( -0.717 -0.000 -4.885) 4.937 8.410 ( 0.180 0.000 -0.654) 0.678 8.910 ( -17.227 -0.000 -9.069) 19.468 8.960 ( -3.156 -0.000 -0.008) 3.156 9.240 ( 1.133 0.000 1.203) 1.653 9.357 ( 4.273 0.000 0.800) 4.347 9.570 ( -0.747 -0.000 1.073) 1.308 9.614 ( 5.885 0.000 6.705) 8.922 9.790 ( -0.516 -0.000 4.988) 5.015 9.940 ( 6.446 0.000 1.797) 6.692 10.258 ( 9.194 0.000 -1.670) 9.345 10.340 ( 0.206 0.000 -1.335) 1.351 10.654 ( 0.166 0.000 1.220) 1.232 10.909 ( 1.148 0.000 3.367) 3.557 11.082 ( 2.451 0.000 3.062) 3.922 11.218 ( -1.814 -0.000 -3.352) 3.811 11.444 ( 2.621 0.000 4.278) 5.017 11.708 ( 0.622 0.000 4.994) 5.032 11.859 ( 5.310 0.000 2.757) 5.983 11.880 ( 0.556 0.000 -7.937) 7.956 12.301 ( -9.262 -0.000 -5.052) 10.550 12.397 ( -5.113 -0.000 -2.748) 5.804 12.612 ( -9.141 -0.000 -8.766) 12.665 12.641 ( 5.301 0.000 8.523) 10.037 12.973 ( 4.787 0.000 -0.625) 4.828 13.045 ( -4.240 -0.000 1.401) 4.465 13.255 ( 4.354 0.000 -0.508) 4.384 13.473 ( -4.637 -0.000 -3.240) 5.657 13.482 ( 5.998 0.000 4.715) 7.629 13.716 ( 1.952 0.000 2.037) 2.821 14.461 ( -11.067 -0.000 -6.225) 12.697 14.521 ( -1.449 -0.000 -1.573) 2.138 14.630 ( -7.583 -0.000 -3.356) 8.293 14.844 ( -6.050 -0.000 -1.570) 6.251 15.026 ( 0.296 0.000 -0.290) 0.414 15.281 ( -0.506 -0.000 0.641) 0.817 15.880 ( 8.365 0.000 -0.612) 8.387 16.467 ( 3.424 0.000 0.859) 3.530 16.603 ( -6.037 -0.000 0.320) 6.046 16.640 ( -3.517 -0.000 2.269) 4.185 16.913 ( 0.889 0.000 -1.012) 1.347 17.000 ( -1.449 -0.000 -1.162) 1.858 17.199 ( -0.960 -0.000 -0.344) 1.020 17.509 ( 3.421 0.000 2.569) 4.278 19.955 ( -0.920 -0.000 -3.938) 4.044 20.077 ( 7.733 0.000 1.402) 7.859 20.923 ( 1.097 0.000 0.098) 1.102 20.980 ( 0.367 0.000 -0.423) 0.560 21.891 ( -1.769 -0.000 1.869) 2.573 22.366 ( 0.607 0.000 1.117) 1.271 23.214 ( -0.200 -0.000 0.784) 0.809 23.514 ( 0.256 0.000 0.505) 0.566 26.968 ( 0.154 0.000 -0.124) 0.198 26.972 ( 0.038 0.000 -0.213) 0.216 29.449 ( -0.613 -0.000 -0.858) 1.054 29.651 ( 4.981 0.000 4.267) 6.559 30.324 ( -6.116 -0.000 -3.704) 7.150 30.644 ( -3.117 -0.000 -2.130) 3.775 30.687 ( -4.601 -0.000 -3.027) 5.507 31.329 ( -2.681 -0.000 -4.164) 4.952 31.383 ( 0.020 0.000 -1.321) 1.321 32.025 ( -0.029 -0.000 0.509) 0.510 32.168 ( 3.419 0.000 2.069) 3.996 32.429 ( 1.109 0.000 3.328) 3.508 32.740 ( 0.313 0.000 2.751) 2.768 33.399 ( -2.456 -0.000 -2.463) 3.478 34.020 ( -1.618 -0.000 -0.037) 1.618 34.837 ( 5.937 0.000 -8.122) 10.060 35.283 ( -0.669 -0.000 0.070) 0.673 35.384 ( 1.959 0.000 -3.477) 3.991 35.518 ( 0.765 0.000 -0.522) 0.926 35.968 ( -1.518 -0.000 0.555) 1.616 36.060 ( -3.012 -0.000 2.688) 4.037 36.188 ( -4.543 -0.000 6.848) 8.218 36.244 ( -1.905 -0.000 -4.589) 4.969 38.892 ( 6.083 0.000 5.925) 8.492 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 8.100 -2.541 5.877) 10.325 2.051 ( 5.938 11.277 3.727) 13.279 2.320 ( -2.137 -10.401 1.464) 10.719 2.662 ( 4.606 -9.522 0.590) 10.594 2.933 ( -4.188 0.468 0.894) 4.308 3.211 ( 0.240 7.973 0.517) 7.993 3.279 ( 5.842 -2.620 5.414) 8.385 3.505 ( -0.847 -5.880 -1.583) 6.148 3.525 ( -2.355 2.754 -3.617) 5.120 3.570 ( 3.962 -10.580 0.299) 11.301 3.766 ( -1.333 4.010 -5.395) 6.853 3.816 ( -4.972 -1.989 0.723) 5.404 3.843 ( -5.295 -0.611 -9.330) 10.745 4.062 ( 1.550 0.564 -7.712) 7.887 4.141 ( -5.729 -0.476 17.238) 18.171 4.295 ( 2.586 -6.765 -5.222) 8.929 4.471 ( 2.293 -9.048 6.492) 11.370 4.843 ( 2.546 -1.485 -0.337) 2.967 4.938 ( 4.936 4.126 0.808) 6.484 5.055 ( -0.920 -0.976 2.885) 3.181 5.394 ( -2.377 1.301 -8.811) 9.219 5.532 ( 2.605 -0.903 6.952) 7.479 5.696 ( -3.129 1.196 -6.440) 7.259 5.812 ( -5.241 -7.032 -1.509) 8.899 5.994 ( 1.683 0.105 5.893) 6.129 6.043 ( 2.405 4.191 7.045) 8.543 6.204 ( -3.998 0.520 -4.899) 6.345 6.543 ( 0.317 -1.223 2.243) 2.574 6.846 ( -0.554 8.056 -2.068) 8.335 6.935 ( 1.479 7.839 -0.107) 7.978 7.836 ( 1.649 2.198 1.230) 3.010 8.144 ( 2.773 4.148 3.151) 5.901 8.320 ( -1.592 4.927 -2.985) 5.977 8.410 ( 1.629 -3.813 -0.412) 4.166 8.781 ( -6.149 -2.874 -3.556) 7.662 8.983 ( -3.513 -3.729 -0.985) 5.216 9.175 ( -0.219 5.893 0.046) 5.898 9.384 ( 2.028 1.017 0.184) 2.276 9.579 ( 0.944 -0.140 2.146) 2.349 9.658 ( 1.414 1.384 1.271) 2.352 9.804 ( -2.394 -0.102 0.028) 2.396 10.022 ( 6.315 -1.526 3.537) 7.397 10.254 ( 1.255 2.757 -0.881) 3.155 10.423 ( 6.687 -3.367 -0.399) 7.497 10.538 ( -4.306 10.090 2.353) 11.220 10.969 ( 2.433 -1.987 1.899) 3.670 11.068 ( 2.451 5.392 3.062) 6.667 11.200 ( -1.323 -1.561 -2.765) 3.440 11.511 ( 2.307 -2.919 2.073) 4.259 11.702 ( -0.624 4.246 3.717) 5.677 11.845 ( 2.468 -0.017 -2.723) 3.675 11.960 ( 4.006 -4.664 1.272) 6.279 12.220 ( -9.461 0.139 -4.012) 10.277 12.345 ( 1.588 -0.273 -0.060) 1.612 12.507 ( -7.613 -1.391 -7.418) 10.720 12.641 ( 5.770 11.757 9.778) 16.344 12.817 ( -5.101 10.857 -4.599) 12.847 12.868 ( 0.489 13.129 -2.310) 13.339 13.295 ( 2.821 0.216 -0.388) 2.855 13.364 ( -2.561 -1.596 0.249) 3.028 13.663 ( 0.613 4.935 1.586) 5.219 13.804 ( 7.560 -14.175 3.305) 16.401 14.281 ( -11.686 3.247 -6.065) 13.560 14.628 ( -1.583 -14.432 -0.723) 14.537 14.815 ( -0.988 -1.077 3.763) 4.037 14.881 ( -0.365 -21.774 -3.337) 22.031 15.088 ( -2.670 -5.031 -1.186) 5.818 15.248 ( -0.304 0.168 -0.502) 0.610 16.037 ( 6.174 -9.469 0.137) 11.305 16.419 ( 1.733 6.328 2.767) 7.121 16.490 ( -5.728 6.748 -1.126) 8.923 16.569 ( -0.688 5.476 -0.228) 5.524 16.955 ( -0.540 -4.436 -1.101) 4.603 17.044 ( 0.077 -4.726 -0.138) 4.728 17.266 ( -0.659 -6.913 -0.305) 6.952 17.536 ( 1.544 0.516 1.226) 2.038 19.980 ( -0.470 -5.259 -2.033) 5.658 20.109 ( 3.834 1.932 0.526) 4.325 20.809 ( 0.423 9.821 0.065) 9.830 20.987 ( 0.186 2.517 -0.127) 2.527 21.959 ( -0.857 -7.836 0.957) 7.941 22.442 ( 0.298 -7.082 0.519) 7.107 23.127 ( 0.130 8.914 0.578) 8.933 23.488 ( 0.193 3.601 0.293) 3.618 27.076 ( 0.348 -11.939 0.060) 11.944 27.108 ( -0.945 -14.044 -0.852) 14.101 29.247 ( -0.919 17.838 -1.090) 17.895 29.655 ( 3.410 6.038 2.979) 7.547 30.439 ( -2.679 -15.789 -1.284) 16.066 30.629 ( -1.581 -1.772 -1.299) 2.707 30.677 ( -3.014 -3.593 -1.861) 5.045 31.316 ( -1.347 -2.155 -2.115) 3.306 31.407 ( 0.246 -3.044 -0.694) 3.132 31.929 ( 0.140 8.920 0.483) 8.935 32.097 ( 1.015 10.173 0.906) 10.264 32.538 ( 0.669 -8.819 1.695) 9.005 32.867 ( 0.584 -10.681 1.409) 10.790 33.350 ( -1.459 2.497 -1.470) 3.244 33.962 ( -0.736 5.297 -0.261) 5.354 34.556 ( 4.207 26.383 -0.972) 26.734 35.295 ( -0.233 -1.594 -0.427) 1.667 35.395 ( 0.109 -1.530 -0.368) 1.578 35.510 ( 0.336 -0.032 -0.471) 0.579 36.052 ( 3.112 -0.605 -3.111) 4.442 36.173 ( -2.607 -7.237 5.153) 9.258 36.184 ( -1.410 0.415 2.451) 2.858 36.250 ( -4.256 -13.709 -4.629) 15.082 38.868 ( 3.091 9.439 3.026) 10.383 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.000 -5.921 0.000) 5.921 2.082 ( -0.000 -6.407 0.000) 6.407 2.475 ( -0.000 -3.995 0.000) 3.995 2.911 ( -0.000 -1.619 0.000) 1.619 2.928 ( -0.000 -6.291 0.000) 6.291 3.049 ( 0.000 5.505 -0.000) 5.505 3.340 ( 0.000 9.514 -0.000) 9.514 3.424 ( 0.000 0.029 -0.000) 0.029 3.465 ( -0.000 -4.534 0.000) 4.534 3.601 ( 0.000 5.856 -0.000) 5.856 3.719 ( 0.000 1.022 -0.000) 1.022 3.886 ( -0.000 -3.748 0.000) 3.748 3.899 ( -0.000 -5.805 0.000) 5.805 4.196 ( -0.000 -2.878 0.000) 2.878 4.202 ( -0.000 -13.158 0.000) 13.158 4.352 ( -0.000 -0.768 0.000) 0.768 4.678 ( -0.000 -9.869 0.000) 9.869 4.892 ( -0.000 -2.557 0.000) 2.557 4.967 ( -0.000 -4.413 0.000) 4.413 5.058 ( 0.000 0.731 -0.000) 0.731 5.311 ( 0.000 0.867 -0.000) 0.867 5.613 ( -0.000 -1.463 0.000) 1.463 5.625 ( 0.000 0.861 -0.000) 0.861 5.817 ( 0.000 16.330 -0.000) 16.330 5.936 ( -0.000 -7.616 0.000) 7.616 6.044 ( -0.000 -1.113 0.000) 1.113 6.296 ( -0.000 -9.750 0.000) 9.750 6.534 ( 0.000 4.069 -0.000) 4.069 6.631 ( 0.000 14.476 -0.000) 14.476 6.798 ( 0.000 5.425 -0.000) 5.425 7.809 ( 0.000 1.120 -0.000) 1.120 8.022 ( 0.000 8.055 -0.000) 8.055 8.195 ( 0.000 6.408 -0.000) 6.408 8.548 ( -0.000 -6.566 0.000) 6.566 8.842 ( -0.000 -6.575 0.000) 6.575 8.990 ( 0.000 2.155 -0.000) 2.155 9.150 ( -0.000 -5.359 0.000) 5.359 9.358 ( 0.000 2.283 -0.000) 2.283 9.577 ( 0.000 3.177 -0.000) 3.177 9.611 ( 0.000 4.312 -0.000) 4.312 9.768 ( 0.000 0.502 -0.000) 0.502 10.111 ( -0.000 -3.648 0.000) 3.648 10.195 ( 0.000 4.072 -0.000) 4.072 10.253 ( 0.000 15.399 -0.000) 15.399 10.533 ( -0.000 -1.461 0.000) 1.461 10.958 ( 0.000 8.683 -0.000) 8.683 10.988 ( 0.000 1.595 -0.000) 1.595 11.246 ( -0.000 -4.598 0.000) 4.598 11.602 ( -0.000 -4.974 0.000) 4.974 11.602 ( 0.000 6.644 -0.000) 6.644 11.852 ( 0.000 1.955 -0.000) 1.955 12.024 ( 0.000 0.595 -0.000) 0.595 12.211 ( -0.000 -6.948 0.000) 6.948 12.320 ( 0.000 18.249 -0.000) 18.249 12.376 ( 0.000 2.625 -0.000) 2.625 12.488 ( -0.000 -2.817 0.000) 2.817 12.648 ( 0.000 9.354 -0.000) 9.354 12.792 ( -0.000 -4.971 0.000) 4.971 13.305 ( -0.000 -3.034 0.000) 3.034 13.403 ( 0.000 0.168 -0.000) 0.168 13.548 ( 0.000 4.591 -0.000) 4.591 14.098 ( 0.000 7.156 -0.000) 7.156 14.178 ( -0.000 -17.935 0.000) 17.935 14.738 ( 0.000 10.329 -0.000) 10.329 14.902 ( -0.000 -14.522 0.000) 14.522 15.119 ( -0.000 -3.985 0.000) 3.985 15.270 ( -0.000 -17.382 0.000) 17.382 15.359 ( -0.000 -10.646 0.000) 10.646 16.179 ( -0.000 -0.054 0.000) 0.054 16.304 ( 0.000 7.196 -0.000) 7.196 16.435 ( 0.000 7.968 -0.000) 7.968 16.470 ( -0.000 -10.773 0.000) 10.773 17.037 ( -0.000 -4.939 0.000) 4.939 17.131 ( -0.000 -4.643 0.000) 4.643 17.379 ( -0.000 -5.054 0.000) 5.054 17.527 ( 0.000 1.277 -0.000) 1.277 20.091 ( 0.000 0.335 -0.000) 0.335 20.107 ( -0.000 -8.727 0.000) 8.727 20.614 ( 0.000 12.024 -0.000) 12.024 20.892 ( 0.000 7.359 -0.000) 7.359 22.154 ( -0.000 -13.434 0.000) 13.434 22.605 ( -0.000 -10.399 0.000) 10.399 22.944 ( 0.000 11.201 -0.000) 11.201 23.391 ( 0.000 7.381 -0.000) 7.381 27.371 ( -0.000 -19.994 0.000) 19.994 27.409 ( -0.000 -19.805 0.000) 19.805 28.874 ( 0.000 22.368 -0.000) 22.368 29.523 ( 0.000 10.896 -0.000) 10.896 30.673 ( -0.000 -4.240 0.000) 4.240 30.744 ( -0.000 -5.983 0.000) 5.983 30.750 ( -0.000 -18.985 0.000) 18.985 31.351 ( -0.000 -2.704 0.000) 2.704 31.473 ( -0.000 -3.787 0.000) 3.787 31.755 ( 0.000 10.337 -0.000) 10.337 31.888 ( 0.000 12.856 -0.000) 12.856 32.723 ( -0.000 -10.222 0.000) 10.222 33.091 ( -0.000 -12.909 0.000) 12.909 33.274 ( 0.000 4.840 -0.000) 4.840 33.828 ( 0.000 9.050 -0.000) 9.050 34.069 ( 0.000 28.443 -0.000) 28.443 35.325 ( -0.000 -1.814 0.000) 1.814 35.431 ( -0.000 -2.472 0.000) 2.472 35.524 ( -0.000 -1.350 0.000) 1.350 36.062 ( -0.000 -0.412 0.000) 0.412 36.168 ( 0.000 1.083 -0.000) 1.083 36.192 ( -0.000 -0.057 0.000) 0.057 36.615 ( -0.000 -23.563 0.000) 23.563 38.655 ( 0.000 15.995 -0.000) 15.995 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.524 ( -0.000 -0.000 -0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 -0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.792 ( -0.000 -0.000 0.000) 0.000 4.063 ( -0.000 -0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 -0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 -0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.669 ( -0.000 -0.000 -0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 -0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.231 ( -0.000 -0.000 -0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.301 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 0.000 -0.000) 0.000 11.503 ( 0.000 0.000 -0.000) 0.000 11.764 ( 0.000 0.000 -0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.942 ( -0.000 -0.000 0.000) 0.000 12.204 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 -0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.317 ( 0.000 0.000 0.000) 0.000 13.388 ( 0.000 0.000 0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.732 ( 0.000 0.000 -0.000) 0.000 14.253 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.807 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.545 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 16.915 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 0.000) 0.000 17.189 ( 0.000 0.000 0.000) 0.000 17.551 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 20.148 ( 0.000 0.000 0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 20.980 ( 0.000 0.000 0.000) 0.000 21.888 ( 0.000 0.000 0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 23.217 ( 0.000 0.000 0.000) 0.000 23.521 ( 0.000 0.000 0.000) 0.000 26.968 ( 0.000 0.000 0.000) 0.000 26.971 ( 0.000 0.000 0.000) 0.000 29.434 ( 0.000 0.000 0.000) 0.000 29.721 ( 0.000 0.000 0.000) 0.000 30.256 ( 0.000 0.000 0.000) 0.000 30.606 ( 0.000 0.000 0.000) 0.000 30.627 ( 0.000 0.000 0.000) 0.000 31.285 ( 0.000 0.000 0.000) 0.000 31.376 ( 0.000 0.000 0.000) 0.000 32.027 ( 0.000 0.000 0.000) 0.000 32.208 ( 0.000 0.000 0.000) 0.000 32.456 ( 0.000 0.000 0.000) 0.000 32.759 ( 0.000 0.000 0.000) 0.000 33.363 ( 0.000 0.000 0.000) 0.000 34.007 ( 0.000 0.000 0.000) 0.000 34.837 ( 0.000 0.000 0.000) 0.000 35.277 ( 0.000 0.000 0.000) 0.000 35.380 ( 0.000 0.000 0.000) 0.000 35.521 ( 0.000 0.000 0.000) 0.000 35.963 ( 0.000 0.000 0.000) 0.000 36.052 ( 0.000 0.000 -0.000) 0.000 36.191 ( -0.000 -0.000 0.000) 0.000 36.199 ( 0.000 0.000 0.000) 0.000 38.976 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 12.315 0.000 28.637) 31.173 0.764 ( 3.402 0.000 34.072) 34.242 1.211 ( 10.887 0.000 52.772) 53.884 2.448 ( 2.405 0.000 0.421) 2.441 2.586 ( 0.599 0.000 7.328) 7.352 2.779 ( 6.513 0.000 5.520) 8.537 2.978 ( -3.578 -0.000 -0.513) 3.615 3.528 ( 0.905 0.000 -2.278) 2.451 3.571 ( -2.306 -0.000 1.142) 2.574 3.756 ( 3.771 0.000 -14.354) 14.841 3.765 ( 0.080 0.000 7.499) 7.500 3.830 ( -2.834 -0.000 -11.232) 11.584 3.971 ( 8.905 0.000 -4.180) 9.837 4.069 ( -4.945 -0.000 1.246) 5.099 4.288 ( 4.299 0.000 -3.057) 5.276 4.663 ( -8.416 -0.000 -10.204) 13.227 4.755 ( -2.161 -0.000 13.640) 13.810 4.881 ( 2.052 0.000 -6.494) 6.810 5.196 ( 4.805 0.000 2.596) 5.461 5.265 ( -8.392 -0.000 -22.275) 23.803 5.418 ( 3.059 0.000 8.187) 8.740 5.567 ( -10.536 -0.000 -3.949) 11.252 5.654 ( -8.318 -0.000 -3.389) 8.982 5.885 ( 2.068 0.000 -0.681) 2.177 6.103 ( -6.215 -0.000 7.341) 9.619 6.221 ( 6.851 0.000 11.473) 13.363 6.533 ( -3.076 -0.000 2.600) 4.028 6.560 ( 7.335 0.000 -4.449) 8.579 6.717 ( 1.696 0.000 8.953) 9.112 6.729 ( -7.553 -0.000 1.104) 7.633 7.777 ( 4.811 0.000 2.218) 5.297 8.142 ( -15.584 -0.000 -6.831) 17.016 8.267 ( -4.060 -0.000 -3.387) 5.287 8.357 ( -2.387 -0.000 1.747) 2.958 9.069 ( 4.860 0.000 0.850) 4.933 9.094 ( -1.681 -0.000 2.821) 3.284 9.116 ( 3.875 0.000 2.496) 4.609 9.231 ( -0.305 -0.000 1.543) 1.573 9.464 ( -0.701 -0.000 8.104) 8.135 9.707 ( -0.843 -0.000 -1.599) 1.808 9.733 ( 1.813 0.000 -1.065) 2.102 9.954 ( 1.895 0.000 -5.288) 5.617 10.018 ( 5.152 0.000 0.000) 5.152 10.293 ( -1.940 -0.000 -4.254) 4.675 10.532 ( -3.478 -0.000 4.730) 5.871 11.023 ( -3.967 -0.000 -8.193) 9.103 11.182 ( -2.357 -0.000 -1.121) 2.610 11.328 ( -1.861 -0.000 5.548) 5.851 11.356 ( -2.842 -0.000 -0.578) 2.901 11.595 ( 1.699 0.000 -5.400) 5.661 11.629 ( -0.371 -0.000 -0.132) 0.394 11.947 ( 1.034 0.000 -4.392) 4.512 12.313 ( -13.505 -0.000 7.789) 15.590 12.443 ( 11.416 0.000 9.081) 14.588 12.483 ( 7.056 0.000 3.142) 7.724 12.490 ( 1.025 0.000 -0.894) 1.360 12.958 ( -1.472 -0.000 -2.990) 3.333 12.973 ( 9.331 0.000 -9.196) 13.101 13.342 ( -3.046 -0.000 5.525) 6.309 13.525 ( 0.861 0.000 0.317) 0.918 13.648 ( 0.409 0.000 -2.188) 2.225 13.685 ( -1.867 -0.000 -2.135) 2.836 14.554 ( 1.037 0.000 -4.267) 4.391 14.610 ( 0.165 0.000 -2.103) 2.110 14.862 ( -3.018 -0.000 5.688) 6.440 14.935 ( 32.353 0.000 1.231) 32.377 15.113 ( 3.348 0.000 1.677) 3.744 15.254 ( 3.917 0.000 1.824) 4.321 15.682 ( 35.327 0.000 0.482) 35.330 16.163 ( -12.957 -0.000 -9.125) 15.848 16.683 ( 1.836 0.000 5.328) 5.635 16.732 ( 2.210 0.000 2.138) 3.075 16.953 ( -1.087 -0.000 0.582) 1.233 17.092 ( 2.596 0.000 -3.261) 4.168 17.227 ( 3.321 0.000 2.227) 3.998 17.348 ( -5.723 -0.000 4.480) 7.268 19.680 ( 1.813 0.000 -0.505) 1.882 20.059 ( -4.010 -0.000 -6.232) 7.411 20.877 ( -0.349 -0.000 0.680) 0.765 21.046 ( -3.767 -0.000 -1.453) 4.037 22.156 ( -7.382 -0.000 0.759) 7.421 22.286 ( 2.538 0.000 -1.205) 2.810 23.208 ( -1.285 -0.000 2.172) 2.524 23.502 ( 1.136 0.000 -1.934) 2.243 26.964 ( -0.068 -0.000 -0.037) 0.077 26.976 ( -0.089 -0.000 -0.220) 0.237 29.334 ( 3.412 0.000 2.874) 4.461 29.457 ( -0.476 -0.000 2.467) 2.513 30.754 ( -4.784 -0.000 -0.862) 4.861 30.871 ( -5.926 -0.000 0.919) 5.997 30.891 ( -0.487 -0.000 -2.380) 2.430 31.293 ( 108.823 0.000 -2.939) 108.863 31.509 ( -5.658 -0.000 1.706) 5.910 31.682 ( 14.383 0.000 -2.923) 14.677 31.928 ( 2.804 0.000 3.673) 4.621 32.064 ( 1.018 0.000 0.792) 1.290 32.508 ( 10.915 0.000 4.603) 11.846 32.674 ( 0.554 0.000 2.841) 2.894 33.562 ( -1.844 -0.000 -0.354) 1.877 34.066 ( 3.591 0.000 -2.687) 4.485 35.309 ( -0.842 -0.000 2.141) 2.300 35.440 ( 0.794 0.000 -0.643) 1.021 35.528 ( -2.674 -0.000 2.811) 3.880 36.056 ( 1.646 0.000 -4.025) 4.349 36.119 ( -1.368 -0.000 -0.975) 1.680 36.430 ( -3.634 -0.000 -3.782) 5.245 38.307 ( -73.349 -0.000 0.457) 73.350 38.366 ( 11.103 0.000 -1.221) 11.170 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.549 -11.444 28.539) 31.083 1.140 ( 16.969 -20.425 18.295) 32.247 1.862 ( 21.048 -24.403 36.354) 48.582 2.469 ( 9.663 2.061 -7.935) 12.672 2.692 ( -0.822 -0.101 6.618) 6.670 2.777 ( 2.120 -0.133 -1.548) 2.629 2.852 ( 2.365 5.859 3.378) 7.164 3.381 ( 4.857 3.112 0.923) 5.842 3.656 ( -1.253 -3.702 5.616) 6.842 3.765 ( -0.295 3.449 6.083) 6.999 3.813 ( 3.254 -2.695 -9.174) 10.100 3.851 ( -6.039 -4.801 -4.466) 8.914 4.026 ( 1.184 -6.194 -5.423) 8.318 4.157 ( 2.602 -6.009 7.528) 9.978 4.224 ( 3.486 4.159 -7.717) 9.434 4.588 ( -7.708 -1.685 -8.931) 11.917 4.711 ( -8.769 5.496 1.677) 10.484 4.908 ( -1.285 -4.058 -4.396) 6.119 5.065 ( -7.590 1.345 -17.805) 19.402 5.262 ( -3.265 -6.137 -8.339) 10.856 5.395 ( -2.807 2.514 1.482) 4.049 5.572 ( -0.788 -2.089 -0.271) 2.250 5.677 ( 1.122 -4.873 7.445) 8.969 5.869 ( -4.810 -0.730 0.994) 4.965 6.053 ( -4.647 5.434 6.543) 9.692 6.228 ( 3.236 7.221 6.124) 10.006 6.413 ( -2.560 7.117 5.146) 9.148 6.575 ( 1.020 2.498 2.697) 3.815 6.702 ( -3.712 -0.897 0.169) 3.822 6.730 ( 5.005 4.009 1.026) 6.494 7.863 ( 7.609 -1.348 3.707) 8.571 7.977 ( -10.513 2.606 -3.725) 11.454 8.201 ( -1.288 2.362 -1.132) 2.918 8.370 ( 3.948 0.130 -1.686) 4.295 9.033 ( -1.975 5.211 2.416) 6.074 9.116 ( 2.546 -0.748 1.280) 2.946 9.205 ( 1.793 -2.104 4.938) 5.659 9.264 ( 4.519 -0.767 -0.004) 4.583 9.495 ( 0.281 1.218 6.923) 7.035 9.674 ( -4.472 -3.140 0.972) 5.550 9.759 ( 0.474 0.295 -1.544) 1.642 9.871 ( -0.391 3.484 -8.642) 9.327 10.074 ( 8.953 -1.927 5.927) 10.909 10.236 ( -2.619 1.819 -3.447) 4.696 10.506 ( -0.725 3.232 3.661) 4.937 10.886 ( 1.309 8.142 -3.578) 8.990 11.157 ( -10.794 -0.231 -1.808) 10.947 11.266 ( 1.947 6.312 2.030) 6.911 11.331 ( -1.863 -1.024 -3.545) 4.133 11.604 ( 5.318 -0.186 -3.372) 6.299 11.656 ( 3.289 -1.938 5.468) 6.669 11.896 ( 2.232 4.096 0.642) 4.708 12.115 ( -0.332 8.240 12.948) 15.351 12.435 ( 3.296 5.618 4.633) 7.994 12.486 ( 2.775 2.645 0.075) 3.835 12.658 ( 2.087 -2.328 -0.280) 3.140 12.875 ( 1.459 3.851 -4.236) 5.908 12.994 ( 3.533 -0.497 -6.309) 7.248 13.256 ( -6.454 3.561 5.088) 8.957 13.578 ( 0.897 -1.125 -2.000) 2.464 13.593 ( 0.516 1.939 2.284) 3.041 13.731 ( -4.601 -7.372 -2.554) 9.058 14.515 ( 9.950 8.591 5.284) 14.167 14.583 ( -0.501 0.630 -2.036) 2.190 14.800 ( -1.602 -8.569 6.478) 10.860 15.145 ( -2.613 -4.487 -2.120) 5.609 15.376 ( -5.489 -10.242 -4.333) 12.402 15.428 ( 3.993 -15.256 -1.062) 15.805 15.869 ( 0.427 3.481 -5.435) 6.469 16.201 ( 4.929 -5.226 -9.918) 12.247 16.631 ( -0.342 5.916 0.592) 5.956 16.831 ( -1.323 -8.943 -9.548) 13.149 16.979 ( -1.787 -3.139 -1.076) 3.769 17.132 ( 1.213 -4.718 -3.808) 6.183 17.307 ( 4.733 -2.582 3.900) 6.654 17.365 ( -3.361 -3.785 2.591) 5.686 19.737 ( 4.874 -3.022 -0.206) 5.739 20.021 ( 0.867 -3.288 -8.693) 9.334 20.788 ( -0.824 8.419 1.973) 8.686 20.987 ( -0.728 4.082 -0.925) 4.249 22.134 ( -6.665 -4.571 5.826) 9.963 22.379 ( 2.440 -8.029 -1.056) 8.458 23.129 ( -2.689 7.050 2.527) 7.957 23.478 ( 0.702 3.492 -3.057) 4.694 27.053 ( 0.085 -9.843 0.329) 9.849 27.400 ( -10.364 -36.778 -19.125) 42.730 29.258 ( 6.301 13.189 3.795) 15.102 29.354 ( -0.465 12.526 1.136) 12.586 30.744 ( -1.383 -3.447 -0.353) 3.731 30.860 ( -7.750 -4.367 0.317) 8.901 30.899 ( -1.682 -3.669 -2.407) 4.699 31.337 ( 6.209 5.156 3.062) 8.632 31.615 ( -5.800 -2.825 -7.975) 10.258 31.862 ( 15.235 6.799 0.186) 16.684 31.932 ( -1.549 6.749 1.929) 7.188 32.288 ( 34.398 -7.740 -7.471) 36.041 32.759 ( 43.352 -0.113 -6.475) 43.833 32.790 ( 0.455 -9.325 2.269) 9.608 33.522 ( -2.851 2.204 -0.431) 3.630 34.036 ( 2.809 4.387 -2.778) 5.904 35.325 ( -1.124 -1.209 2.335) 2.860 35.440 ( 0.553 -0.015 0.249) 0.607 35.540 ( -3.191 -1.716 4.034) 5.422 35.968 ( 0.188 2.951 -2.645) 3.967 36.248 ( -1.261 -8.830 -2.001) 9.141 36.363 ( -2.580 1.104 -4.897) 5.644 37.563 ( -55.522 16.105 23.592) 62.439 38.404 ( 12.173 6.910 1.147) 14.044 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.656 -16.710 18.260) 26.222 1.696 ( 13.677 -20.665 6.454) 25.608 2.389 ( 7.305 -0.979 -7.765) 10.706 2.563 ( 12.903 -6.943 14.928) 20.917 2.718 ( 2.579 -8.212 3.951) 9.471 2.798 ( 9.139 -5.151 -2.039) 10.687 3.138 ( 5.342 -19.761 8.153) 22.034 3.428 ( 6.383 2.331 1.255) 6.911 3.610 ( -4.334 9.914 -7.799) 13.337 3.694 ( -2.975 3.713 9.669) 10.776 3.812 ( -0.271 -1.764 2.116) 2.768 3.899 ( -0.001 -4.491 -4.138) 6.106 4.027 ( -1.348 5.995 -0.128) 6.146 4.150 ( -0.549 -0.333 -6.482) 6.513 4.333 ( 0.390 -0.707 -4.626) 4.696 4.468 ( -3.639 -1.064 3.504) 5.162 4.572 ( -10.655 1.420 0.931) 10.790 4.875 ( -9.393 -1.780 -2.674) 9.927 4.977 ( -0.069 -2.010 -8.264) 8.506 5.238 ( -3.960 -0.554 -2.819) 4.893 5.412 ( -1.832 -6.477 -7.483) 10.065 5.593 ( 3.763 -0.436 -5.681) 6.828 5.780 ( 0.001 0.633 6.805) 6.834 5.862 ( -9.220 -1.749 3.145) 9.897 5.948 ( -1.792 7.330 4.132) 8.603 6.163 ( 2.561 3.245 3.533) 5.438 6.308 ( 0.823 6.085 2.657) 6.691 6.534 ( 3.077 6.660 4.659) 8.690 6.615 ( -7.601 1.949 -3.007) 8.403 6.732 ( 5.056 1.105 -1.734) 5.458 7.870 ( -3.689 1.677 -0.063) 4.053 7.956 ( 5.991 -1.042 2.065) 6.422 8.164 ( 0.935 1.732 1.241) 2.326 8.403 ( 2.699 -1.844 -3.150) 4.540 8.926 ( -4.098 3.763 -0.060) 5.564 9.109 ( -0.095 3.098 -3.105) 4.387 9.179 ( 0.082 0.845 1.294) 1.547 9.386 ( 3.093 -2.551 -0.092) 4.011 9.517 ( -0.179 -0.069 4.770) 4.774 9.636 ( -3.919 2.382 -1.257) 4.755 9.712 ( 2.482 2.638 -1.251) 3.832 9.920 ( 7.585 -3.520 1.198) 8.447 10.120 ( -1.664 4.837 4.693) 6.942 10.240 ( 0.119 -5.392 1.668) 5.645 10.458 ( 0.097 3.753 0.900) 3.860 10.744 ( 3.360 7.997 0.172) 8.676 11.057 ( -6.482 1.834 -0.242) 6.741 11.222 ( 5.312 2.067 0.691) 5.741 11.327 ( -1.781 -2.039 -2.513) 3.694 11.606 ( 4.368 1.913 -3.114) 5.696 11.785 ( 7.326 -1.181 8.198) 11.058 11.864 ( -2.253 0.616 4.133) 4.748 12.139 ( 0.116 -5.240 1.940) 5.589 12.361 ( 0.110 5.233 0.515) 5.259 12.427 ( 3.248 6.282 -0.905) 7.130 12.600 ( -2.639 5.242 -4.485) 7.386 12.823 ( 2.182 2.545 -1.082) 3.523 12.900 ( -6.976 5.512 -3.238) 9.462 13.236 ( -0.216 -0.957 2.536) 2.719 13.557 ( -0.185 1.138 -3.406) 3.596 13.680 ( 4.159 -5.398 7.986) 10.498 13.815 ( -7.319 -7.967 -2.060) 11.014 14.462 ( 9.386 10.002 5.609) 14.818 14.571 ( -1.180 -1.873 -4.031) 4.598 14.996 ( -1.570 -8.980 4.683) 10.249 15.211 ( -3.736 -6.157 -2.477) 7.616 15.435 ( -4.555 -5.150 -2.824) 7.433 15.680 ( -2.474 -9.518 -2.016) 10.039 15.846 ( 0.962 -3.978 -1.494) 4.357 16.146 ( 4.438 5.375 2.581) 7.433 16.507 ( -0.902 6.955 1.010) 7.086 16.860 ( -8.517 -4.563 -13.327) 16.461 17.012 ( -0.770 -3.629 0.123) 3.712 17.220 ( 0.169 -6.953 -5.724) 9.008 17.369 ( 0.086 0.076 2.319) 2.322 17.447 ( 2.191 -2.942 3.086) 4.794 19.846 ( 5.297 -4.823 -0.346) 7.172 20.094 ( 3.463 -8.215 -9.635) 13.127 20.626 ( -1.693 10.032 3.077) 10.629 20.873 ( 1.034 7.829 -1.203) 7.988 22.262 ( -4.686 -9.945 5.642) 12.357 22.563 ( 1.822 -10.795 -1.679) 11.075 22.980 ( -3.578 8.087 2.814) 9.281 23.364 ( 1.311 7.927 -2.542) 8.428 27.313 ( 0.960 -17.869 1.717) 17.977 27.767 ( -12.549 -27.251 -17.680) 34.823 28.990 ( -2.484 20.274 0.141) 20.426 29.108 ( 9.922 17.940 3.749) 20.841 30.805 ( -1.811 -4.219 0.107) 4.592 30.907 ( -5.913 -6.382 -0.801) 8.737 30.990 ( -3.865 -9.431 0.175) 10.194 31.364 ( 1.410 -2.340 1.509) 3.121 31.534 ( -3.113 2.964 -4.143) 5.970 31.748 ( 2.844 11.052 0.385) 11.418 31.895 ( 1.045 -0.284 -0.741) 1.313 32.539 ( 18.264 -2.959 -2.900) 18.728 32.973 ( 29.878 3.870 -5.154) 30.565 32.998 ( 1.480 -11.728 0.751) 11.845 33.438 ( -3.983 4.049 0.419) 5.696 33.926 ( 1.457 7.838 -2.690) 8.413 35.357 ( -1.465 -1.762 2.706) 3.546 35.459 ( 0.460 -1.433 0.110) 1.509 35.581 ( -4.120 -2.671 5.799) 7.599 35.933 ( 1.850 0.336 -3.137) 3.658 36.254 ( -3.449 1.645 -2.328) 4.474 36.382 ( -3.787 -3.038 3.134) 5.778 37.233 ( -27.210 -2.448 9.121) 28.802 38.320 ( 11.844 13.589 1.655) 18.102 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 9.173 -18.982 7.828) 22.488 2.155 ( 6.245 -18.995 0.235) 19.996 2.512 ( 7.054 -10.933 -5.363) 14.073 2.693 ( 4.342 3.509 1.695) 5.835 2.884 ( 5.744 -5.035 6.241) 9.864 2.987 ( -4.582 -0.693 -0.008) 4.634 3.269 ( 0.534 1.472 -6.224) 6.418 3.412 ( 1.778 7.824 -4.141) 9.029 3.471 ( 3.880 -0.115 -1.332) 4.104 3.707 ( -4.385 0.543 -0.227) 4.424 3.752 ( -1.307 2.509 -1.748) 3.326 3.890 ( -2.207 3.575 0.475) 4.228 4.008 ( 3.284 -1.898 9.228) 9.977 4.105 ( 2.117 0.091 -4.686) 5.142 4.276 ( -2.317 -3.106 -1.536) 4.169 4.414 ( -3.033 7.141 0.572) 7.779 4.616 ( 2.801 -1.645 11.681) 12.124 4.884 ( -7.470 -3.099 2.441) 8.448 4.969 ( 0.572 -2.122 -4.617) 5.114 5.312 ( -0.012 -2.388 -3.025) 3.854 5.365 ( -0.215 -0.673 -7.587) 7.620 5.606 ( -0.527 -4.471 -6.359) 7.791 5.752 ( -8.020 -0.041 -0.599) 8.042 5.765 ( -5.150 5.428 3.070) 8.087 5.877 ( 3.294 4.368 6.979) 8.868 6.106 ( -0.688 4.506 -1.303) 4.741 6.314 ( 3.204 -1.890 1.567) 4.036 6.457 ( 0.868 4.659 2.679) 5.444 6.541 ( -4.003 0.424 -0.425) 4.048 6.750 ( 2.926 -0.595 0.099) 2.988 7.838 ( -1.683 0.200 0.036) 1.696 8.026 ( 3.840 -0.810 0.522) 3.959 8.154 ( -0.005 0.894 1.023) 1.359 8.403 ( -1.822 -0.653 -2.821) 3.421 8.909 ( 2.337 -2.646 2.036) 4.075 9.038 ( -1.919 0.759 -5.664) 6.028 9.168 ( 1.049 2.941 2.611) 4.070 9.393 ( 0.376 0.520 -1.769) 1.882 9.489 ( -5.173 -1.252 -1.166) 5.449 9.567 ( 2.416 4.639 -4.653) 7.001 9.777 ( 4.937 -1.881 8.232) 9.782 9.874 ( 4.453 9.632 1.336) 10.695 10.206 ( -0.608 -6.809 7.071) 9.835 10.285 ( -5.569 -1.485 -3.231) 6.607 10.375 ( 0.223 4.480 0.251) 4.492 10.653 ( 5.000 6.672 -0.081) 8.338 10.997 ( -2.737 1.556 1.711) 3.584 11.272 ( 4.700 -2.282 0.287) 5.233 11.357 ( 0.172 -2.265 0.826) 2.417 11.570 ( 1.900 2.874 -3.354) 4.808 11.800 ( 1.809 5.332 5.863) 8.129 11.929 ( 0.736 -2.049 2.176) 3.078 12.269 ( 0.904 -4.786 -0.662) 4.916 12.319 ( -0.792 -4.607 -3.393) 5.776 12.328 ( 0.777 4.043 -1.025) 4.243 12.461 ( -2.704 2.671 -3.870) 5.424 12.704 ( -2.512 7.066 0.101) 7.500 12.803 ( 0.404 4.812 1.775) 5.145 13.258 ( -0.642 -0.657 0.844) 1.248 13.542 ( 0.673 -1.576 -1.747) 2.447 13.811 ( -0.370 -0.353 3.319) 3.358 13.892 ( -6.827 -8.093 -1.361) 10.675 14.359 ( 5.941 10.447 3.409) 12.492 14.589 ( -0.461 -4.853 -5.553) 7.389 15.133 ( -1.992 -5.212 4.402) 7.107 15.261 ( -2.641 -5.062 -1.301) 5.856 15.507 ( 0.595 -2.538 2.222) 3.425 15.625 ( -3.449 7.982 -2.984) 9.193 15.936 ( -2.797 -8.129 -0.660) 8.622 16.229 ( 5.820 -0.641 3.348) 6.745 16.443 ( 2.506 -0.032 2.857) 3.800 16.755 ( -6.531 -0.032 -10.073) 12.005 17.090 ( -0.718 -4.993 -0.214) 5.049 17.301 ( 1.334 -4.401 -5.214) 6.952 17.354 ( -2.327 1.399 2.505) 3.694 17.510 ( 1.587 -0.476 3.346) 3.734 19.984 ( 3.968 -7.094 -0.925) 8.181 20.234 ( 4.572 -8.275 -7.995) 12.382 20.452 ( -3.554 8.137 3.347) 9.489 20.727 ( 1.602 8.691 -0.722) 8.867 22.453 ( -2.924 -11.216 4.607) 12.473 22.705 ( -0.505 -0.365 -1.483) 1.608 22.871 ( -1.625 -1.431 1.972) 2.929 23.200 ( 1.986 10.341 -2.002) 10.719 27.705 ( 1.926 -22.526 3.520) 22.880 28.021 ( -10.395 -21.585 -12.532) 27.037 28.563 ( -4.449 23.158 -1.536) 23.631 28.907 ( 13.922 17.516 4.933) 22.913 30.878 ( -3.682 -6.278 0.840) 7.326 30.968 ( -4.292 -4.561 -0.411) 6.276 31.134 ( -1.868 -8.011 0.954) 8.281 31.399 ( -0.575 1.846 -1.175) 2.263 31.471 ( 1.057 -0.243 0.738) 1.311 31.590 ( 1.392 8.136 1.477) 8.385 31.877 ( -4.200 -1.149 -7.606) 8.764 32.658 ( 17.701 3.382 -4.202) 18.505 33.060 ( 10.744 1.075 -0.971) 10.841 33.225 ( 2.633 -11.394 -0.179) 11.696 33.336 ( -3.641 3.953 0.979) 5.462 33.759 ( -0.153 9.625 -2.099) 9.852 35.389 ( -1.908 -1.342 2.882) 3.707 35.489 ( 0.090 -1.342 -0.111) 1.349 35.626 ( -4.852 -1.960 6.851) 8.621 35.941 ( 3.163 -0.990 -3.381) 4.734 36.205 ( -1.444 0.448 -0.096) 1.515 36.375 ( -8.342 1.778 9.682) 12.903 37.257 ( -10.342 -12.582 -3.858) 16.738 38.139 ( 9.801 15.995 0.386) 18.763 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -16.401 5.388 -5.825) 18.220 2.306 ( -2.465 3.282 -2.027) 4.577 2.616 ( 4.527 7.095 3.717) 9.200 2.714 ( -3.213 -3.953 -8.881) 10.239 2.807 ( 2.862 -7.371 2.124) 8.187 3.035 ( -3.464 -0.885 -8.657) 9.366 3.219 ( 5.524 1.707 5.997) 8.330 3.430 ( 8.701 5.931 3.102) 10.978 3.464 ( 0.019 -1.110 -3.872) 4.028 3.619 ( 4.789 -3.325 1.387) 5.993 3.738 ( -3.327 -0.153 -3.108) 4.555 3.816 ( 0.619 2.675 1.010) 2.926 3.946 ( -5.042 12.140 1.299) 13.209 4.117 ( -1.142 -3.029 -3.113) 4.491 4.254 ( 2.583 3.940 -4.004) 6.183 4.505 ( 10.314 -3.791 6.386) 12.709 4.667 ( -2.006 1.495 10.575) 10.867 4.809 ( -1.152 2.015 -3.751) 4.410 5.069 ( 2.362 -5.208 3.509) 6.710 5.116 ( 1.248 0.815 -9.496) 9.612 5.557 ( 0.998 -1.022 -2.601) 2.968 5.600 ( -5.216 0.532 0.761) 5.298 5.649 ( -0.970 -4.699 -5.027) 6.949 5.784 ( -4.183 -3.388 3.782) 6.578 5.876 ( 3.731 3.009 8.346) 9.624 6.067 ( 0.647 -2.438 -5.679) 6.214 6.326 ( -3.645 3.563 4.703) 6.935 6.428 ( 2.758 0.529 0.051) 2.808 6.532 ( -0.774 -1.026 0.154) 1.294 6.799 ( 0.839 -2.220 2.161) 3.209 7.835 ( -0.589 -0.946 0.919) 1.444 8.002 ( -6.304 0.719 -3.850) 7.422 8.139 ( -1.638 0.127 -0.276) 1.666 8.446 ( 6.327 -1.635 1.766) 6.769 8.970 ( -0.765 1.406 -2.314) 2.814 9.038 ( 0.759 -5.836 0.516) 5.908 9.124 ( 0.597 3.179 2.926) 4.361 9.378 ( 0.074 0.199 -2.349) 2.359 9.468 ( -0.385 2.790 -2.062) 3.491 9.534 ( 0.664 -3.926 -2.104) 4.504 9.763 ( 3.859 4.814 3.276) 6.986 9.904 ( 2.584 -1.662 8.853) 9.371 10.139 ( -4.711 4.696 -6.983) 9.644 10.315 ( -2.131 1.688 -0.416) 2.751 10.363 ( 0.032 -2.758 2.559) 3.763 10.577 ( 2.576 3.050 -2.413) 4.664 10.982 ( -2.539 -0.886 2.821) 3.897 11.347 ( 1.814 -1.767 1.299) 2.846 11.388 ( -1.977 -0.316 2.581) 3.266 11.501 ( 0.717 2.756 -4.473) 5.302 11.737 ( -1.288 3.781 0.833) 4.081 11.899 ( 2.789 6.142 -1.219) 6.855 12.254 ( -1.322 0.926 -2.246) 2.766 12.324 ( -6.111 -2.152 -1.383) 6.625 12.396 ( 4.945 -6.728 -0.379) 8.358 12.574 ( 5.552 -9.929 0.100) 11.376 12.635 ( 1.640 1.549 2.107) 3.087 12.674 ( -1.121 8.610 1.951) 8.900 13.277 ( -1.538 -1.423 1.428) 2.536 13.584 ( 1.731 -1.498 1.171) 2.571 13.769 ( -0.750 4.976 -1.036) 5.137 13.881 ( -7.767 -1.790 -7.506) 10.948 14.258 ( -1.233 4.709 2.183) 5.335 14.678 ( 0.708 -4.933 -1.713) 5.270 15.188 ( -1.398 1.196 4.485) 4.848 15.367 ( 1.188 -7.288 -0.139) 7.386 15.412 ( -0.710 5.421 -2.435) 5.985 15.574 ( 3.959 1.758 3.815) 5.773 16.049 ( -3.320 -5.804 -1.078) 6.773 16.209 ( 0.202 4.272 3.692) 5.650 16.397 ( -6.102 5.764 -5.320) 9.938 16.814 ( 9.809 -7.975 -0.168) 12.643 17.150 ( -0.146 -1.646 -1.300) 2.102 17.298 ( 2.441 3.216 1.101) 4.185 17.362 ( -4.109 -3.730 -2.116) 5.939 17.533 ( 0.101 0.569 3.345) 3.394 20.144 ( 2.811 -8.405 -1.947) 9.074 20.207 ( -1.397 8.940 -0.039) 9.049 20.473 ( 0.972 -9.551 -2.600) 9.946 20.592 ( 1.267 6.591 -0.091) 6.712 22.559 ( -1.882 11.084 2.266) 11.469 22.662 ( -1.064 -10.639 3.254) 11.176 22.982 ( 1.461 4.012 -2.222) 4.813 23.034 ( 1.056 -2.500 -1.043) 2.907 28.067 ( -1.814 13.442 1.671) 13.667 28.180 ( -0.776 -11.153 0.142) 11.181 28.259 ( -5.460 -18.889 -6.080) 20.581 28.772 ( 15.702 12.407 3.806) 20.370 30.969 ( -3.639 -0.960 1.894) 4.213 30.984 ( -1.795 -4.077 1.300) 4.640 31.227 ( 0.626 0.441 -0.570) 0.954 31.339 ( 0.405 -0.201 -0.098) 0.462 31.474 ( -1.161 1.189 -1.676) 2.361 31.547 ( 0.137 0.046 5.865) 5.867 31.789 ( -7.185 -1.506 -14.044) 15.847 32.631 ( 14.736 9.789 -7.483) 19.209 33.086 ( -0.962 1.706 0.697) 2.079 33.270 ( -1.848 0.422 0.937) 2.114 33.412 ( 2.929 -3.404 -0.785) 4.559 33.604 ( -0.037 2.243 -1.524) 2.712 35.401 ( -2.459 0.022 2.746) 3.687 35.499 ( -0.287 0.173 -0.039) 0.338 35.644 ( -4.395 0.138 6.083) 7.506 35.970 ( 2.442 -1.479 -2.961) 4.113 36.224 ( -0.424 -2.447 3.075) 3.953 36.333 ( -7.882 1.640 10.774) 13.450 37.406 ( -1.369 -10.007 -5.012) 11.275 37.948 ( 6.107 9.779 -2.518) 11.801 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -25.319 18.083 2.235) 31.194 1.871 ( -19.772 21.974 -13.027) 32.303 2.497 ( -0.998 7.430 1.270) 7.604 2.745 ( 2.969 5.828 -1.081) 6.630 2.826 ( 9.451 9.830 1.207) 13.690 3.045 ( -3.124 4.796 2.103) 6.098 3.167 ( -6.545 13.380 -4.254) 15.491 3.290 ( -1.658 1.044 0.008) 1.960 3.417 ( 1.003 7.767 -5.931) 9.824 3.654 ( 4.819 3.001 -1.410) 5.849 3.702 ( 0.382 -0.911 -5.201) 5.294 3.844 ( 5.139 -1.017 0.281) 5.246 3.919 ( -0.211 -11.283 4.707) 12.228 4.052 ( 2.168 1.008 -2.599) 3.531 4.253 ( 0.523 -1.570 -2.104) 2.677 4.596 ( -1.864 -8.019 2.934) 8.740 4.807 ( 5.471 -3.306 6.801) 9.333 4.923 ( 13.210 -5.844 5.723) 15.537 5.106 ( 2.396 -4.228 -0.242) 4.866 5.263 ( 5.508 -7.416 1.497) 9.358 5.474 ( -2.803 0.416 -2.088) 3.520 5.569 ( -0.380 1.400 -7.838) 7.971 5.670 ( -1.963 1.228 -3.132) 3.895 5.805 ( -2.601 0.280 2.002) 3.294 5.931 ( 4.628 0.588 7.524) 8.853 6.072 ( 0.792 1.639 -5.498) 5.792 6.245 ( -5.454 1.785 5.535) 7.973 6.446 ( -3.393 -1.869 0.183) 3.879 6.544 ( 4.312 0.781 -2.089) 4.854 6.852 ( -1.570 -2.168 2.336) 3.553 7.884 ( 1.467 -1.685 3.391) 4.062 7.905 ( -8.133 -0.284 -4.383) 9.243 8.138 ( -1.834 -2.269 0.230) 2.926 8.496 ( 3.012 1.171 0.218) 3.239 8.918 ( -1.177 2.356 -2.077) 3.354 9.074 ( -0.194 -0.395 0.402) 0.596 9.190 ( 1.966 -3.282 6.146) 7.239 9.348 ( 0.283 1.155 -3.626) 3.816 9.441 ( -3.816 -0.369 -0.172) 3.838 9.548 ( 4.258 2.362 0.090) 4.870 9.769 ( -0.127 -0.127 -1.680) 1.690 9.995 ( 0.341 0.749 -0.000) 0.823 10.070 ( 3.491 -5.267 6.065) 8.758 10.208 ( -1.589 6.643 -2.463) 7.261 10.380 ( -5.657 -2.514 -2.142) 6.551 10.609 ( 1.552 -5.406 -1.133) 5.737 11.024 ( -3.023 -4.217 3.242) 6.118 11.338 ( -0.712 3.418 3.282) 4.792 11.401 ( -2.855 -2.844 -0.030) 4.030 11.459 ( 0.753 0.928 -1.563) 1.967 11.656 ( -0.134 3.789 -3.438) 5.118 11.796 ( 1.105 5.435 0.464) 5.565 12.241 ( 1.390 1.051 -3.230) 3.670 12.327 ( -3.875 -2.440 0.803) 4.649 12.461 ( -3.141 8.050 1.143) 8.716 12.573 ( 5.493 -7.187 -1.565) 9.180 12.700 ( 1.869 -4.409 -0.241) 4.795 12.823 ( 5.961 -8.655 2.771) 10.869 13.287 ( -3.292 -0.733 3.100) 4.581 13.580 ( -0.827 5.485 -1.147) 5.664 13.665 ( 2.382 2.073 -0.074) 3.159 13.856 ( -0.100 -2.341 -3.990) 4.627 14.170 ( -8.261 1.343 -2.279) 8.674 14.678 ( -2.124 2.619 -1.384) 3.645 15.085 ( -2.677 8.310 0.540) 8.747 15.413 ( 9.148 3.496 5.335) 11.152 15.509 ( 3.216 -5.487 -1.999) 6.667 15.633 ( 2.277 -6.036 1.438) 6.610 15.970 ( -5.083 8.983 -0.134) 10.323 16.121 ( -6.389 6.769 0.224) 9.311 16.332 ( 0.433 -7.380 -1.508) 7.545 17.025 ( 13.223 -2.363 -0.875) 13.461 17.136 ( 1.987 1.140 1.230) 2.600 17.275 ( 1.304 1.577 -1.142) 2.343 17.360 ( -3.808 -0.393 -1.513) 4.116 17.528 ( -1.065 1.376 1.481) 2.285 20.022 ( -4.005 8.666 0.150) 9.548 20.261 ( 4.390 -1.377 -6.045) 7.597 20.506 ( -1.393 -1.121 2.685) 3.226 20.684 ( 1.547 -11.166 -1.978) 11.445 22.341 ( -1.775 12.805 3.527) 13.400 22.754 ( 2.067 10.547 -3.726) 11.375 22.886 ( 0.378 -7.226 5.293) 8.965 23.206 ( 1.714 -10.332 -1.890) 10.643 27.654 ( -2.590 21.611 -0.135) 21.766 28.385 ( 12.418 0.036 0.338) 12.423 28.620 ( -0.931 -20.951 1.107) 21.001 28.795 ( 7.010 -5.758 -1.067) 9.134 30.895 ( -1.275 5.723 -0.245) 5.869 31.060 ( -2.866 -1.362 2.871) 4.279 31.140 ( 1.838 6.151 1.348) 6.560 31.300 ( -7.526 5.196 -6.612) 11.285 31.510 ( 1.508 -6.853 0.937) 7.079 31.600 ( -1.442 -3.805 4.699) 6.216 31.706 ( -3.572 -3.067 -13.002) 13.828 32.473 ( 10.046 12.616 -10.264) 19.116 32.974 ( -5.983 6.375 -2.259) 9.030 33.209 ( -0.862 9.012 -0.164) 9.054 33.411 ( -0.835 -2.804 2.101) 3.602 33.722 ( 4.372 -9.176 -2.578) 10.486 35.383 ( -2.556 1.305 2.404) 3.744 35.478 ( -0.228 1.714 0.064) 1.731 35.625 ( -3.274 1.853 4.489) 5.857 35.987 ( 0.533 -0.881 -2.766) 2.951 36.308 ( -0.237 -4.472 3.680) 5.796 36.330 ( -6.555 -0.388 11.916) 13.606 37.469 ( 3.120 3.255 5.087) 6.798 37.930 ( 2.060 -7.836 -8.211) 11.535 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -20.027 24.827 -6.772) 32.609 1.309 ( -24.265 20.161 14.621) 34.771 2.169 ( 1.318 47.766 7.908) 48.434 2.559 ( -7.973 -3.686 -1.646) 8.936 2.648 ( 3.924 2.220 -2.100) 4.973 2.815 ( -11.850 13.808 -4.581) 18.763 2.956 ( -0.806 15.752 2.401) 15.954 3.166 ( 3.550 -9.197 -3.118) 10.340 3.485 ( 2.858 -2.008 1.945) 3.998 3.645 ( 7.171 2.135 -0.378) 7.492 3.764 ( 0.283 -6.139 -0.993) 6.225 3.977 ( 7.899 -5.287 -0.972) 9.554 4.047 ( -0.360 -1.278 -5.592) 5.748 4.108 ( 2.536 -3.504 -0.165) 4.329 4.249 ( -1.515 -1.853 0.734) 2.503 4.735 ( 1.927 0.408 2.741) 3.376 4.865 ( -4.429 -1.096 1.575) 4.827 5.136 ( 12.067 -5.796 0.014) 13.387 5.271 ( 4.013 -5.377 -7.520) 10.079 5.359 ( 1.053 5.226 -3.534) 6.396 5.440 ( -1.136 3.291 -5.494) 6.504 5.545 ( 4.010 -3.360 4.057) 6.621 5.637 ( 4.532 -5.147 7.129) 9.892 5.761 ( -3.873 -0.647 -2.358) 4.580 5.964 ( -1.047 1.099 -7.264) 7.421 6.055 ( 8.149 0.353 12.096) 14.589 6.215 ( -8.086 1.985 7.384) 11.128 6.463 ( -6.732 -5.897 -2.000) 9.170 6.547 ( 8.733 2.339 -3.940) 9.862 6.860 ( -3.904 0.268 1.425) 4.165 7.809 ( -6.214 0.504 -2.673) 6.783 7.991 ( 1.457 -5.488 2.608) 6.248 8.211 ( -1.618 -6.236 3.513) 7.338 8.473 ( -2.614 1.449 -1.573) 3.377 8.859 ( -0.267 1.829 1.880) 2.637 9.088 ( -0.421 -0.809 0.226) 0.940 9.237 ( 1.346 4.465 1.734) 4.976 9.310 ( 0.826 3.381 -0.338) 3.497 9.378 ( -5.050 -0.582 1.743) 5.373 9.603 ( 5.461 -2.707 0.145) 6.097 9.742 ( 2.891 1.929 -1.575) 3.816 9.909 ( -3.535 5.196 -4.292) 7.611 10.087 ( -3.899 1.151 0.051) 4.066 10.314 ( 3.406 -7.230 6.631) 10.384 10.370 ( -8.944 -5.421 -1.457) 10.560 10.749 ( 3.185 -8.570 -1.423) 9.253 11.119 ( -2.441 -6.803 2.875) 7.778 11.311 ( -0.148 0.842 3.458) 3.562 11.423 ( -0.447 -0.773 -2.448) 2.606 11.467 ( -1.249 -1.629 5.467) 5.839 11.582 ( 2.214 2.461 -3.904) 5.119 11.740 ( 0.832 3.175 2.778) 4.300 12.135 ( -1.466 7.193 -1.138) 7.428 12.333 ( -3.763 -1.548 1.133) 4.224 12.419 ( -1.124 -3.680 -1.209) 4.033 12.670 ( 2.678 0.780 -2.928) 4.044 12.796 ( 1.484 -6.786 -3.278) 7.681 12.991 ( 4.433 -4.022 0.106) 5.987 13.294 ( -5.387 -0.399 5.138) 7.455 13.499 ( 1.589 0.628 -0.174) 1.717 13.642 ( 0.262 1.945 -3.268) 3.812 13.891 ( 7.574 4.285 3.944) 9.554 14.092 ( -8.596 -4.979 -4.104) 10.748 14.607 ( -0.620 2.223 -0.553) 2.373 14.920 ( -2.255 8.266 1.859) 8.768 15.375 ( 8.191 9.632 3.971) 13.253 15.474 ( -1.910 10.398 -4.675) 11.560 15.762 ( -5.440 6.731 -1.519) 8.787 15.799 ( 5.934 -5.398 -3.212) 8.641 16.084 ( -1.833 -7.178 5.032) 8.955 16.497 ( 1.021 -9.287 -0.334) 9.349 17.021 ( 5.106 5.264 -1.346) 7.456 17.193 ( 7.274 3.567 -1.009) 8.164 17.256 ( 8.098 1.652 -5.833) 10.116 17.300 ( -3.135 3.000 -0.408) 4.358 17.459 ( -1.272 5.129 -4.492) 6.935 19.851 ( -4.180 6.455 -0.942) 7.747 20.190 ( 3.732 5.816 -7.339) 10.080 20.624 ( -2.579 -9.610 2.703) 10.310 20.873 ( 0.780 -9.386 -0.998) 9.471 22.145 ( -1.078 10.357 7.580) 12.880 22.536 ( 1.990 11.937 -2.771) 12.415 23.059 ( 0.289 -7.296 3.689) 8.181 23.384 ( 2.660 -8.583 -2.225) 9.258 27.293 ( -1.058 16.878 0.148) 16.912 28.395 ( 34.894 18.520 -6.570) 40.047 28.926 ( -4.990 -18.093 -5.044) 19.435 29.050 ( -2.955 -18.335 -0.006) 18.572 30.715 ( -8.721 9.416 -7.462) 14.846 30.986 ( -1.187 5.316 -1.142) 5.565 31.060 ( -0.660 7.274 -5.927) 9.406 31.103 ( -4.153 5.990 6.887) 10.028 31.625 ( 3.117 -1.850 -1.037) 3.770 31.691 ( -0.990 -5.598 -3.638) 6.749 31.761 ( -1.156 -11.154 0.943) 11.253 32.226 ( 9.092 15.885 -13.916) 22.993 32.770 ( -6.529 8.692 -3.329) 11.369 32.996 ( -2.482 12.157 0.176) 12.409 33.493 ( -0.256 -4.305 1.218) 4.481 33.893 ( 4.629 -7.323 -2.803) 9.106 35.348 ( -1.920 1.862 2.019) 3.351 35.446 ( -0.090 1.568 0.175) 1.580 35.586 ( -2.585 2.268 3.276) 4.750 35.984 ( -0.159 -0.749 -2.947) 3.045 36.346 ( -1.910 2.020 7.111) 7.635 36.403 ( -3.176 -4.670 2.962) 6.377 37.528 ( -6.187 -7.004 23.181) 24.994 38.095 ( 4.197 -11.393 -8.330) 14.724 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -3.239 21.825 17.417) 28.110 0.903 ( -19.061 19.651 23.076) 35.804 1.331 ( -2.797 45.427 28.123) 53.501 2.497 ( -10.915 4.348 -0.733) 11.772 2.607 ( 5.092 3.801 0.015) 6.355 2.691 ( 6.094 2.110 4.294) 7.748 2.868 ( -4.680 -9.990 1.347) 11.114 3.360 ( 2.202 -12.094 -5.372) 13.415 3.538 ( 1.929 -0.064 7.034) 7.294 3.693 ( 4.700 -0.983 3.783) 6.113 3.845 ( 5.382 -0.717 -3.072) 6.238 3.966 ( -1.054 3.348 -10.108) 10.700 4.086 ( -0.270 4.852 -4.858) 6.871 4.114 ( -1.523 -1.521 1.204) 2.466 4.240 ( 4.612 1.888 -8.802) 10.115 4.692 ( -2.471 1.970 9.761) 10.259 4.817 ( -6.981 0.657 -6.649) 9.663 5.025 ( -2.427 11.318 -10.943) 15.929 5.226 ( 10.538 9.127 2.319) 14.133 5.343 ( 2.841 -3.147 -6.208) 7.518 5.408 ( -0.652 -0.789 -9.008) 9.066 5.644 ( -5.474 -3.929 -3.381) 7.539 5.791 ( -3.098 -4.083 -7.245) 8.875 5.830 ( 0.855 1.981 -2.380) 3.213 5.976 ( 10.597 -8.809 15.032) 20.392 6.120 ( -8.214 1.466 8.227) 11.718 6.301 ( 4.448 -11.057 14.540) 18.801 6.521 ( 0.624 -3.133 0.612) 3.252 6.584 ( 8.871 -1.713 -1.104) 9.103 6.806 ( -6.360 2.097 2.037) 7.000 7.767 ( -1.003 0.426 -0.097) 1.094 8.131 ( -0.839 -8.371 -0.070) 8.413 8.347 ( -11.376 -9.652 2.116) 15.068 8.369 ( -6.133 3.012 -5.602) 8.836 8.938 ( 5.110 -5.114 10.446) 12.703 9.100 ( -0.382 -0.547 1.351) 1.507 9.116 ( 0.731 6.352 0.183) 6.397 9.244 ( 1.338 3.606 0.329) 3.860 9.416 ( -1.488 -1.547 6.558) 6.900 9.702 ( 0.226 1.243 -2.150) 2.493 9.709 ( 11.571 0.307 2.859) 11.923 9.823 ( -1.162 -1.875 0.983) 2.415 10.041 ( -8.705 -0.598 -0.669) 8.751 10.329 ( -3.317 -0.888 -4.258) 5.470 10.492 ( -4.240 -5.279 5.412) 8.668 10.931 ( 1.784 -10.336 -2.880) 10.877 11.244 ( -1.693 -6.272 3.427) 7.345 11.339 ( -8.322 -0.815 -1.486) 8.493 11.356 ( 3.119 5.217 -0.698) 6.118 11.539 ( 2.037 -4.015 5.166) 6.853 11.604 ( 0.730 -3.905 0.560) 4.012 11.748 ( 4.388 -2.273 12.063) 13.036 12.051 ( -0.926 -0.169 0.589) 1.110 12.367 ( -3.320 -3.842 3.553) 6.198 12.469 ( 1.005 -1.858 -1.012) 2.343 12.610 ( 0.019 3.491 -3.037) 4.627 12.892 ( 2.526 -4.395 -5.402) 7.408 13.011 ( 1.052 2.016 -3.917) 4.529 13.283 ( -5.171 -0.344 6.977) 8.692 13.568 ( 2.842 -4.177 -1.476) 5.264 13.588 ( -0.156 1.032 -2.103) 2.348 13.807 ( -0.487 7.356 -0.803) 7.415 14.237 ( 8.335 -9.157 7.808) 14.638 14.597 ( 0.507 -1.302 -0.684) 1.556 14.772 ( -2.164 8.730 3.534) 9.663 15.207 ( -1.742 11.113 -2.495) 11.523 15.288 ( 5.713 7.561 1.819) 9.650 15.586 ( -6.186 6.332 -2.297) 9.146 15.801 ( 18.504 17.502 -19.539) 32.101 16.257 ( -0.967 -5.577 1.080) 5.762 16.639 ( 0.259 -5.571 -1.296) 5.726 16.937 ( 8.213 15.716 -14.407) 22.847 17.005 ( 9.877 17.753 -12.372) 23.786 17.132 ( 2.899 4.157 -3.329) 6.063 17.243 ( 1.273 3.690 -1.001) 4.030 17.370 ( -4.082 1.199 5.804) 7.196 19.725 ( -1.882 3.951 -1.623) 4.667 20.101 ( -0.704 0.736 -4.720) 4.829 20.789 ( -1.851 -8.650 1.476) 8.968 21.009 ( -0.791 -6.162 -0.184) 6.215 22.091 ( 0.363 0.225 11.917) 11.925 22.355 ( 2.402 8.158 -1.844) 8.702 23.168 ( -2.654 -4.140 1.505) 5.143 23.502 ( 2.340 -3.401 -3.802) 5.612 27.052 ( -0.172 9.500 0.109) 9.502 27.911 ( 18.361 53.870 -49.168) 75.210 29.165 ( -4.389 -15.580 -1.031) 16.220 29.338 ( -0.019 -12.654 2.833) 12.967 30.480 ( 19.182 7.931 10.819) 23.407 30.896 ( 4.034 4.596 -1.106) 6.215 30.939 ( -0.336 4.147 -0.865) 4.249 30.985 ( -0.634 9.476 7.384) 12.030 31.623 ( 7.583 3.243 -4.153) 9.234 31.791 ( -4.675 -2.963 -6.595) 8.609 31.902 ( 8.300 13.234 -2.000) 15.749 31.966 ( 2.550 -7.127 -0.904) 7.623 32.560 ( -4.030 8.127 0.875) 9.113 32.771 ( -1.098 10.754 1.401) 10.900 33.553 ( -0.824 -2.266 0.163) 2.417 34.014 ( 4.112 -4.059 -2.729) 6.390 35.317 ( -1.070 1.400 1.945) 2.625 35.433 ( 0.107 -0.137 -0.049) 0.180 35.548 ( -2.488 1.519 2.665) 3.949 35.995 ( 0.141 -2.771 -2.490) 3.728 36.267 ( 0.588 8.430 -0.369) 8.459 36.448 ( -2.987 -2.540 -1.453) 4.182 38.001 ( -27.573 -40.890 31.015) 58.260 38.282 ( 5.293 -9.644 -3.061) 11.419 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 20.638 0.000 28.486) 35.177 1.240 ( 12.216 0.000 27.710) 30.283 2.088 ( 29.831 0.000 33.919) 45.171 2.566 ( -8.216 -0.000 1.666) 8.383 2.571 ( 15.726 0.000 -9.139) 18.188 2.958 ( -0.227 -0.000 2.741) 2.750 2.971 ( 8.718 0.000 5.057) 10.079 3.395 ( 0.290 0.000 -15.641) 15.644 3.524 ( -6.738 -0.000 -8.103) 10.539 3.600 ( 1.994 0.000 -5.980) 6.303 3.826 ( -1.849 -0.000 5.624) 5.920 3.882 ( 7.140 0.000 5.849) 9.230 4.070 ( -2.555 -0.000 9.469) 9.807 4.072 ( 0.641 0.000 4.525) 4.570 4.219 ( -3.509 -0.000 -12.345) 12.834 4.496 ( -2.419 -0.000 -5.040) 5.591 4.700 ( -15.466 -0.000 -2.129) 15.612 4.820 ( 1.856 0.000 -8.863) 9.056 4.999 ( -1.104 -0.000 -4.792) 4.917 5.092 ( -9.048 -0.000 -7.516) 11.762 5.417 ( -2.096 -0.000 2.507) 3.268 5.558 ( -2.143 -0.000 1.941) 2.891 5.689 ( 4.793 0.000 14.330) 15.110 5.827 ( -5.148 -0.000 -3.685) 6.331 6.111 ( -3.673 -0.000 6.188) 7.195 6.279 ( -7.913 -0.000 -1.478) 8.050 6.484 ( -8.651 -0.000 6.515) 10.830 6.555 ( -4.633 -0.000 3.863) 6.032 6.719 ( 8.826 0.000 -2.389) 9.144 6.836 ( 5.184 0.000 1.778) 5.480 7.902 ( -7.536 -0.000 -2.748) 8.021 7.920 ( 6.159 0.000 2.748) 6.744 8.247 ( 5.068 0.000 1.401) 5.258 8.377 ( 1.854 0.000 -3.836) 4.261 9.085 ( -3.566 -0.000 2.245) 4.214 9.180 ( 6.309 0.000 2.467) 6.774 9.215 ( 0.077 0.000 2.778) 2.779 9.315 ( 9.634 0.000 4.545) 10.652 9.543 ( 0.505 0.000 4.983) 5.008 9.563 ( -16.631 -0.000 -4.734) 17.292 9.760 ( 2.030 0.000 3.819) 4.325 9.800 ( 0.579 0.000 -9.593) 9.611 10.177 ( 9.631 0.000 3.060) 10.106 10.198 ( -2.977 -0.000 -6.773) 7.398 10.555 ( 0.848 0.000 3.115) 3.228 10.976 ( 4.431 0.000 -3.184) 5.456 11.075 ( -8.855 -0.000 1.447) 8.973 11.275 ( -2.964 -0.000 -4.714) 5.569 11.370 ( 1.913 0.000 2.500) 3.147 11.620 ( 5.495 0.000 -0.671) 5.536 11.696 ( 4.784 0.000 3.684) 6.039 11.891 ( -0.789 -0.000 -5.575) 5.631 12.392 ( 4.129 0.000 12.315) 12.989 12.489 ( -0.611 -0.000 -1.174) 1.323 12.573 ( -2.102 -0.000 2.548) 3.303 12.630 ( 4.855 0.000 0.896) 4.937 12.907 ( 0.642 0.000 -2.312) 2.399 13.005 ( 8.125 0.000 -10.754) 13.479 13.299 ( -7.311 -0.000 4.887) 8.794 13.490 ( -3.949 -0.000 -2.336) 4.588 13.618 ( -3.345 -0.000 -2.597) 4.235 13.652 ( 1.522 0.000 2.175) 2.655 14.520 ( 0.796 0.000 -3.916) 3.997 14.570 ( -1.130 -0.000 -3.225) 3.417 14.861 ( -4.949 -0.000 4.515) 6.699 15.040 ( -0.305 -0.000 -1.443) 1.475 15.183 ( -0.632 -0.000 0.385) 0.740 15.292 ( 0.093 0.000 0.480) 0.489 15.816 ( -12.735 -0.000 -10.554) 16.540 16.146 ( 23.225 0.000 -5.885) 23.959 16.728 ( -1.257 -0.000 2.078) 2.429 16.767 ( -1.518 -0.000 2.377) 2.821 16.926 ( -2.813 -0.000 0.934) 2.964 17.072 ( -1.090 -0.000 -2.460) 2.691 17.288 ( -5.814 -0.000 1.625) 6.037 17.350 ( 6.384 0.000 4.776) 7.973 19.770 ( 8.836 0.000 1.393) 8.945 19.946 ( 0.487 0.000 -8.835) 8.849 20.889 ( 0.636 0.000 0.969) 1.159 20.995 ( -1.797 -0.000 -0.239) 1.813 22.044 ( -8.351 -0.000 3.508) 9.058 22.318 ( 2.544 0.000 -0.409) 2.577 23.227 ( -0.205 -0.000 2.309) 2.318 23.495 ( 1.020 0.000 -1.912) 2.167 26.964 ( 0.037 0.000 -0.035) 0.051 26.972 ( -0.039 -0.000 -0.264) 0.267 29.457 ( 6.305 0.000 4.268) 7.614 29.469 ( -0.867 -0.000 1.009) 1.330 30.616 ( -11.330 -0.000 -0.774) 11.357 30.780 ( -4.822 -0.000 -1.971) 5.210 30.830 ( -3.144 -0.000 -3.199) 4.485 31.432 ( -4.224 -0.000 -0.600) 4.267 31.445 ( -3.102 -0.000 -9.540) 10.031 32.019 ( 1.438 0.000 -0.966) 1.733 32.029 ( 4.366 0.000 3.498) 5.594 32.335 ( 11.468 0.000 0.624) 11.485 32.719 ( 0.753 0.000 2.892) 2.988 33.228 ( 80.165 0.000 -36.097) 87.918 33.514 ( -3.757 -0.000 -0.149) 3.760 34.087 ( 4.643 0.000 -4.156) 6.232 35.317 ( -1.289 -0.000 1.999) 2.378 35.451 ( 0.906 0.000 0.067) 0.908 35.524 ( -3.089 -0.000 4.568) 5.515 36.013 ( -0.459 -0.000 -4.404) 4.428 36.093 ( -0.826 -0.000 -0.682) 1.071 36.320 ( -3.139 -0.000 -5.516) 6.346 37.368 ( -64.584 -0.000 28.373) 70.542 38.583 ( 13.546 0.000 4.045) 14.137 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 11.537 -4.446 23.136) 26.233 1.620 ( 17.956 -8.994 17.113) 26.385 2.425 ( 4.713 -2.046 -7.101) 8.765 2.555 ( 8.237 -2.811 3.557) 9.402 2.745 ( 10.934 -4.465 19.687) 22.958 2.910 ( 16.038 6.654 -5.883) 18.333 2.939 ( 4.683 -4.750 -0.035) 6.670 3.448 ( 3.016 -5.630 -3.154) 7.123 3.610 ( -7.119 -13.929 -6.865) 17.083 3.631 ( -0.417 -2.724 -8.470) 8.906 3.805 ( -2.143 1.358 -2.179) 3.344 3.903 ( -1.423 11.749 12.150) 16.961 4.017 ( 0.581 -5.352 0.547) 5.411 4.059 ( -5.115 1.678 -15.385) 16.300 4.275 ( -1.106 -6.159 2.320) 6.674 4.467 ( -2.686 -0.823 10.233) 10.612 4.539 ( -9.964 1.722 0.642) 10.132 4.828 ( -6.891 2.833 -1.510) 7.602 4.857 ( 0.379 -1.279 -7.899) 8.011 5.114 ( -2.448 -5.878 -4.236) 7.648 5.372 ( -0.404 3.155 -1.312) 3.440 5.599 ( 1.685 -1.558 2.078) 3.096 5.740 ( -7.127 1.131 -3.080) 7.846 5.846 ( 3.603 -3.479 8.846) 10.166 6.074 ( -3.690 4.745 6.474) 8.834 6.167 ( -9.771 0.523 -2.162) 10.021 6.412 ( -6.744 3.630 2.267) 7.987 6.555 ( -2.871 -0.040 3.441) 4.481 6.742 ( 6.161 5.973 1.207) 8.665 6.815 ( 6.544 4.927 -3.455) 8.890 7.848 ( -3.658 0.274 0.096) 3.670 7.988 ( 4.934 -1.212 2.774) 5.788 8.260 ( 5.159 4.038 0.619) 6.581 8.383 ( 2.387 -0.982 -3.340) 4.221 8.997 ( -5.553 6.252 0.949) 8.416 9.154 ( -2.958 5.203 -4.205) 7.315 9.209 ( 3.860 0.805 2.875) 4.880 9.380 ( -2.277 -1.500 -0.278) 2.740 9.514 ( -3.405 -3.001 -0.548) 4.572 9.573 ( 0.821 -1.368 3.007) 3.404 9.775 ( 5.063 1.365 -0.448) 5.263 9.885 ( 4.587 -6.682 7.066) 10.753 10.124 ( -2.895 0.952 -7.557) 8.149 10.273 ( 7.276 -0.588 2.863) 7.841 10.549 ( 1.511 4.121 2.808) 5.210 10.924 ( 4.811 7.115 0.517) 8.605 11.021 ( -5.926 0.658 2.355) 6.411 11.243 ( -1.863 -1.651 -4.819) 5.424 11.366 ( 5.682 3.527 2.831) 7.262 11.664 ( 6.142 0.943 -1.560) 6.407 11.766 ( 1.263 -1.804 5.634) 6.049 11.887 ( 1.533 -3.491 -4.011) 5.534 12.272 ( 2.388 12.988 6.338) 14.648 12.470 ( -0.592 6.680 2.606) 7.194 12.554 ( 1.967 1.701 1.005) 2.788 12.611 ( -4.048 3.020 -5.298) 7.320 12.854 ( 0.134 3.619 -2.081) 4.177 12.939 ( -0.082 5.049 -7.179) 8.778 13.238 ( -1.976 0.818 3.471) 4.077 13.528 ( -5.332 -4.631 -1.588) 7.239 13.638 ( 1.009 -5.865 3.614) 6.963 13.665 ( -0.521 0.331 -0.212) 0.653 14.523 ( -2.544 0.797 -3.775) 4.621 14.628 ( 4.022 -4.536 -3.151) 6.832 14.862 ( -1.792 -3.130 8.359) 9.104 15.036 ( -7.076 -7.856 -4.027) 11.314 15.268 ( -2.344 -6.315 -1.783) 6.968 15.384 ( -11.370 -12.221 -5.367) 17.534 15.768 ( 3.907 -5.658 -3.587) 7.756 16.271 ( 10.023 1.349 -2.356) 10.384 16.628 ( -2.216 7.319 1.847) 7.867 16.712 ( -5.652 2.633 -2.659) 6.779 16.957 ( -0.719 -3.301 0.267) 3.389 17.086 ( -1.899 -4.178 -2.642) 5.295 17.320 ( -3.075 -5.294 0.087) 6.123 17.442 ( 4.636 -1.736 4.748) 6.859 19.861 ( 9.513 -0.666 1.557) 9.662 19.947 ( 2.409 -4.670 -8.400) 9.908 20.803 ( -0.301 8.613 2.046) 8.858 20.973 ( 0.381 3.006 -1.053) 3.208 22.076 ( -6.681 -7.573 3.491) 10.685 22.405 ( 2.155 -7.324 -0.669) 7.663 23.143 ( -0.964 8.842 3.576) 9.587 23.464 ( 1.257 3.672 -2.090) 4.408 27.062 ( 0.325 -10.935 0.762) 10.966 27.179 ( -3.667 -20.722 -5.462) 21.741 29.299 ( -2.191 15.875 -0.851) 16.048 29.451 ( 7.935 9.392 4.236) 13.004 30.648 ( -9.966 -11.991 -0.027) 15.592 30.743 ( -5.136 -1.612 -1.687) 5.641 30.820 ( -4.055 -4.075 -3.305) 6.632 31.349 ( -0.165 0.090 -2.629) 2.635 31.457 ( -4.286 -3.516 -4.665) 7.245 31.930 ( -0.480 8.108 0.555) 8.141 32.004 ( 5.098 7.419 1.213) 9.083 32.493 ( 4.315 -8.192 1.878) 9.447 32.827 ( 1.441 -8.848 1.405) 9.074 33.436 ( 53.274 12.390 -26.642) 60.840 33.464 ( -3.182 2.559 -0.235) 4.090 34.048 ( 5.085 5.749 -4.978) 9.148 35.329 ( -1.634 -1.381 1.913) 2.870 35.452 ( 0.342 0.184 0.542) 0.667 35.544 ( -3.568 -1.652 5.952) 7.134 35.946 ( 0.956 1.721 -2.471) 3.159 36.200 ( -1.527 -6.597 -1.516) 6.939 36.275 ( -1.329 -2.417 -5.419) 6.081 37.053 ( -43.896 1.954 23.790) 49.966 38.632 ( 12.079 8.563 4.027) 15.344 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 5.183 -9.576 7.712) 13.343 1.985 ( 10.767 -12.441 9.982) 19.244 2.425 ( 10.630 -2.835 -8.178) 13.709 2.707 ( -5.499 -4.635 2.608) 7.650 2.909 ( 11.103 -3.200 -7.057) 13.540 3.005 ( 13.542 -0.752 15.330) 20.469 3.226 ( -1.722 -8.221 -3.778) 9.210 3.423 ( 1.428 3.775 -4.888) 6.340 3.496 ( 1.219 3.434 -7.924) 8.722 3.707 ( -4.488 -0.583 -13.818) 14.540 3.766 ( -6.048 7.039 6.983) 11.614 3.836 ( -1.043 -6.806 0.276) 6.891 3.962 ( -2.228 -3.770 -2.132) 4.870 4.096 ( 1.360 -6.514 -1.429) 6.806 4.279 ( -0.318 3.432 3.031) 4.590 4.501 ( -2.383 0.892 1.523) 2.966 4.669 ( 4.059 -1.920 14.535) 15.213 4.718 ( -8.911 -6.760 5.038) 12.267 4.925 ( 1.725 -4.552 -3.051) 5.745 5.185 ( -0.806 -6.499 0.528) 6.570 5.316 ( 0.738 1.187 -8.268) 8.385 5.583 ( -0.156 3.673 -2.993) 4.741 5.668 ( -5.326 -1.086 -1.779) 5.720 5.868 ( -3.423 7.169 2.398) 8.298 5.990 ( -0.081 2.200 7.079) 7.414 6.170 ( -6.379 0.340 1.654) 6.599 6.286 ( -2.020 -0.186 -4.028) 4.510 6.539 ( 0.347 2.210 0.699) 2.344 6.613 ( 0.519 10.366 3.899) 11.087 6.778 ( 3.826 2.081 -3.081) 5.335 7.821 ( -2.354 0.266 0.046) 2.370 8.059 ( 3.257 0.879 2.800) 4.384 8.208 ( 1.915 3.958 -3.188) 5.432 8.379 ( 1.289 -0.157 -0.807) 1.529 8.905 ( -1.143 -0.342 1.686) 2.066 9.028 ( -2.117 3.428 -4.424) 5.984 9.238 ( 1.416 0.615 3.223) 3.574 9.367 ( -4.521 -1.935 -1.147) 5.050 9.481 ( 0.115 4.339 1.537) 4.604 9.619 ( 1.708 0.208 -2.255) 2.837 9.837 ( 7.273 -0.974 5.507) 9.174 10.006 ( -8.088 0.368 -7.877) 11.296 10.083 ( 7.003 -1.816 3.703) 8.128 10.304 ( 1.322 3.223 4.045) 5.338 10.477 ( 1.156 5.130 2.475) 5.812 10.842 ( 6.575 7.899 1.458) 10.380 11.003 ( -2.386 0.171 2.895) 3.755 11.252 ( -0.408 -3.167 -2.686) 4.172 11.393 ( 8.372 1.817 3.574) 9.283 11.654 ( 5.772 3.986 -1.883) 7.263 11.801 ( -5.838 -1.621 1.026) 6.145 12.003 ( 8.109 -3.367 3.312) 9.385 12.155 ( 0.234 2.041 1.045) 2.305 12.335 ( -1.435 6.450 -1.390) 6.753 12.448 ( -6.864 3.682 -6.884) 10.395 12.483 ( 2.209 8.642 1.039) 8.980 12.786 ( -4.804 5.630 -1.499) 7.551 12.827 ( -0.993 -1.737 -0.983) 2.230 13.264 ( 1.166 -0.860 0.560) 1.553 13.524 ( -1.133 0.052 -0.335) 1.183 13.641 ( -9.520 -3.619 -3.407) 10.739 13.837 ( 5.177 -6.695 7.056) 11.019 14.460 ( -5.382 -1.920 -6.972) 9.014 14.610 ( 6.412 8.793 0.313) 10.887 14.994 ( -4.541 -10.087 3.430) 11.582 15.163 ( -1.165 -4.776 0.640) 4.957 15.366 ( -3.694 -11.425 -0.157) 12.008 15.489 ( -10.835 -12.097 -5.626) 17.187 15.915 ( 8.634 -1.563 -0.795) 8.810 16.285 ( 6.890 0.879 3.871) 7.951 16.495 ( -2.829 5.163 1.706) 6.130 16.614 ( -7.843 -1.080 -7.727) 11.063 17.021 ( 0.984 -3.610 -0.237) 3.750 17.154 ( -1.943 -6.291 -2.317) 6.980 17.377 ( 0.052 -1.927 -0.236) 1.942 17.516 ( 1.259 -1.231 3.539) 3.952 19.950 ( 7.323 -1.512 0.539) 7.497 20.052 ( 3.567 -9.014 -6.900) 11.899 20.634 ( -1.438 10.801 2.696) 11.225 20.876 ( 1.135 7.263 -1.325) 7.470 22.230 ( -4.895 -12.132 2.977) 13.416 22.573 ( 1.721 -9.749 -1.352) 9.992 22.982 ( -2.136 9.636 4.110) 10.691 23.364 ( 1.794 7.477 -1.827) 7.903 27.354 ( 0.911 -19.556 2.758) 19.771 27.497 ( -5.494 -22.330 -7.473) 24.179 28.924 ( -3.209 21.622 -1.976) 21.948 29.324 ( 10.656 14.644 3.728) 18.490 30.753 ( -4.320 -4.402 -0.274) 6.174 30.800 ( -6.248 -9.518 -0.238) 11.389 30.899 ( -5.379 -12.029 -2.678) 13.446 31.375 ( 0.093 -2.667 -1.602) 3.112 31.462 ( -0.831 -1.974 -1.192) 2.451 31.770 ( -0.402 9.184 0.107) 9.194 31.879 ( 0.409 8.499 -1.865) 8.711 32.680 ( 4.088 -7.891 0.515) 8.902 33.035 ( 2.932 -11.498 -0.381) 11.872 33.359 ( 8.343 9.950 -4.258) 13.665 33.406 ( 19.370 9.652 -8.359) 23.200 33.914 ( 2.177 9.232 -4.189) 10.369 35.359 ( -1.848 -1.982 2.117) 3.439 35.464 ( -0.100 -1.134 0.291) 1.175 35.588 ( -4.455 -2.400 7.288) 8.873 35.937 ( 2.841 -0.173 -2.681) 3.910 36.200 ( -1.104 0.441 -0.919) 1.502 36.353 ( -3.768 -4.115 2.829) 6.256 36.938 ( -22.812 -8.418 8.317) 25.699 38.511 ( 9.431 15.636 1.574) 18.327 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 1.270 -11.828 0.784) 11.922 2.314 ( 1.902 -13.312 3.427) 13.877 2.487 ( -3.599 0.825 -5.239) 6.409 2.678 ( 6.230 -1.464 -3.878) 7.482 2.847 ( -2.202 11.723 -3.854) 12.536 3.086 ( 4.352 6.154 -3.889) 8.481 3.220 ( -1.674 -7.336 -0.795) 7.566 3.412 ( 3.795 -2.125 2.369) 4.953 3.575 ( 9.929 -2.012 2.553) 10.448 3.619 ( -2.181 2.932 -4.082) 5.479 3.673 ( -6.859 -1.440 -1.158) 7.103 3.826 ( -2.717 -0.103 -3.606) 4.516 4.044 ( -1.150 -4.592 -0.173) 4.737 4.154 ( -1.814 11.105 3.071) 11.664 4.296 ( 8.555 -4.853 1.055) 9.892 4.485 ( -7.089 -1.420 -0.595) 7.255 4.724 ( 5.735 -2.539 2.690) 6.825 4.898 ( 4.611 0.116 12.949) 13.746 4.975 ( 1.781 -2.791 -2.311) 4.037 5.145 ( -5.168 5.543 -7.833) 10.899 5.403 ( -0.382 -12.216 2.405) 12.457 5.535 ( 1.222 -0.046 -1.832) 2.202 5.661 ( -1.973 3.478 -4.408) 5.952 5.707 ( -6.632 0.791 4.365) 7.979 6.003 ( 2.614 2.053 3.111) 4.553 6.036 ( -0.654 1.969 -3.469) 4.042 6.379 ( 2.561 -0.408 2.667) 3.720 6.473 ( -2.731 3.140 1.796) 4.532 6.500 ( -1.588 1.102 -0.001) 1.933 6.768 ( -0.455 -0.870 -1.029) 1.422 7.814 ( -1.009 -1.175 0.272) 1.573 7.983 ( -5.412 4.598 -1.912) 7.355 8.125 ( -1.887 2.320 -3.304) 4.457 8.478 ( 9.211 -3.145 2.820) 10.133 8.958 ( -0.289 0.226 -1.880) 1.916 8.980 ( 0.772 -4.062 2.507) 4.836 9.237 ( 2.041 3.441 4.210) 5.808 9.390 ( 0.739 -2.057 -1.361) 2.576 9.416 ( -2.499 1.398 1.621) 3.291 9.558 ( 0.319 5.407 -2.076) 5.801 9.871 ( -2.323 -0.245 -3.466) 4.180 9.964 ( 4.213 -0.012 2.586) 4.943 10.065 ( -3.102 4.423 -3.283) 6.322 10.291 ( -4.054 -1.629 2.361) 4.966 10.428 ( 4.267 5.294 2.710) 7.319 10.730 ( 4.789 9.494 -2.156) 10.850 10.988 ( -2.221 1.359 3.431) 4.307 11.320 ( 0.898 -3.955 0.814) 4.137 11.430 ( 4.863 2.586 2.751) 6.157 11.597 ( 5.350 6.045 -1.466) 8.205 11.763 ( -4.037 1.061 -0.748) 4.241 12.030 ( 2.330 6.611 0.388) 7.020 12.171 ( -6.659 -3.658 -4.985) 9.087 12.282 ( 0.396 -0.074 0.624) 0.743 12.373 ( 3.423 0.918 1.079) 3.705 12.431 ( 3.125 -6.706 -0.970) 7.461 12.675 ( -3.420 2.349 0.877) 4.240 12.826 ( 0.084 3.794 0.541) 3.834 13.273 ( 1.569 0.385 1.756) 2.386 13.552 ( 0.707 -3.051 -0.512) 3.173 13.611 ( -12.879 -6.037 -5.255) 15.164 13.914 ( 2.404 5.195 2.556) 6.269 14.444 ( 2.099 8.198 -3.294) 9.081 14.526 ( -0.841 -6.656 -0.027) 6.709 15.142 ( -2.844 -6.748 2.652) 7.788 15.237 ( -0.571 -5.786 0.742) 5.861 15.465 ( -3.032 0.470 -1.588) 3.455 15.584 ( -2.373 -7.348 0.257) 7.726 15.970 ( 6.725 -0.280 2.020) 7.027 16.303 ( 0.866 3.556 1.919) 4.132 16.399 ( -8.620 4.036 -3.947) 10.304 16.674 ( 4.285 -12.307 -1.294) 13.096 17.089 ( 0.967 -3.545 -1.592) 4.005 17.238 ( -2.278 -5.640 -1.103) 6.182 17.383 ( 1.753 2.275 0.940) 3.022 17.547 ( -0.909 -0.411 2.334) 2.538 20.046 ( 4.584 -4.390 -0.441) 6.362 20.224 ( 4.119 -9.471 -5.336) 11.625 20.439 ( -2.797 9.958 3.032) 10.779 20.736 ( 0.997 8.174 -1.431) 8.358 22.447 ( -2.730 -13.361 2.307) 13.831 22.710 ( 1.546 0.563 0.442) 1.704 22.858 ( -2.730 -0.944 1.475) 3.244 23.209 ( 1.695 10.254 -1.603) 10.516 27.766 ( -0.309 -22.743 2.344) 22.865 27.815 ( -3.258 -22.030 -3.697) 22.575 28.485 ( -2.698 23.568 -1.416) 23.765 29.161 ( 12.086 14.674 1.547) 19.073 30.827 ( -4.021 -6.824 1.082) 7.994 30.895 ( -3.492 -6.583 -0.645) 7.480 31.095 ( -2.452 -12.683 -1.216) 12.975 31.382 ( 0.469 0.809 -1.001) 1.370 31.505 ( 1.769 -0.257 0.983) 2.040 31.617 ( -1.928 6.185 1.238) 6.596 31.696 ( -4.083 7.283 -6.351) 10.490 32.811 ( 7.449 -1.279 -3.584) 8.365 33.194 ( 7.153 6.713 -4.310) 10.715 33.264 ( -0.917 -4.061 3.000) 5.131 33.341 ( 8.976 2.082 -3.574) 9.883 33.720 ( -1.223 10.207 -2.843) 10.666 35.387 ( -2.105 -1.240 2.405) 3.428 35.487 ( -0.257 -1.166 0.078) 1.196 35.632 ( -5.079 -1.622 7.809) 9.456 35.953 ( 3.079 -0.698 -3.278) 4.551 36.200 ( -0.455 -1.135 1.090) 1.638 36.359 ( -7.643 1.150 9.716) 12.415 37.079 ( -6.675 -16.811 -2.651) 18.281 38.266 ( 6.707 17.883 -1.537) 19.161 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -12.864 16.144 -2.974) 20.856 2.206 ( -5.356 22.329 3.070) 23.167 2.528 ( 2.004 1.597 -9.285) 9.632 2.811 ( 1.320 -6.832 -4.692) 8.392 2.856 ( 1.184 -13.887 2.042) 14.086 2.998 ( 8.563 0.555 -0.263) 8.585 3.254 ( -2.490 4.193 -0.999) 4.978 3.427 ( -0.019 8.943 6.653) 11.147 3.574 ( -1.989 0.246 -10.112) 10.309 3.605 ( -5.638 -3.048 3.448) 7.278 3.710 ( 1.037 2.703 1.539) 3.278 3.839 ( 8.551 -3.536 -0.321) 9.259 3.970 ( -0.032 9.074 1.262) 9.162 4.056 ( -0.927 1.777 -0.382) 2.040 4.281 ( 2.188 4.611 -1.845) 5.427 4.471 ( -0.507 -3.929 -0.801) 4.042 4.843 ( 1.700 1.209 -0.699) 2.200 4.895 ( 4.776 -6.111 2.977) 8.308 5.070 ( -0.074 0.029 -2.125) 2.127 5.171 ( 4.862 -8.843 7.036) 12.302 5.467 ( -3.238 2.415 1.464) 4.296 5.557 ( -1.340 -3.957 -6.295) 7.555 5.594 ( 2.501 -1.868 -3.027) 4.348 5.755 ( -3.334 -3.530 2.320) 5.381 5.993 ( 2.558 2.033 -0.247) 3.277 6.081 ( 4.506 -3.117 0.702) 5.523 6.276 ( -8.064 5.336 5.479) 11.114 6.432 ( -3.979 2.558 0.726) 4.785 6.563 ( 6.440 -3.075 -2.684) 7.624 6.787 ( -3.785 -3.240 0.187) 4.985 7.846 ( -1.689 -2.171 -0.407) 2.780 7.866 ( -3.967 1.892 -2.106) 4.874 8.089 ( -0.466 -0.844 1.055) 1.429 8.559 ( 5.102 1.851 -0.851) 5.494 8.962 ( 1.096 0.310 1.608) 1.971 9.060 ( 0.095 -1.673 0.925) 1.914 9.227 ( 3.970 1.606 6.473) 7.762 9.361 ( 1.118 2.508 -3.121) 4.157 9.391 ( -7.776 0.651 -0.399) 7.814 9.532 ( 1.209 -3.628 -1.009) 3.955 9.864 ( 2.205 7.313 0.172) 7.640 9.938 ( -1.121 -5.572 -3.356) 6.601 10.018 ( -1.581 -1.836 0.301) 2.442 10.311 ( -4.799 -1.317 -3.162) 5.896 10.349 ( 3.381 6.710 4.170) 8.593 10.595 ( 2.777 5.326 -2.540) 6.521 10.978 ( -2.800 -0.546 3.863) 4.802 11.374 ( -0.947 -0.521 1.746) 2.053 11.413 ( 0.798 2.896 2.462) 3.884 11.517 ( 3.181 5.034 -0.874) 6.019 11.696 ( -0.812 3.159 -3.352) 4.677 11.900 ( -0.776 5.315 -0.257) 5.378 12.222 ( -1.490 -5.495 -0.217) 5.697 12.242 ( -0.359 1.010 -0.923) 1.415 12.468 ( 4.818 -5.268 -1.716) 7.342 12.620 ( -0.646 -1.662 -0.834) 1.968 12.684 ( 0.414 4.471 0.276) 4.499 12.696 ( 1.424 -5.389 2.647) 6.171 13.297 ( 0.074 0.835 3.424) 3.526 13.600 ( -1.192 -2.970 -2.594) 4.120 13.645 ( -4.772 -8.341 -1.808) 9.778 13.794 ( 1.176 7.925 0.385) 8.021 14.267 ( 0.145 9.918 -0.266) 9.922 14.646 ( -1.262 -4.336 -0.984) 4.622 15.199 ( -2.211 2.947 2.854) 4.661 15.335 ( 0.992 -7.594 -5.515) 9.438 15.464 ( 2.139 -4.079 4.297) 6.299 15.660 ( 0.597 -0.994 2.297) 2.573 16.022 ( 1.658 3.645 0.189) 4.009 16.223 ( -3.961 -0.085 -1.768) 4.339 16.247 ( -3.568 5.946 1.202) 7.038 16.955 ( 7.271 -13.123 -1.987) 15.134 17.133 ( 1.261 -1.605 -3.347) 3.920 17.297 ( -2.235 -3.188 -0.155) 3.897 17.338 ( 0.816 4.396 1.979) 4.890 17.546 ( -1.942 0.733 1.565) 2.600 20.171 ( 2.574 -4.292 -1.953) 5.372 20.181 ( -0.930 8.360 -0.126) 8.413 20.477 ( 2.179 -10.471 -1.117) 10.753 20.592 ( -0.095 6.858 -1.550) 7.031 22.564 ( -1.467 10.490 3.050) 11.023 22.682 ( -0.842 -11.169 2.282) 11.431 22.984 ( 1.920 -0.891 -2.116) 2.993 23.030 ( -0.171 1.372 -0.949) 1.677 28.040 ( -1.588 23.216 -0.337) 23.273 28.121 ( -1.045 -20.084 -2.262) 20.238 28.235 ( -0.575 -23.534 3.893) 23.861 29.008 ( 10.581 11.963 -4.193) 16.513 30.902 ( -5.095 -2.965 1.088) 5.994 30.994 ( 0.669 -5.897 1.607) 6.149 31.230 ( 0.905 -0.929 -1.516) 1.996 31.357 ( 1.849 6.583 0.082) 6.838 31.436 ( -1.348 0.046 -2.805) 3.112 31.538 ( -2.715 -1.740 -6.594) 7.340 31.605 ( -2.388 0.022 5.326) 5.837 32.744 ( 10.019 11.839 -9.343) 18.106 33.073 ( -2.257 7.666 2.049) 8.250 33.272 ( 2.060 -0.743 -1.302) 2.548 33.451 ( 1.427 3.919 0.766) 4.240 33.577 ( -0.189 -5.120 -2.160) 5.560 35.393 ( -2.277 0.252 2.653) 3.505 35.496 ( -0.042 0.184 0.009) 0.189 35.648 ( -4.822 0.379 7.114) 8.602 35.965 ( 1.824 -0.487 -3.576) 4.044 36.242 ( -1.609 -3.240 2.252) 4.261 36.344 ( -6.567 0.173 10.550) 12.429 37.345 ( 0.945 -15.731 -3.298) 16.101 38.001 ( 4.092 13.374 -3.677) 14.461 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -5.928 20.905 7.116) 22.865 1.756 ( -2.293 26.803 9.014) 28.371 2.429 ( 1.075 1.986 -4.147) 4.722 2.707 ( -2.400 9.735 -7.761) 12.679 2.879 ( -6.727 6.867 -8.005) 12.509 3.091 ( 11.701 8.615 5.841) 15.660 3.134 ( -4.642 32.082 2.290) 32.497 3.273 ( 1.998 10.272 6.318) 12.224 3.386 ( 0.319 -14.334 3.865) 14.849 3.596 ( 1.902 -7.002 -6.064) 9.456 3.764 ( 0.121 -1.118 1.793) 2.117 3.935 ( 0.304 -0.396 -1.620) 1.695 3.956 ( -0.272 -4.193 -1.563) 4.483 4.083 ( 8.814 -3.803 2.625) 9.951 4.262 ( -0.979 2.975 4.270) 5.295 4.609 ( -0.418 -11.684 -3.278) 12.143 4.866 ( -0.604 0.641 -1.939) 2.130 5.012 ( -1.295 -8.049 -0.616) 8.176 5.069 ( -2.932 -4.539 -8.946) 10.452 5.334 ( -1.861 -3.718 -3.928) 5.720 5.552 ( 11.001 -5.488 9.839) 15.747 5.583 ( 5.876 0.049 2.518) 6.393 5.599 ( -0.398 0.165 -4.762) 4.782 5.756 ( -4.124 2.168 -0.221) 4.664 5.951 ( -1.257 1.793 -3.166) 3.849 6.101 ( -2.928 0.345 6.244) 6.905 6.282 ( 1.904 -0.276 4.430) 4.830 6.331 ( -6.909 0.162 -1.548) 7.082 6.615 ( 7.148 0.549 -3.661) 8.050 6.812 ( -5.315 -2.626 -0.062) 5.928 7.797 ( -0.102 1.785 0.185) 1.797 7.888 ( -3.544 -4.669 -2.090) 6.224 8.154 ( 1.922 -2.749 4.392) 5.527 8.500 ( -0.297 4.708 -3.762) 6.034 8.951 ( 1.904 3.131 5.210) 6.370 9.079 ( 0.902 -0.620 -0.256) 1.124 9.256 ( -5.027 -0.511 -1.760) 5.351 9.320 ( -1.369 -0.284 1.353) 1.946 9.378 ( 1.496 -0.263 3.702) 4.002 9.577 ( 0.952 -1.955 -1.063) 2.420 9.758 ( 1.310 2.301 -4.616) 5.321 9.968 ( -3.192 0.947 -5.295) 6.254 10.124 ( 5.268 -2.082 1.716) 5.919 10.190 ( -7.432 -0.518 2.400) 7.827 10.353 ( 3.629 2.505 5.322) 6.911 10.606 ( 1.092 -5.931 -2.442) 6.506 11.017 ( -2.475 -3.859 3.539) 5.791 11.333 ( -3.865 3.000 0.619) 4.932 11.392 ( -0.451 -0.373 -0.196) 0.618 11.493 ( 1.541 0.206 3.452) 3.786 11.618 ( 1.562 2.770 -4.093) 5.183 11.845 ( 2.109 3.925 4.999) 6.696 12.236 ( 2.443 0.489 -2.260) 3.364 12.308 ( -0.257 -3.409 0.647) 3.479 12.396 ( -4.138 10.553 -0.253) 11.338 12.605 ( 3.494 -6.753 -4.513) 8.842 12.719 ( -0.627 -3.674 -0.804) 3.813 12.895 ( 0.902 -9.194 -0.480) 9.250 13.275 ( -3.724 1.353 3.211) 5.100 13.593 ( 1.712 4.737 2.365) 5.564 13.637 ( 0.033 1.609 -5.841) 6.059 13.882 ( 4.115 -10.752 6.062) 13.011 14.099 ( -0.896 8.656 0.530) 8.719 14.644 ( -0.131 2.073 -0.795) 2.224 15.074 ( -0.492 8.584 2.480) 8.949 15.490 ( -0.343 -10.157 -5.131) 11.384 15.535 ( -0.358 3.910 -2.095) 4.450 15.699 ( 3.112 0.337 2.537) 4.029 15.881 ( -1.545 3.912 2.786) 5.045 16.084 ( -3.096 8.768 2.180) 9.550 16.333 ( 0.957 -9.221 0.353) 9.277 17.116 ( 0.407 1.568 -4.101) 4.409 17.193 ( 7.505 -8.013 -6.707) 12.865 17.258 ( -2.556 3.089 -0.297) 4.020 17.330 ( 1.478 0.329 2.864) 3.240 17.494 ( -3.530 3.418 -0.667) 4.959 19.971 ( -1.995 9.907 -0.558) 10.122 20.262 ( 5.526 0.824 -7.678) 9.496 20.500 ( -2.952 -1.635 2.274) 4.069 20.691 ( 1.605 -10.961 -1.190) 11.142 22.375 ( -1.282 11.482 6.292) 13.156 22.751 ( 2.317 10.093 -3.089) 10.806 22.918 ( -2.518 -7.588 2.605) 8.409 23.206 ( 1.258 -11.141 -2.388) 11.463 27.631 ( -0.536 21.246 0.427) 21.257 28.483 ( 3.434 -19.835 1.112) 20.161 28.654 ( 0.050 -21.312 2.309) 21.437 28.804 ( 1.101 11.137 -17.518) 20.788 30.845 ( -0.956 6.710 1.551) 6.953 31.073 ( 0.302 1.720 0.241) 1.763 31.157 ( -3.519 7.176 -0.839) 8.037 31.205 ( 6.037 3.772 2.039) 7.405 31.525 ( -1.621 -7.151 -1.903) 7.575 31.616 ( -2.260 -1.308 2.961) 3.948 31.624 ( 5.945 -6.710 0.368) 8.972 32.504 ( 7.941 14.819 -11.116) 20.155 32.907 ( -2.398 9.706 2.279) 10.254 33.199 ( 0.094 10.800 -0.634) 10.819 33.410 ( -1.996 -3.940 1.459) 4.651 33.755 ( 3.166 -9.919 -2.069) 10.615 35.376 ( -2.023 1.392 2.719) 3.664 35.479 ( 0.316 1.647 -0.084) 1.679 35.627 ( -4.082 2.093 5.755) 7.360 35.959 ( 0.880 -0.156 -3.737) 3.842 36.304 ( -3.685 -4.338 1.674) 5.933 36.371 ( -5.087 -1.219 10.010) 11.295 37.519 ( -2.163 -1.706 2.403) 3.655 37.916 ( 5.180 -5.809 -4.728) 9.106 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 3.892 19.388 19.976) 28.108 1.369 ( 6.329 25.228 16.293) 30.692 2.272 ( -0.550 37.607 10.473) 39.042 2.435 ( 2.285 -1.444 -6.112) 6.683 2.686 ( -0.490 8.453 -3.201) 9.052 2.696 ( 3.200 0.966 2.117) 3.957 2.997 ( 2.018 14.275 4.413) 15.077 3.270 ( 6.632 -1.283 5.875) 8.953 3.574 ( 0.859 -4.192 7.650) 8.766 3.737 ( 1.006 2.880 3.474) 4.624 3.805 ( 7.370 -9.124 -5.548) 12.974 3.901 ( -5.109 -1.276 -3.949) 6.582 4.059 ( 1.480 -5.148 -3.144) 6.211 4.194 ( 5.461 5.099 4.756) 8.857 4.213 ( -1.859 -1.912 -1.579) 3.099 4.691 ( -5.189 -2.810 -9.554) 11.229 4.764 ( -9.452 2.975 -0.221) 9.911 5.060 ( -6.761 1.837 -8.452) 10.978 5.113 ( -0.443 -7.933 -15.956) 17.824 5.331 ( -1.599 -3.992 -2.966) 5.224 5.475 ( 2.679 10.194 -2.987) 10.955 5.623 ( 1.098 1.653 1.458) 2.462 5.679 ( -1.522 -0.432 -0.745) 1.749 5.856 ( 6.108 -7.847 6.298) 11.771 5.965 ( 3.600 -2.075 7.518) 8.590 6.067 ( -12.287 0.987 3.403) 12.788 6.261 ( 1.805 -4.568 5.934) 7.703 6.442 ( 2.563 -6.321 2.287) 7.194 6.643 ( 8.360 0.035 -3.184) 8.946 6.780 ( -8.056 0.239 -0.131) 8.061 7.807 ( 5.703 0.840 3.067) 6.530 7.952 ( -5.292 -7.091 -1.450) 8.966 8.216 ( -4.300 -1.842 1.608) 4.947 8.380 ( 1.155 3.910 -4.819) 6.313 8.972 ( 0.414 -0.736 4.964) 5.036 9.097 ( 1.420 -0.643 0.164) 1.568 9.216 ( -5.533 -0.906 0.007) 5.607 9.279 ( 5.483 5.950 1.538) 8.236 9.435 ( 0.546 -0.989 6.092) 6.196 9.667 ( 1.746 -6.662 1.102) 6.975 9.747 ( -0.596 -2.581 -3.757) 4.597 9.841 ( 2.613 7.175 -2.686) 8.095 10.100 ( 1.310 3.852 1.901) 4.491 10.234 ( -5.658 -2.729 1.469) 6.451 10.417 ( 1.779 -3.469 4.320) 5.820 10.742 ( 0.324 -9.282 -3.097) 9.790 11.114 ( -1.857 -6.954 2.098) 7.497 11.256 ( -6.486 0.670 -1.707) 6.740 11.388 ( -1.707 0.284 -2.795) 3.287 11.572 ( 3.732 -1.699 5.699) 7.021 11.594 ( 4.092 -0.387 0.318) 4.122 11.820 ( 0.216 3.258 6.876) 7.612 12.118 ( 0.668 8.060 -0.152) 8.089 12.320 ( 1.179 -2.826 1.790) 3.547 12.407 ( 0.256 -4.744 -0.593) 4.788 12.666 ( 0.997 -1.014 -3.853) 4.107 12.802 ( 2.429 -5.085 -1.701) 5.887 12.999 ( 0.121 -3.111 -3.422) 4.626 13.245 ( -6.043 -0.531 3.375) 6.942 13.551 ( 3.150 1.903 3.041) 4.774 13.600 ( 0.204 0.730 -3.290) 3.376 13.919 ( -4.273 7.462 -1.588) 8.744 14.195 ( 11.597 -9.740 10.624) 18.499 14.600 ( 0.315 1.742 -0.945) 2.007 14.945 ( 0.249 8.595 4.672) 9.786 15.333 ( -5.869 9.651 -5.280) 12.468 15.533 ( 1.639 5.561 0.211) 5.801 15.640 ( 1.507 6.531 -4.093) 7.854 15.855 ( 1.225 2.454 -0.030) 2.743 16.108 ( -1.618 -10.371 3.308) 11.005 16.503 ( 0.374 -8.529 0.021) 8.537 17.040 ( -0.575 4.820 -1.545) 5.095 17.132 ( -4.364 3.452 -12.222) 13.429 17.273 ( 5.805 3.654 -12.465) 14.228 17.319 ( 2.754 5.756 0.768) 6.427 17.400 ( -2.409 1.119 4.952) 5.620 19.808 ( 0.411 6.760 -0.997) 6.846 20.150 ( 3.794 6.983 -9.854) 12.659 20.620 ( -2.211 -9.465 3.218) 10.239 20.872 ( 0.744 -8.786 -1.116) 8.888 22.228 ( -1.751 8.244 9.051) 12.368 22.548 ( 2.556 11.635 -1.668) 12.029 23.040 ( -5.028 -7.069 0.363) 8.683 23.379 ( 1.066 -8.624 -3.170) 9.250 27.291 ( 0.118 16.825 0.680) 16.839 28.294 ( -13.446 25.485 -35.236) 45.517 28.889 ( 8.043 -18.553 3.250) 20.481 29.044 ( -0.917 -20.426 1.868) 20.532 30.755 ( 7.355 5.722 4.591) 10.389 30.979 ( -0.245 5.298 -1.933) 5.645 31.020 ( -2.411 6.387 1.223) 6.935 31.230 ( 8.004 4.775 9.410) 13.244 31.625 ( -3.024 -7.171 -2.866) 8.293 31.679 ( 6.719 -4.266 -2.122) 8.237 31.806 ( 5.322 -5.996 3.062) 8.582 32.273 ( 17.731 12.293 -11.513) 24.455 32.742 ( 2.570 9.753 3.591) 10.706 32.982 ( -0.524 12.357 0.935) 12.404 33.483 ( -2.068 -4.339 0.180) 4.809 33.922 ( 2.832 -7.505 -2.373) 8.365 35.348 ( -1.476 1.701 2.592) 3.434 35.450 ( 0.486 1.598 0.044) 1.671 35.583 ( -3.508 2.575 4.532) 6.283 35.951 ( 0.653 -0.756 -3.372) 3.517 36.341 ( -5.687 -2.392 0.630) 6.202 36.388 ( -1.470 1.449 3.025) 3.662 37.510 ( -22.348 -6.976 13.680) 27.115 38.147 ( 9.805 -11.972 -2.175) 15.627 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 11.197 0.000 17.784) 21.015 1.850 ( 21.195 0.000 27.875) 35.017 2.313 ( -5.779 -0.000 -6.938) 9.030 2.643 ( 6.021 0.000 -9.200) 10.995 2.885 ( 16.727 0.000 8.849) 18.923 3.031 ( 10.312 0.000 13.428) 16.931 3.104 ( 8.402 0.000 -13.149) 15.604 3.251 ( -3.374 -0.000 -7.944) 8.630 3.301 ( 2.801 0.000 -6.187) 6.791 3.628 ( -0.389 -0.000 -3.395) 3.417 3.787 ( -1.864 -0.000 -3.647) 4.096 3.899 ( -10.208 -0.000 -19.239) 21.779 3.990 ( 0.730 0.000 1.697) 1.848 4.092 ( -4.435 -0.000 -5.951) 7.422 4.180 ( -2.512 -0.000 11.882) 12.144 4.461 ( -11.020 -0.000 0.017) 11.020 4.523 ( -3.214 -0.000 22.400) 22.629 4.751 ( 1.067 0.000 -6.282) 6.372 4.934 ( -1.256 -0.000 -2.302) 2.622 5.000 ( 2.425 0.000 0.661) 2.514 5.388 ( -0.891 -0.000 -4.951) 5.030 5.600 ( -3.388 -0.000 9.512) 10.097 5.711 ( -1.051 -0.000 -6.148) 6.237 5.879 ( 3.247 0.000 5.834) 6.676 6.048 ( -14.417 -0.000 -1.546) 14.500 6.122 ( -2.714 -0.000 5.510) 6.142 6.377 ( -8.893 -0.000 -2.033) 9.122 6.565 ( -2.195 -0.000 4.576) 5.075 6.864 ( 10.355 0.000 -0.301) 10.359 6.899 ( 2.824 0.000 -1.573) 3.233 7.837 ( -0.989 -0.000 1.116) 1.492 8.034 ( 5.913 0.000 3.754) 7.004 8.337 ( 1.072 0.000 -4.737) 4.857 8.379 ( 5.094 0.000 2.398) 5.630 9.028 ( -5.188 -0.000 0.400) 5.203 9.099 ( -17.594 -0.000 -10.665) 20.573 9.261 ( -3.095 -0.000 2.529) 3.997 9.294 ( 5.281 0.000 1.567) 5.509 9.551 ( 8.804 0.000 3.486) 9.469 9.583 ( -0.230 -0.000 0.830) 0.861 9.843 ( 8.075 0.000 1.720) 8.256 9.870 ( -1.362 -0.000 6.094) 6.245 10.106 ( 6.170 0.000 -4.345) 7.546 10.303 ( 3.499 0.000 -0.215) 3.506 10.629 ( 3.760 0.000 3.302) 5.005 11.005 ( -5.372 -0.000 5.909) 7.986 11.042 ( 5.384 0.000 0.286) 5.392 11.185 ( -0.917 -0.000 -5.475) 5.551 11.438 ( 3.132 0.000 2.388) 3.938 11.728 ( 5.102 0.000 4.687) 6.929 11.810 ( -1.144 -0.000 -5.850) 5.961 11.815 ( 4.613 0.000 4.029) 6.124 12.392 ( -7.960 -0.000 -3.017) 8.512 12.459 ( -6.320 -0.000 -2.380) 6.753 12.631 ( 6.478 0.000 6.761) 9.364 12.639 ( -2.989 -0.000 -5.223) 6.018 12.892 ( 1.962 0.000 -3.835) 4.307 12.966 ( 3.325 0.000 -12.011) 12.463 13.282 ( -2.194 -0.000 6.140) 6.520 13.458 ( 2.250 0.000 2.908) 3.676 13.525 ( -5.372 -0.000 -2.186) 5.800 13.710 ( 1.818 0.000 1.934) 2.655 14.494 ( -0.305 -0.000 -1.951) 1.974 14.516 ( -0.895 -0.000 -2.831) 2.969 14.755 ( -13.443 -0.000 -5.261) 14.435 14.991 ( -13.848 -0.000 -1.892) 13.977 15.022 ( -0.308 -0.000 -0.237) 0.389 15.286 ( -0.216 -0.000 -0.991) 1.015 15.727 ( 8.256 0.000 -1.846) 8.460 16.355 ( 10.896 0.000 -1.331) 10.977 16.695 ( -4.758 -0.000 0.241) 4.764 16.740 ( -4.559 -0.000 1.451) 4.784 16.903 ( -1.254 -0.000 0.630) 1.403 17.015 ( -2.422 -0.000 -1.729) 2.976 17.226 ( -3.035 -0.000 -0.077) 3.036 17.491 ( 4.233 0.000 4.532) 6.202 19.880 ( 2.656 0.000 -6.892) 7.386 19.955 ( 10.593 0.000 2.998) 11.009 20.914 ( 0.870 0.000 1.235) 1.511 20.979 ( -0.210 -0.000 -0.117) 0.240 21.973 ( -5.627 -0.000 2.586) 6.193 22.348 ( 1.951 0.000 -0.586) 2.038 23.243 ( -1.126 -0.000 2.266) 2.530 23.496 ( 1.519 0.000 -1.507) 2.140 26.965 ( 0.144 0.000 0.033) 0.148 26.969 ( 0.057 0.000 -0.178) 0.187 29.449 ( -1.094 -0.000 -1.366) 1.751 29.603 ( 6.179 0.000 3.480) 7.092 30.420 ( -10.968 -0.000 -1.937) 11.138 30.690 ( -4.348 -0.000 -0.834) 4.427 30.731 ( -4.792 -0.000 -2.951) 5.628 31.313 ( -1.811 -0.000 -5.789) 6.066 31.384 ( -1.236 -0.000 -0.186) 1.250 32.022 ( 0.452 0.000 -0.621) 0.769 32.128 ( 4.219 0.000 1.914) 4.633 32.437 ( 2.216 0.000 1.506) 2.680 32.750 ( 0.491 0.000 0.623) 0.793 33.454 ( -4.813 -0.000 1.934) 5.187 33.754 ( 38.166 0.000 -29.193) 48.051 34.146 ( 17.443 0.000 -14.465) 22.661 35.310 ( -1.876 -0.000 1.231) 2.244 35.466 ( 0.772 0.000 0.289) 0.824 35.538 ( -3.459 -0.000 6.760) 7.593 35.962 ( 0.173 0.000 -3.818) 3.822 36.082 ( -0.946 -0.000 1.494) 1.768 36.226 ( -1.670 -0.000 -4.017) 4.351 36.880 ( -42.004 -0.000 26.905) 49.882 38.826 ( 10.097 0.000 4.609) 11.099 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 7.214 -2.434 14.058) 15.988 2.003 ( 9.371 9.971 9.192) 16.484 2.345 ( -0.323 -8.682 -4.125) 9.617 2.588 ( 3.841 -4.030 0.822) 5.628 2.926 ( 2.569 -5.627 -12.647) 14.078 3.057 ( 9.948 9.334 -3.736) 14.143 3.256 ( 8.636 -2.855 8.628) 12.537 3.427 ( 8.474 -12.239 -2.965) 15.178 3.474 ( 2.540 -11.189 -1.289) 11.546 3.539 ( -3.799 5.128 -3.207) 7.143 3.683 ( -1.317 -1.897 -9.296) 9.578 3.828 ( -3.704 -3.912 -4.927) 7.301 3.880 ( -5.664 7.781 -9.609) 13.600 3.997 ( -6.210 -1.239 -0.749) 6.377 4.280 ( -0.041 -5.091 6.390) 8.170 4.418 ( -7.076 -2.067 1.405) 7.504 4.623 ( -9.823 -3.814 8.071) 13.273 4.797 ( 5.228 -1.911 7.232) 9.126 4.868 ( 6.429 3.976 3.344) 8.266 5.094 ( 0.550 -4.618 2.166) 5.130 5.329 ( -0.316 2.084 -6.824) 7.142 5.612 ( -4.177 0.363 7.094) 8.241 5.656 ( 0.946 2.679 -4.692) 5.486 5.900 ( -4.834 -1.477 -0.768) 5.113 6.021 ( -4.529 -3.504 2.923) 6.429 6.132 ( -0.241 0.719 7.408) 7.447 6.231 ( -9.430 4.618 -7.921) 13.152 6.574 ( -1.149 0.075 2.010) 2.317 6.836 ( 1.257 7.881 1.074) 8.052 6.865 ( 6.291 6.246 -2.039) 9.097 7.825 ( -0.054 1.532 -0.330) 1.568 8.121 ( 5.624 -0.199 4.274) 7.066 8.287 ( 2.206 4.220 -1.636) 5.035 8.396 ( 0.274 0.969 -0.400) 1.084 8.867 ( -8.491 0.947 -2.388) 8.871 9.047 ( -5.155 -1.102 -1.883) 5.598 9.212 ( -4.803 1.873 1.065) 5.265 9.341 ( 3.750 0.130 0.841) 3.845 9.589 ( 1.515 1.576 2.621) 3.413 9.609 ( 3.755 -0.417 -1.820) 4.193 9.854 ( -4.952 -0.243 -2.011) 5.350 9.939 ( 7.394 -1.033 2.297) 7.811 10.175 ( 9.668 0.584 2.246) 9.943 10.344 ( 2.182 -1.825 -1.543) 3.236 10.609 ( -0.142 6.459 4.252) 7.734 10.997 ( 0.185 1.679 4.116) 4.449 11.038 ( 3.352 4.024 2.049) 5.624 11.175 ( -0.320 -2.549 -3.190) 4.096 11.477 ( 4.235 -0.238 1.524) 4.508 11.757 ( -1.690 1.621 1.698) 2.892 11.777 ( 5.272 1.883 -0.352) 5.609 11.923 ( 3.159 -5.588 3.004) 7.087 12.285 ( -1.295 3.822 -0.337) 4.050 12.372 ( -10.395 1.952 -7.466) 12.947 12.517 ( -0.283 7.863 -2.925) 8.394 12.634 ( 2.795 4.340 2.084) 5.567 12.805 ( 1.774 8.240 -3.590) 9.161 12.826 ( -4.324 5.247 -7.147) 9.864 13.272 ( 1.227 1.598 2.953) 3.574 13.443 ( -5.026 -2.557 1.756) 5.906 13.671 ( 0.487 5.501 -0.205) 5.526 13.728 ( 5.769 -13.447 4.410) 15.283 14.387 ( -9.414 4.006 -6.243) 11.985 14.619 ( 0.610 -11.076 -3.255) 11.561 14.838 ( -6.267 -7.453 -4.548) 10.747 14.937 ( -2.505 -14.532 5.232) 15.647 15.140 ( -6.942 -9.676 -2.637) 12.197 15.247 ( -0.564 0.641 -1.034) 1.341 15.887 ( 11.064 -8.136 -0.902) 13.763 16.389 ( 5.445 2.969 0.579) 6.229 16.580 ( -6.590 5.627 -1.951) 8.882 16.613 ( -3.742 8.662 1.931) 9.631 16.942 ( -0.484 -4.342 -1.475) 4.611 17.045 ( -0.592 -4.464 -0.366) 4.518 17.280 ( -1.577 -6.418 -0.411) 6.621 17.540 ( 1.711 -0.034 3.521) 3.915 19.916 ( 3.520 -5.146 -4.917) 7.940 20.029 ( 8.172 1.723 2.347) 8.676 20.821 ( -0.432 9.032 2.001) 9.261 20.973 ( 0.971 2.925 -0.868) 3.202 22.019 ( -4.720 -7.924 2.081) 9.455 22.424 ( 1.516 -6.935 -1.188) 7.198 23.161 ( -1.702 8.410 3.002) 9.091 23.468 ( 1.616 3.698 -1.588) 4.336 27.078 ( 0.153 -12.264 1.081) 12.312 27.109 ( -0.917 -14.409 -1.802) 14.550 29.250 ( -1.352 17.321 -1.673) 17.454 29.604 ( 6.139 7.237 1.740) 9.648 30.486 ( -7.050 -14.555 -2.770) 16.407 30.672 ( -3.713 -1.986 0.908) 4.307 30.718 ( -4.412 -3.949 -1.847) 6.203 31.305 ( -0.450 -2.696 -2.759) 3.884 31.407 ( -0.156 -2.774 0.738) 2.875 31.928 ( 0.055 8.541 -0.276) 8.546 32.070 ( 2.815 9.579 -0.283) 9.989 32.541 ( 0.832 -8.411 0.218) 8.454 32.855 ( 1.366 -9.808 -0.881) 9.941 33.411 ( -4.830 2.414 3.292) 6.324 33.763 ( 24.706 8.917 -20.072) 33.057 34.101 ( 16.317 10.130 -15.497) 24.678 35.319 ( -1.778 -1.760 1.284) 2.812 35.461 ( -0.049 0.678 0.603) 0.908 35.563 ( -4.018 -1.367 7.630) 8.730 35.944 ( 2.069 0.019 -2.307) 3.099 36.190 ( 0.476 -4.134 1.576) 4.450 36.204 ( -0.797 -5.558 -3.483) 6.607 36.733 ( -31.468 -1.029 21.511) 38.132 38.821 ( 6.733 9.959 2.045) 12.194 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 3.616 -4.067 6.459) 8.446 2.133 ( -0.820 -8.078 2.803) 8.590 2.477 ( 1.655 -4.611 -0.984) 4.997 2.746 ( 8.919 0.046 2.228) 9.193 2.926 ( 6.510 -0.515 -10.510) 12.374 3.006 ( -6.622 -2.615 -10.860) 12.986 3.279 ( 2.297 9.388 -4.561) 10.687 3.430 ( 0.213 -3.287 0.109) 3.296 3.492 ( 0.484 -3.658 5.545) 6.661 3.619 ( 7.147 2.143 -13.560) 15.477 3.677 ( -0.268 0.337 6.274) 6.288 3.793 ( -3.407 0.226 1.261) 3.640 3.894 ( -1.496 -7.591 -5.016) 9.221 4.145 ( 2.478 -16.150 2.277) 16.497 4.344 ( 1.326 4.343 3.604) 5.798 4.383 ( -9.739 -0.619 -1.871) 9.936 4.662 ( 0.102 -6.141 -3.210) 6.930 4.906 ( 0.959 -3.149 5.008) 5.993 4.956 ( 3.243 -6.342 3.748) 8.049 5.125 ( -8.144 2.521 -3.511) 9.220 5.316 ( 5.347 -2.007 10.158) 11.654 5.575 ( -0.052 1.851 -6.288) 6.555 5.654 ( 1.955 -0.593 7.531) 7.803 5.832 ( -3.137 10.593 -0.499) 11.059 5.977 ( -8.032 0.308 -5.534) 9.759 6.053 ( -0.347 0.155 2.351) 2.382 6.275 ( 1.276 -9.476 -1.417) 9.667 6.545 ( -1.210 2.755 -0.873) 3.133 6.653 ( -0.340 14.094 3.583) 14.547 6.781 ( 1.188 3.607 -1.602) 4.122 7.794 ( 0.150 0.759 -1.538) 1.721 8.051 ( -3.609 7.543 -1.239) 8.454 8.197 ( 1.044 6.131 1.393) 6.374 8.488 ( 7.672 -5.319 2.463) 9.655 8.880 ( -3.693 -6.011 0.219) 7.058 8.992 ( 0.215 3.258 0.637) 3.327 9.207 ( -6.003 -5.414 0.909) 8.134 9.352 ( 1.244 1.042 0.890) 1.850 9.559 ( 4.051 5.606 2.586) 7.384 9.606 ( -1.010 1.470 -2.204) 2.835 9.774 ( -4.336 0.913 -5.498) 7.061 10.033 ( 8.313 -0.661 1.262) 8.434 10.182 ( 2.668 5.167 -0.004) 5.815 10.288 ( -4.392 6.289 -1.859) 7.893 10.541 ( 0.819 2.324 3.014) 3.893 10.914 ( 2.803 8.696 -3.197) 9.680 11.024 ( -1.043 1.561 4.120) 4.528 11.245 ( 0.592 -5.057 1.246) 5.241 11.520 ( 4.373 0.387 -0.271) 4.398 11.699 ( -5.240 1.212 0.495) 5.401 11.787 ( 9.236 4.461 1.478) 10.362 12.033 ( -4.692 -1.792 -4.258) 6.585 12.216 ( 2.288 -2.341 -1.193) 3.484 12.233 ( 1.383 8.961 -4.377) 10.068 12.376 ( 1.374 2.664 2.490) 3.896 12.541 ( -0.703 6.886 1.925) 7.185 12.656 ( -5.602 3.129 -4.327) 7.739 12.799 ( -0.232 -4.210 1.174) 4.377 13.285 ( 1.384 -1.524 0.813) 2.213 13.471 ( -6.099 -1.643 0.942) 6.386 13.552 ( 0.164 4.761 0.421) 4.782 14.024 ( 9.804 -3.098 6.409) 12.115 14.241 ( -10.589 -6.385 -9.319) 15.483 14.686 ( 4.333 6.343 -1.565) 7.839 14.952 ( -4.096 -12.154 1.898) 12.966 15.145 ( -3.104 -3.278 -0.016) 4.514 15.292 ( -2.762 -16.926 0.028) 17.150 15.368 ( -1.568 -11.431 -0.174) 11.540 16.064 ( 10.323 -0.862 -0.204) 10.361 16.391 ( -8.071 5.691 -3.126) 10.358 16.409 ( 3.428 2.676 2.543) 5.038 16.497 ( -2.701 -2.994 -0.499) 4.064 17.016 ( 0.810 -4.594 -1.793) 4.997 17.133 ( -0.034 -5.040 0.476) 5.062 17.377 ( 0.343 -4.386 -0.019) 4.399 17.552 ( -1.021 0.732 2.230) 2.559 20.050 ( 4.337 -5.447 -1.965) 7.234 20.062 ( 4.488 -2.675 -0.324) 5.234 20.640 ( -1.539 11.492 2.333) 11.827 20.876 ( 0.988 7.446 -1.594) 7.679 22.190 ( -3.524 -13.105 1.580) 13.663 22.581 ( 1.510 -9.852 -1.959) 10.158 22.988 ( -2.857 10.391 3.528) 11.339 23.371 ( 1.461 7.382 -1.764) 7.729 27.385 ( -0.571 -19.944 1.073) 19.981 27.407 ( -0.569 -20.417 -0.357) 20.428 28.875 ( -0.631 22.090 -0.613) 22.107 29.470 ( 5.353 12.174 -1.764) 13.415 30.687 ( -1.965 -8.342 -1.234) 8.659 30.741 ( -1.842 -8.335 1.468) 8.662 30.800 ( -4.093 -12.141 -0.487) 12.822 31.348 ( -0.018 -2.878 -0.669) 2.955 31.482 ( 0.557 -3.849 2.605) 4.681 31.756 ( -0.561 9.896 -0.625) 9.932 31.868 ( 0.861 12.785 -2.435) 13.043 32.709 ( 0.999 -9.282 -2.062) 9.561 33.064 ( 2.075 -12.139 -2.164) 12.504 33.332 ( -4.158 4.763 4.414) 7.711 33.626 ( 19.947 14.081 -15.019) 28.666 33.898 ( 4.955 12.725 -9.216) 16.475 35.354 ( -1.493 -2.218 1.945) 3.307 35.463 ( -0.604 -0.925 0.477) 1.203 35.604 ( -4.879 -1.972 8.018) 9.590 35.955 ( 2.963 -0.164 -2.258) 3.729 36.189 ( -0.090 -0.197 0.009) 0.217 36.346 ( -3.247 -3.527 5.564) 7.345 36.742 ( -14.559 -12.448 9.323) 21.303 38.614 ( 3.803 16.826 -2.284) 17.401 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -0.103 10.109 2.667) 10.455 2.268 ( 2.055 -23.572 1.786) 23.728 2.503 ( -0.104 4.506 4.337) 6.255 2.749 ( 2.883 8.817 0.653) 9.299 2.797 ( 3.752 1.562 -8.421) 9.350 3.071 ( 7.264 -1.127 -7.946) 10.825 3.156 ( -2.441 -6.397 -2.051) 7.148 3.437 ( -1.992 -0.196 -13.730) 13.875 3.520 ( -8.939 -2.737 1.600) 9.484 3.618 ( 1.726 5.937 7.991) 10.104 3.730 ( 0.681 -1.713 2.018) 2.734 3.868 ( 11.128 -4.083 2.413) 12.096 3.985 ( -3.158 -5.280 -2.100) 6.501 4.173 ( -3.346 9.853 -3.428) 10.956 4.322 ( -1.345 -0.026 3.477) 3.728 4.397 ( 3.077 -6.070 -3.579) 7.689 4.755 ( -3.524 -7.153 -7.603) 11.018 4.920 ( -2.472 6.736 -1.021) 7.247 5.008 ( -4.552 -5.277 -2.565) 7.426 5.157 ( 6.335 -6.389 7.343) 11.614 5.442 ( 1.176 -0.668 7.550) 7.670 5.554 ( -0.113 -1.869 -5.574) 5.880 5.583 ( -1.367 8.124 3.868) 9.101 5.713 ( -0.115 -0.919 4.283) 4.383 5.999 ( 2.500 -2.582 -3.622) 5.102 6.055 ( 0.085 -1.424 0.616) 1.554 6.403 ( -5.870 7.091 0.971) 9.257 6.464 ( -1.253 -0.078 -0.481) 1.345 6.471 ( 2.499 -1.536 0.404) 2.961 6.740 ( -0.764 1.041 -0.124) 1.297 7.790 ( 0.192 -0.872 -1.500) 1.746 7.904 ( -1.642 4.998 -0.551) 5.289 8.140 ( 2.535 3.039 4.849) 6.259 8.599 ( 2.799 -1.102 -1.646) 3.429 8.964 ( -1.249 -3.616 1.006) 3.956 8.987 ( -0.416 -2.230 1.487) 2.712 9.277 ( -3.791 -4.361 -1.211) 5.905 9.336 ( -1.193 2.044 2.064) 3.140 9.485 ( 3.350 7.419 0.345) 8.148 9.516 ( -0.551 2.345 0.158) 2.414 9.786 ( 1.796 -5.418 -1.724) 5.963 9.993 ( -1.482 8.552 -3.799) 9.475 10.096 ( 3.222 6.052 0.724) 6.895 10.192 ( -4.945 -4.083 -2.084) 6.742 10.500 ( 0.052 5.337 0.578) 5.369 10.745 ( 2.522 8.635 -3.831) 9.777 10.995 ( -2.533 2.070 3.985) 5.155 11.343 ( 0.036 -3.859 2.208) 4.447 11.494 ( 0.278 4.351 0.573) 4.398 11.639 ( -0.904 4.577 -1.900) 5.038 11.742 ( 3.889 5.578 -2.171) 7.139 11.935 ( -2.553 1.229 -5.416) 6.113 12.130 ( 1.064 -1.208 -0.282) 1.634 12.317 ( 0.612 4.474 4.026) 6.050 12.429 ( 0.610 -10.813 0.431) 10.839 12.489 ( 5.049 1.743 -0.944) 5.424 12.589 ( -6.071 -3.091 -1.195) 6.917 12.833 ( 0.128 3.972 0.317) 3.986 13.353 ( 0.889 3.076 3.169) 4.505 13.420 ( -1.252 -7.270 -0.179) 7.379 13.577 ( 0.518 -3.261 2.660) 4.240 13.950 ( -1.084 8.092 -1.857) 8.373 14.388 ( 3.248 -3.575 -4.565) 6.646 14.568 ( -0.168 2.950 3.864) 4.864 15.106 ( -2.477 -8.086 -0.854) 8.499 15.239 ( -0.933 -6.162 1.591) 6.432 15.440 ( -0.406 -2.408 0.451) 2.483 15.553 ( -0.900 -8.971 0.214) 9.019 16.133 ( 6.436 -0.407 1.127) 6.546 16.208 ( -5.703 6.434 -2.056) 8.840 16.329 ( -0.440 5.075 2.482) 5.666 16.705 ( 0.818 -15.234 -3.293) 15.607 17.091 ( 2.532 -3.231 -1.170) 4.268 17.217 ( -0.865 -4.397 0.289) 4.490 17.418 ( 1.094 1.338 1.502) 2.290 17.538 ( -2.473 -0.054 1.052) 2.688 20.101 ( 2.459 -2.951 0.172) 3.845 20.239 ( 3.758 -7.875 -3.251) 9.312 20.436 ( -1.955 9.465 3.021) 10.126 20.725 ( 0.584 8.564 -2.492) 8.938 22.423 ( -2.521 -14.164 0.684) 14.403 22.746 ( 2.596 -1.753 -0.330) 3.150 22.824 ( -3.925 0.716 2.049) 4.485 23.212 ( 1.119 10.248 -1.814) 10.467 27.751 ( 1.753 -20.739 0.274) 20.815 27.811 ( -2.040 -23.778 2.564) 24.003 28.464 ( 0.424 23.719 0.963) 23.742 29.246 ( 1.903 13.228 -7.220) 15.190 30.792 ( -1.874 -6.215 2.365) 6.909 30.881 ( 0.637 -7.525 2.048) 7.825 31.054 ( -0.173 -14.646 -1.642) 14.739 31.397 ( 1.615 -1.868 1.065) 2.689 31.533 ( 0.788 4.582 0.766) 4.712 31.584 ( -0.148 5.468 1.343) 5.632 31.645 ( -0.455 8.757 -1.962) 8.986 32.822 ( 2.204 -3.197 -7.394) 8.351 33.192 ( -1.849 3.318 0.122) 3.800 33.294 ( 2.485 -2.946 -0.570) 3.896 33.453 ( 10.635 6.591 -7.295) 14.483 33.658 ( -1.973 11.012 -3.389) 11.689 35.386 ( -1.571 -1.062 2.578) 3.200 35.484 ( -0.298 -1.326 0.334) 1.400 35.641 ( -5.559 -1.373 8.004) 9.842 35.963 ( 2.873 0.273 -3.019) 4.176 36.201 ( -0.824 -1.184 0.950) 1.727 36.352 ( -8.173 0.551 10.111) 13.013 37.024 ( 0.804 -19.015 1.606) 19.099 38.292 ( 1.808 18.135 -5.832) 19.135 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 7.537 17.765 8.652) 21.148 2.242 ( 3.563 19.978 6.494) 21.307 2.565 ( 11.022 6.944 -3.381) 13.459 2.706 ( -6.538 -2.001 -3.701) 7.775 2.855 ( 1.932 -6.498 -0.480) 6.796 3.108 ( -0.079 -6.674 1.228) 6.786 3.277 ( 6.979 -0.598 -3.635) 7.892 3.402 ( -9.035 4.386 -2.497) 10.349 3.417 ( -0.943 -3.459 -10.560) 11.152 3.577 ( -1.571 -3.681 7.996) 8.942 3.717 ( 3.201 9.841 2.635) 10.679 3.889 ( -3.464 1.419 -3.921) 5.421 3.964 ( -0.546 2.393 -2.583) 3.563 4.110 ( 5.010 -2.735 2.952) 6.426 4.375 ( 4.227 1.271 6.966) 8.247 4.437 ( -3.292 -3.038 -4.072) 6.054 4.748 ( -11.502 -4.198 -10.009) 15.815 4.907 ( 3.737 -3.376 2.804) 5.764 5.004 ( -2.586 -0.317 -3.852) 4.650 5.291 ( 3.164 0.550 3.571) 4.803 5.479 ( 0.129 -5.292 -7.329) 9.041 5.576 ( 3.352 -2.932 9.595) 10.578 5.624 ( 2.412 -3.841 0.356) 4.550 5.741 ( -0.922 -0.579 1.756) 2.066 5.949 ( -4.804 2.251 -2.640) 5.926 6.150 ( 2.610 -0.014 1.092) 2.829 6.252 ( -2.979 1.914 3.973) 5.322 6.373 ( -1.683 4.246 -0.268) 4.576 6.601 ( 1.637 -5.238 -3.984) 6.781 6.726 ( -2.342 -0.717 0.308) 2.469 7.804 ( -0.040 -1.307 -0.496) 1.399 7.852 ( 3.062 1.876 1.940) 4.081 8.174 ( 2.379 -0.203 5.031) 5.569 8.564 ( -0.806 3.365 -4.147) 5.401 8.982 ( -3.997 -0.628 -1.529) 4.325 9.044 ( 0.210 -2.978 0.865) 3.108 9.207 ( -6.408 2.716 -1.701) 7.165 9.340 ( 3.215 -0.148 2.437) 4.037 9.439 ( 4.526 2.427 4.187) 6.626 9.543 ( 1.580 -2.394 -1.004) 3.039 9.803 ( -3.249 6.192 -6.032) 9.235 9.853 ( -5.124 -2.541 -3.130) 6.520 10.114 ( 7.638 -4.628 3.937) 9.760 10.216 ( -1.573 1.582 -1.112) 2.493 10.399 ( -2.358 1.090 -0.036) 2.598 10.634 ( 3.427 5.630 -0.151) 6.592 10.981 ( -2.570 -0.482 3.951) 4.737 11.370 ( -2.188 2.808 0.737) 3.636 11.413 ( -2.492 3.316 0.739) 4.213 11.531 ( 1.594 2.456 0.013) 2.928 11.663 ( 1.632 3.462 -4.395) 5.828 11.926 ( 1.595 -0.266 1.665) 2.321 12.217 ( 0.810 -4.958 0.784) 5.085 12.266 ( 1.679 2.500 1.770) 3.493 12.500 ( 3.367 -1.447 -4.468) 5.778 12.580 ( -3.116 -5.758 -0.046) 6.548 12.640 ( -3.408 9.727 -2.733) 10.663 12.700 ( -1.678 -8.973 -0.453) 9.140 13.312 ( -2.379 2.356 2.884) 4.419 13.542 ( 0.615 -4.544 -2.178) 5.076 13.752 ( 8.478 -5.245 7.092) 12.235 13.802 ( -0.403 3.075 -0.019) 3.101 14.265 ( 0.056 10.020 0.703) 10.045 14.645 ( 1.431 -2.683 -0.239) 3.050 15.188 ( -3.142 -0.221 1.913) 3.685 15.306 ( 2.477 -3.953 -2.978) 5.535 15.512 ( -0.846 -6.194 1.846) 6.518 15.616 ( -4.867 -1.320 -2.614) 5.680 16.060 ( 0.150 5.101 1.832) 5.422 16.220 ( -0.415 3.783 0.891) 3.908 16.240 ( 4.513 1.058 3.588) 5.862 16.923 ( -2.598 -12.077 -7.899) 14.663 17.166 ( 5.679 -2.835 -1.210) 6.462 17.256 ( -3.263 -0.380 -0.907) 3.408 17.391 ( 1.821 2.455 4.033) 5.060 17.513 ( -3.116 1.538 -0.112) 3.477 20.149 ( -0.623 10.612 -1.295) 10.709 20.205 ( 2.312 -5.363 -0.991) 5.923 20.509 ( 2.201 -10.192 0.372) 10.434 20.559 ( -0.561 7.999 -2.987) 8.557 22.574 ( -1.817 5.079 2.841) 6.097 22.678 ( -2.584 -6.644 1.733) 7.336 22.991 ( 1.932 -10.542 -2.273) 10.956 23.015 ( 0.330 9.945 -1.055) 10.006 28.023 ( -0.024 18.588 0.130) 18.588 28.164 ( 5.773 -18.738 3.076) 19.847 28.249 ( -3.082 -20.461 3.166) 20.933 28.934 ( -4.470 14.220 -15.238) 21.316 30.894 ( 0.340 -2.725 4.094) 4.930 31.021 ( -0.895 -4.949 2.280) 5.522 31.217 ( 0.825 -4.759 -2.127) 5.278 31.319 ( -0.374 7.977 -2.218) 8.288 31.470 ( 1.140 3.499 0.251) 3.689 31.592 ( 2.429 -2.619 1.813) 4.006 31.608 ( 6.200 -2.595 5.146) 8.465 32.713 ( 3.497 10.054 -13.995) 17.584 33.070 ( -1.644 7.927 2.766) 8.555 33.293 ( 3.216 -0.176 -2.662) 4.179 33.443 ( -3.290 9.630 0.300) 10.181 33.577 ( 2.594 -10.518 -1.111) 10.890 35.394 ( -1.711 0.393 2.958) 3.440 35.498 ( 0.216 0.092 0.158) 0.283 35.651 ( -5.496 0.397 7.452) 9.268 35.955 ( 2.487 0.701 -3.773) 4.573 36.226 ( -2.108 -2.244 0.554) 3.129 36.353 ( -7.904 -1.322 10.659) 13.336 37.375 ( 4.531 -14.867 0.138) 15.543 37.979 ( 0.945 11.869 -6.567) 13.598 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 10.124 20.081 13.720) 26.344 1.969 ( 13.645 23.620 8.641) 28.614 2.483 ( 10.445 6.774 -6.848) 14.209 2.569 ( -6.749 8.231 4.174) 11.433 2.805 ( 6.184 5.836 -6.383) 10.632 2.998 ( -4.086 14.545 1.984) 15.238 3.333 ( -1.073 -1.138 -0.132) 1.570 3.372 ( 7.341 9.702 5.066) 13.179 3.516 ( -0.079 -2.322 -2.551) 3.451 3.554 ( 4.495 -9.741 4.315) 11.564 3.788 ( 3.773 -6.560 4.127) 8.620 3.878 ( -3.239 2.258 2.557) 4.704 3.932 ( -1.881 -6.105 -3.673) 7.369 4.168 ( -1.319 -0.082 0.627) 1.463 4.381 ( 4.527 4.675 2.162) 6.858 4.474 ( -4.989 -6.893 -4.050) 9.424 4.642 ( -14.076 -2.361 -8.397) 16.559 4.940 ( -3.979 -0.280 -2.409) 4.660 5.034 ( 0.465 -2.464 -1.575) 2.961 5.279 ( 0.296 2.848 -0.191) 2.870 5.512 ( -0.112 -3.431 -9.615) 10.210 5.659 ( 0.912 2.394 -2.391) 3.505 5.727 ( 0.703 -0.503 3.294) 3.406 5.776 ( 2.035 -5.411 5.531) 8.001 5.931 ( -6.378 -6.032 1.184) 8.857 6.061 ( -0.828 3.784 3.533) 5.243 6.264 ( -0.337 2.149 1.012) 2.399 6.383 ( 4.146 -4.364 3.220) 6.827 6.639 ( -0.782 -2.409 -5.370) 5.937 6.720 ( -2.233 -0.115 0.441) 2.279 7.837 ( -0.587 -2.596 0.565) 2.721 7.894 ( 7.614 0.448 3.532) 8.405 8.186 ( -3.716 0.871 1.252) 4.017 8.460 ( 1.496 4.595 -3.845) 6.175 8.937 ( -5.630 -0.779 -2.463) 6.195 9.084 ( 1.121 -1.146 -1.420) 2.142 9.156 ( -2.373 -0.875 1.295) 2.842 9.393 ( 2.366 -0.919 0.081) 2.539 9.497 ( 6.175 1.694 7.578) 9.921 9.563 ( -0.951 -3.216 -1.428) 3.645 9.690 ( -0.359 0.498 -5.237) 5.273 9.871 ( -2.813 -5.402 -2.281) 6.503 10.117 ( -1.802 5.574 4.335) 7.288 10.277 ( 5.694 -0.984 4.168) 7.125 10.414 ( -1.830 -1.634 -0.045) 2.454 10.614 ( 1.794 -2.971 -0.465) 3.502 11.017 ( -2.156 -3.451 2.290) 4.669 11.258 ( -2.741 4.594 -1.825) 5.652 11.367 ( -1.135 0.583 -0.454) 1.355 11.580 ( 2.322 -1.016 0.227) 2.544 11.632 ( 4.865 -1.303 3.719) 6.260 11.926 ( -0.766 3.649 4.873) 6.136 12.259 ( 2.437 1.145 -1.837) 3.259 12.312 ( 1.155 -3.668 -1.137) 4.010 12.355 ( -1.088 9.533 0.070) 9.595 12.556 ( -1.648 -4.894 -6.768) 8.513 12.705 ( 0.707 -7.682 1.161) 7.802 12.848 ( -4.505 -8.267 -1.828) 9.591 13.260 ( -2.008 2.517 2.442) 4.041 13.574 ( 0.079 -0.509 -4.188) 4.220 13.699 ( 3.922 5.701 6.122) 9.239 13.971 ( -1.063 0.894 1.100) 1.772 14.192 ( 7.073 -3.757 6.851) 10.539 14.638 ( 0.974 2.538 -2.995) 4.044 15.112 ( -0.456 6.540 3.826) 7.590 15.364 ( -6.599 0.419 -4.614) 8.063 15.478 ( 0.544 0.800 -2.185) 2.389 15.709 ( -3.135 -8.558 -0.453) 9.125 15.985 ( 0.491 9.741 3.198) 10.264 16.075 ( 4.080 5.571 2.522) 7.352 16.373 ( 2.147 -6.537 2.256) 7.240 16.983 ( -5.799 -4.503 -10.399) 12.729 17.139 ( -3.418 6.169 -2.986) 7.659 17.276 ( 5.228 -2.843 -2.754) 6.558 17.412 ( -0.942 3.793 -0.063) 3.909 17.433 ( -0.470 1.229 3.762) 3.985 19.954 ( 1.148 9.344 -1.034) 9.471 20.254 ( 5.457 4.759 -8.924) 11.492 20.474 ( -3.936 -4.655 3.033) 6.809 20.707 ( 1.809 -9.875 -0.672) 10.061 22.427 ( -1.867 10.052 6.587) 12.162 22.742 ( 0.473 5.703 -3.219) 6.565 22.884 ( -3.600 -2.764 1.876) 4.911 23.197 ( 1.539 -10.845 -2.510) 11.238 27.649 ( 1.213 21.585 1.806) 21.694 28.388 ( -13.111 12.843 -16.083) 24.403 28.629 ( -2.484 -21.279 1.336) 21.465 28.685 ( 8.956 -14.522 -1.687) 17.145 30.892 ( 0.476 5.010 2.342) 5.551 31.031 ( -3.981 1.924 0.037) 4.422 31.138 ( -0.398 7.205 0.553) 7.237 31.357 ( 5.494 -1.123 3.593) 6.660 31.477 ( -1.042 -4.968 -1.723) 5.360 31.587 ( -3.028 -3.306 1.174) 4.635 31.840 ( 13.809 -3.894 2.208) 14.517 32.493 ( 10.454 7.878 -11.029) 17.117 32.944 ( 2.903 7.792 2.904) 8.808 33.201 ( 1.534 11.514 -1.079) 11.665 33.382 ( -3.513 -4.323 1.196) 5.698 33.770 ( 1.512 -9.867 -1.799) 10.143 35.381 ( -1.578 1.413 3.065) 3.726 35.485 ( 0.488 1.565 -0.093) 1.642 35.627 ( -4.817 2.154 6.486) 8.361 35.939 ( 2.213 0.509 -3.826) 4.449 36.249 ( -3.060 -2.625 -1.141) 4.190 36.388 ( -7.493 -1.892 10.208) 12.803 37.442 ( -8.513 5.448 -1.384) 10.202 37.990 ( 8.940 -11.650 -1.310) 14.743 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 2.006 0.000 -1.591) 2.560 2.244 ( -1.702 -0.000 4.147) 4.483 2.402 ( 7.817 0.000 12.026) 14.343 2.537 ( -2.817 -0.000 -3.305) 4.343 2.907 ( 2.195 0.000 -7.967) 8.264 2.949 ( 4.018 0.000 -11.169) 11.870 3.309 ( 3.006 0.000 -1.398) 3.315 3.318 ( 12.790 0.000 -6.928) 14.546 3.490 ( 1.028 0.000 4.516) 4.631 3.567 ( -0.873 -0.000 -0.240) 0.905 3.655 ( 11.438 0.000 0.619) 11.454 3.748 ( -0.434 -0.000 -2.065) 2.111 3.858 ( -3.433 -0.000 -16.424) 16.779 3.918 ( -7.948 -0.000 -0.050) 7.948 4.256 ( -2.730 -0.000 9.265) 9.659 4.378 ( -1.407 -0.000 0.435) 1.473 4.511 ( -11.150 -0.000 1.212) 11.215 4.832 ( 0.400 0.000 4.603) 4.620 5.019 ( -1.047 -0.000 -0.928) 1.399 5.074 ( 5.911 0.000 9.161) 10.903 5.329 ( 4.163 0.000 1.834) 4.549 5.594 ( -4.509 -0.000 -3.594) 5.766 5.696 ( 0.101 0.000 6.996) 6.997 5.779 ( -11.056 -0.000 -2.033) 11.242 5.988 ( 0.524 0.000 -0.795) 0.952 6.092 ( -3.803 -0.000 -9.134) 9.894 6.257 ( -2.970 -0.000 3.884) 4.889 6.560 ( -2.899 -0.000 1.105) 3.102 6.903 ( 0.218 0.000 0.603) 0.641 6.986 ( 5.153 0.000 -0.561) 5.183 7.857 ( 2.218 0.000 -0.484) 2.270 8.192 ( 6.843 0.000 4.280) 8.072 8.345 ( 1.916 0.000 1.457) 2.407 8.384 ( -4.600 -0.000 -1.675) 4.895 8.779 ( -10.113 -0.000 -2.329) 10.378 8.964 ( -3.204 -0.000 0.449) 3.235 9.262 ( -0.500 -0.000 0.694) 0.855 9.379 ( 3.572 0.000 0.609) 3.624 9.556 ( -1.393 -0.000 -1.284) 1.894 9.648 ( 3.509 0.000 -2.854) 4.524 9.817 ( -3.196 -0.000 -1.754) 3.646 10.006 ( 6.050 0.000 1.560) 6.248 10.288 ( 10.521 0.000 2.879) 10.908 10.301 ( -0.224 -0.000 -0.774) 0.806 10.691 ( -2.623 -0.000 2.355) 3.525 11.024 ( -2.811 -0.000 6.206) 6.813 11.106 ( 2.246 0.000 -3.771) 4.389 11.143 ( 2.216 0.000 -0.759) 2.343 11.494 ( 1.007 0.000 -0.470) 1.111 11.725 ( -1.263 -0.000 -5.030) 5.186 11.874 ( 2.745 0.000 9.176) 9.578 11.929 ( 3.972 0.000 3.959) 5.608 12.251 ( -8.500 -0.000 -4.212) 9.486 12.338 ( -3.027 -0.000 -2.525) 3.942 12.407 ( -4.745 -0.000 -3.562) 5.933 12.763 ( -0.978 -0.000 3.709) 3.836 12.860 ( 6.768 0.000 -15.991) 17.364 12.971 ( 6.932 0.000 0.892) 6.990 13.356 ( 2.033 0.000 5.930) 6.269 13.412 ( -5.709 -0.000 -1.810) 5.989 13.579 ( 5.064 0.000 2.809) 5.791 13.738 ( 0.242 0.000 1.186) 1.210 14.324 ( -13.781 -0.000 -7.661) 15.768 14.491 ( 0.496 0.000 -1.085) 1.193 14.544 ( 0.999 0.000 -2.390) 2.591 14.878 ( -5.848 -0.000 3.202) 6.667 15.024 ( 0.420 0.000 0.179) 0.457 15.271 ( 0.259 0.000 -1.622) 1.643 15.873 ( 9.376 0.000 -0.343) 9.382 16.464 ( 4.368 0.000 -0.628) 4.413 16.599 ( -6.216 -0.000 -0.715) 6.257 16.672 ( -4.850 -0.000 0.326) 4.861 16.902 ( 0.660 0.000 0.034) 0.660 16.981 ( -0.188 -0.000 -0.506) 0.540 17.196 ( -0.861 -0.000 0.024) 0.861 17.567 ( 0.201 0.000 2.448) 2.456 19.877 ( 3.909 0.000 -2.655) 4.726 20.119 ( 5.386 0.000 2.615) 5.987 20.938 ( 0.169 0.000 1.268) 1.279 20.982 ( 0.351 0.000 0.392) 0.526 21.923 ( -3.748 -0.000 1.208) 3.938 22.360 ( 1.087 0.000 -1.715) 2.031 23.243 ( -1.860 -0.000 1.852) 2.625 23.503 ( 1.320 0.000 -1.594) 2.070 26.968 ( 0.123 0.000 0.152) 0.196 26.970 ( 0.160 0.000 0.021) 0.161 29.427 ( 0.419 0.000 -0.703) 0.818 29.695 ( 2.733 0.000 -0.646) 2.808 30.271 ( -3.979 -0.000 -2.369) 4.631 30.640 ( -2.775 -0.000 2.047) 3.448 30.646 ( -2.604 -0.000 -0.331) 2.625 31.270 ( 1.166 0.000 -1.140) 1.631 31.385 ( -0.059 -0.000 1.779) 1.780 32.020 ( 0.394 0.000 -0.812) 0.903 32.190 ( 2.125 0.000 0.007) 2.125 32.453 ( -0.068 -0.000 -1.293) 1.295 32.743 ( 0.143 0.000 -2.644) 2.648 33.421 ( -4.085 -0.000 4.652) 6.190 33.875 ( 12.673 0.000 -13.474) 18.497 34.258 ( 26.905 0.000 -29.713) 40.084 35.294 ( -1.512 -0.000 0.940) 1.780 35.480 ( 1.007 0.000 -0.280) 1.045 35.564 ( -3.984 -0.000 7.632) 8.609 35.931 ( 1.270 0.000 -4.133) 4.323 36.106 ( -1.657 -0.000 6.921) 7.116 36.195 ( 0.788 0.000 0.303) 0.845 36.621 ( -28.993 -0.000 23.002) 37.009 38.958 ( 2.658 0.000 0.260) 2.670 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -2.169 -5.989 -3.911) 7.474 2.113 ( -2.932 12.760 2.331) 13.299 2.319 ( -4.708 -8.225 0.888) 9.518 2.689 ( 0.329 -12.482 -0.211) 12.488 2.807 ( 5.531 1.283 -11.396) 12.732 3.091 ( 5.870 10.136 -5.822) 13.080 3.296 ( 2.641 -7.788 -3.047) 8.770 3.400 ( 6.202 1.178 -7.885) 10.101 3.531 ( 0.383 0.730 3.303) 3.404 3.620 ( -3.289 -7.900 -0.265) 8.561 3.649 ( 3.740 3.938 -14.697) 15.668 3.760 ( 2.473 -2.018 -4.301) 5.356 3.848 ( 3.425 -9.992 6.254) 12.275 3.924 ( 5.279 1.396 11.529) 12.756 4.283 ( -8.353 -0.946 0.743) 8.439 4.401 ( -0.163 -1.776 6.872) 7.100 4.508 ( -6.362 -6.434 -2.573) 9.407 4.864 ( 0.425 -1.869 1.448) 2.402 4.956 ( 0.364 2.777 -0.596) 2.864 5.087 ( -6.452 0.689 -1.073) 6.577 5.445 ( 7.307 0.366 16.500) 18.049 5.525 ( -5.013 -0.118 -6.708) 8.375 5.711 ( 1.174 -0.232 4.663) 4.814 5.804 ( -2.284 -6.034 1.479) 6.620 5.943 ( -3.454 3.286 -8.488) 9.735 6.032 ( -3.668 -2.660 -7.775) 8.999 6.215 ( 0.127 3.074 4.130) 5.150 6.542 ( -2.508 -0.082 -2.311) 3.411 6.864 ( 1.042 6.165 3.468) 7.149 6.920 ( 2.308 9.016 -1.412) 9.413 7.834 ( 1.015 2.696 -0.545) 2.931 8.159 ( -2.680 6.748 -1.870) 7.497 8.324 ( 1.115 4.665 2.427) 5.375 8.424 ( 1.790 -6.066 1.644) 6.535 8.770 ( -0.664 -3.601 2.948) 4.701 8.983 ( -2.136 -3.471 0.874) 4.168 9.185 ( -0.930 5.701 0.815) 5.834 9.389 ( 1.353 0.961 -0.071) 1.661 9.574 ( -1.877 -1.563 -2.782) 3.702 9.630 ( 1.227 1.186 -3.964) 4.316 9.783 ( -0.200 0.960 -0.769) 1.247 10.038 ( 0.437 -1.555 -2.871) 3.294 10.259 ( 1.594 3.353 1.713) 4.089 10.404 ( 7.192 1.357 -0.895) 7.373 10.575 ( -8.721 5.881 0.495) 10.531 11.017 ( -1.777 2.528 -0.555) 3.139 11.056 ( -1.764 2.108 -1.369) 3.071 11.189 ( 2.355 -2.812 1.553) 3.983 11.500 ( -0.123 -2.181 -2.961) 3.679 11.680 ( -2.382 1.229 -3.572) 4.466 11.927 ( -0.061 1.836 7.885) 8.096 11.983 ( 0.367 -1.268 -1.244) 1.814 12.137 ( 1.502 0.437 -1.164) 1.950 12.376 ( -1.933 -4.068 -0.859) 4.585 12.447 ( 7.843 1.716 3.622) 8.808 12.596 ( -3.381 14.005 -12.285) 18.933 12.782 ( 2.758 2.362 3.948) 5.364 12.858 ( 3.795 13.271 0.862) 13.830 13.311 ( 0.466 2.860 1.029) 3.075 13.404 ( -3.609 -2.067 3.149) 5.217 13.661 ( -0.739 4.083 -1.475) 4.403 13.856 ( -0.610 -15.534 -0.192) 15.547 14.198 ( 1.464 4.178 -0.268) 4.435 14.601 ( 1.018 -12.223 -1.754) 12.390 14.753 ( 0.655 -12.262 -3.146) 12.676 14.953 ( -2.888 -13.371 4.512) 14.404 15.077 ( -0.574 -3.667 -0.097) 3.713 15.245 ( 0.788 -0.911 0.094) 1.209 16.025 ( 6.580 -8.804 -1.262) 11.063 16.421 ( -1.620 5.076 -3.110) 6.170 16.469 ( -2.905 6.764 0.385) 7.372 16.589 ( -1.895 6.221 1.314) 6.635 16.937 ( 1.888 -3.806 -0.414) 4.268 17.046 ( 0.148 -5.142 0.225) 5.149 17.267 ( -0.148 -6.750 0.358) 6.761 17.565 ( -1.867 0.537 1.052) 2.209 19.945 ( 4.283 -5.045 -0.937) 6.684 20.131 ( 1.590 2.538 1.347) 3.284 20.832 ( -1.075 9.415 1.915) 9.668 20.980 ( 0.891 3.377 -0.561) 3.537 21.976 ( -3.101 -8.082 0.935) 8.707 22.422 ( 0.870 -6.975 -2.449) 7.444 23.157 ( -2.472 8.179 2.075) 8.792 23.469 ( 1.031 3.688 -2.043) 4.340 27.087 ( -0.444 -12.773 0.962) 12.817 27.099 ( 0.686 -13.265 -0.006) 13.283 29.241 ( 1.087 17.820 0.615) 17.864 29.644 ( 0.202 6.461 -3.965) 7.583 30.414 ( 1.064 -15.453 -0.408) 15.495 30.653 ( -1.219 -2.367 2.985) 3.999 30.675 ( -0.717 -3.476 1.783) 3.972 31.306 ( 2.112 -2.352 1.074) 3.338 31.428 ( -0.269 -3.278 2.546) 4.159 31.922 ( -0.013 8.835 -1.043) 8.897 32.084 ( 0.670 11.079 -2.004) 11.278 32.527 ( -0.654 -8.618 -2.908) 9.118 32.845 ( 0.375 -11.032 -3.016) 11.443 33.399 ( -2.968 2.584 5.373) 6.660 33.842 ( 10.450 5.631 -10.663) 15.957 34.146 ( 19.976 13.724 -28.784) 37.629 35.312 ( -1.005 -2.199 1.398) 2.793 35.464 ( -0.235 1.322 0.430) 1.410 35.583 ( -4.235 -1.084 6.842) 8.120 35.951 ( 2.780 -1.871 -3.214) 4.643 36.183 ( -0.354 -1.595 2.279) 2.804 36.256 ( 2.235 -6.581 5.270) 8.722 36.556 ( -22.808 -2.647 21.921) 31.745 38.860 ( -0.614 10.307 -3.859) 11.023 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -5.565 -8.823 2.241) 10.669 2.199 ( -1.100 -7.761 8.988) 11.926 2.433 ( -1.806 -8.309 -5.325) 10.033 2.781 ( -6.024 0.248 -7.894) 9.934 2.914 ( 6.738 -8.530 -6.903) 12.877 2.962 ( 12.396 3.152 -2.911) 13.117 3.176 ( -9.374 6.437 -5.422) 12.597 3.403 ( 8.934 2.597 -7.257) 11.799 3.432 ( -2.160 3.506 -4.481) 6.086 3.666 ( 1.501 -0.135 -4.574) 4.816 3.737 ( 8.342 -8.037 3.624) 12.137 3.814 ( 0.785 -5.057 -6.783) 8.497 4.001 ( 5.925 6.579 14.117) 16.663 4.168 ( -2.652 -16.203 1.271) 16.468 4.196 ( -7.287 1.497 -4.075) 8.482 4.401 ( -1.574 3.043 0.027) 3.426 4.565 ( -4.717 -5.149 -0.669) 7.015 4.872 ( -5.231 -2.724 -0.950) 5.973 4.989 ( -2.823 1.541 2.864) 4.307 5.071 ( 3.494 -6.433 1.957) 7.577 5.475 ( -2.107 -2.175 -4.659) 5.556 5.554 ( 1.430 0.270 12.753) 12.836 5.709 ( -2.243 5.389 0.059) 5.838 5.789 ( 2.196 5.144 -0.303) 5.601 5.928 ( 1.310 -4.470 -1.475) 4.886 6.029 ( -0.395 -3.100 -0.529) 3.170 6.246 ( -0.631 -5.705 -3.465) 6.705 6.494 ( -1.331 1.675 -3.847) 4.402 6.676 ( -1.632 13.420 2.739) 13.793 6.815 ( 2.658 5.749 2.085) 6.668 7.807 ( 0.927 1.056 1.539) 2.084 8.008 ( 0.580 6.767 -1.468) 6.949 8.255 ( 2.040 4.921 3.235) 6.232 8.517 ( -4.854 -4.594 -1.921) 6.954 8.873 ( 1.561 -3.614 2.132) 4.477 9.034 ( 2.574 0.508 3.764) 4.588 9.150 ( -1.575 -3.628 0.248) 3.963 9.375 ( -0.124 1.213 0.888) 1.509 9.511 ( -4.212 2.485 -3.804) 6.196 9.613 ( 2.655 0.415 -2.034) 3.370 9.779 ( 3.645 0.492 0.156) 3.681 10.028 ( -5.166 -0.390 -6.235) 8.106 10.199 ( 1.599 5.766 -0.214) 5.987 10.236 ( -0.641 11.375 -0.467) 11.403 10.521 ( -4.088 -0.688 -0.887) 4.240 10.869 ( -0.597 7.905 -6.229) 10.082 11.029 ( -3.543 0.886 2.704) 4.544 11.282 ( 1.395 -4.321 2.758) 5.313 11.551 ( 3.932 -1.795 -2.944) 5.230 11.607 ( -6.541 0.437 -0.572) 6.580 11.829 ( -6.316 3.545 -3.527) 8.056 12.017 ( 10.060 8.389 -2.409) 13.318 12.170 ( -2.238 3.743 -5.394) 6.937 12.259 ( 2.380 -2.647 1.140) 3.737 12.398 ( -3.139 -0.274 2.166) 3.824 12.537 ( 1.905 2.561 3.204) 4.522 12.649 ( 3.508 9.837 0.393) 10.451 12.849 ( 1.706 -1.631 2.857) 3.706 13.353 ( 3.884 -3.677 3.883) 6.610 13.407 ( -3.257 0.737 0.782) 3.430 13.580 ( 1.261 2.232 2.298) 3.442 13.936 ( -11.153 -2.880 -10.006) 15.258 14.313 ( 13.955 -5.799 8.029) 17.112 14.694 ( 0.111 4.297 -3.669) 5.651 14.917 ( -2.565 -9.917 1.591) 10.366 15.116 ( -0.215 -6.718 1.026) 6.799 15.289 ( 0.723 -14.384 0.849) 14.427 15.388 ( 2.338 -10.431 2.318) 10.938 16.146 ( -3.002 1.515 -2.741) 4.339 16.282 ( 3.145 2.666 -2.366) 4.754 16.424 ( -5.841 -1.779 -0.448) 6.122 16.501 ( 5.558 1.291 2.290) 6.149 17.040 ( 3.185 -4.731 0.449) 5.721 17.132 ( -0.750 -4.549 0.145) 4.613 17.391 ( 0.805 -5.476 0.871) 5.603 17.535 ( -2.937 1.018 0.358) 3.129 20.097 ( 2.636 -4.314 -0.043) 5.056 20.101 ( 0.941 -3.118 -0.123) 3.259 20.640 ( -1.797 11.774 2.233) 12.118 20.871 ( 1.011 8.198 -1.828) 8.461 22.156 ( -2.568 -13.318 0.630) 13.578 22.574 ( 1.249 -10.490 -2.927) 10.962 22.975 ( -3.305 10.266 2.814) 11.146 23.365 ( 0.965 7.287 -2.384) 7.728 27.391 ( -2.132 -20.503 1.781) 20.690 27.426 ( 3.765 -20.294 1.413) 20.688 28.895 ( 1.809 22.304 1.937) 22.461 29.429 ( -2.958 12.336 -7.833) 14.909 30.689 ( 1.822 -7.820 2.532) 8.419 30.775 ( -0.861 -9.372 3.369) 9.996 30.789 ( 4.207 -10.915 2.438) 11.949 31.387 ( 3.310 -2.721 3.004) 5.233 31.505 ( -1.790 -3.886 2.737) 5.079 31.742 ( 0.073 9.704 -1.300) 9.791 31.848 ( 0.876 13.110 -3.305) 13.549 32.664 ( -0.888 -9.058 -6.105) 10.959 33.046 ( -0.200 -12.149 -2.992) 12.514 33.349 ( -1.154 4.292 5.365) 6.967 33.708 ( 13.567 13.460 -16.265) 25.095 33.828 ( 2.199 13.655 -13.390) 19.250 35.359 ( -0.962 -2.357 2.227) 3.382 35.458 ( -0.810 -0.916 0.675) 1.396 35.612 ( -4.612 -1.750 6.147) 7.882 35.977 ( 2.898 -0.054 -1.767) 3.395 36.200 ( 0.152 0.281 2.543) 2.563 36.348 ( -7.614 -0.271 8.717) 11.577 36.734 ( -2.121 -16.558 12.630) 20.933 38.569 ( -1.861 16.400 -8.037) 18.358 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 2.313 -6.605 5.130) 8.677 2.377 ( -9.718 -10.347 5.000) 15.049 2.593 ( 11.257 -5.988 9.399) 15.840 2.637 ( 1.992 3.239 -9.799) 10.510 2.870 ( -5.359 7.019 -0.850) 8.872 3.088 ( 2.106 -8.216 -5.298) 10.000 3.122 ( 7.864 -5.443 -4.758) 10.682 3.250 ( -3.241 5.378 -9.890) 11.714 3.512 ( 5.281 0.724 4.618) 7.053 3.632 ( 0.972 0.998 -4.344) 4.562 3.814 ( 1.937 2.436 -1.089) 3.297 3.890 ( -4.322 6.860 0.102) 8.109 3.958 ( -1.395 -5.403 -7.744) 9.545 4.084 ( 1.690 -0.250 0.273) 1.730 4.305 ( -6.358 -3.455 -0.369) 7.245 4.394 ( 0.987 -3.920 -8.734) 9.624 4.603 ( -5.241 -1.494 6.666) 8.610 4.877 ( -6.905 -2.094 5.173) 8.879 4.967 ( 3.973 -0.319 -2.124) 4.517 5.227 ( 1.259 -6.635 -4.506) 8.119 5.526 ( 1.664 -3.781 -0.295) 4.141 5.570 ( 2.452 6.720 7.530) 10.386 5.637 ( 1.991 1.236 3.152) 3.927 5.745 ( -0.570 0.547 3.038) 3.139 5.913 ( -6.263 -0.220 -3.905) 7.384 6.148 ( 5.599 -3.716 4.834) 8.278 6.281 ( -3.897 -0.099 -6.485) 7.566 6.427 ( 0.134 2.991 -2.441) 3.863 6.531 ( -0.172 1.889 4.322) 4.720 6.757 ( 1.233 3.379 1.849) 4.045 7.823 ( 1.470 0.276 2.954) 3.311 7.933 ( 4.479 3.195 0.828) 5.564 8.233 ( 2.388 2.293 3.436) 4.772 8.499 ( -9.047 -2.325 -5.016) 10.603 8.923 ( 0.531 -1.616 -0.844) 1.899 9.061 ( 2.759 1.483 4.055) 5.124 9.191 ( -3.176 -0.512 -1.015) 3.373 9.369 ( 1.080 0.030 1.215) 1.626 9.454 ( -1.923 -1.764 -0.059) 2.610 9.585 ( 2.877 3.565 -3.414) 5.714 9.828 ( 1.898 0.486 0.219) 1.971 9.856 ( -4.397 7.773 -4.556) 10.026 10.120 ( 1.967 -0.808 0.070) 2.128 10.183 ( 1.016 -2.002 -0.782) 2.378 10.435 ( -4.471 5.320 -0.880) 7.005 10.725 ( -0.102 4.438 -4.427) 6.269 10.998 ( -2.574 1.569 3.883) 4.916 11.375 ( -0.278 -2.423 2.969) 3.842 11.468 ( -3.915 5.127 0.483) 6.469 11.612 ( 2.698 2.739 -0.452) 3.871 11.704 ( -3.528 4.195 -5.532) 7.787 11.869 ( 0.395 -1.732 -8.634) 8.815 12.199 ( 6.306 -0.534 3.687) 7.324 12.354 ( -2.496 0.905 0.038) 2.656 12.404 ( -1.796 -5.574 2.733) 6.462 12.523 ( -0.394 -0.887 0.842) 1.285 12.561 ( 3.645 2.401 -0.069) 4.366 12.812 ( -1.559 7.442 -2.371) 7.965 13.342 ( -2.980 1.812 3.133) 4.688 13.484 ( 3.402 -2.911 0.391) 4.494 13.697 ( 7.286 -8.169 5.590) 12.291 13.834 ( -5.288 0.341 -6.277) 8.215 14.464 ( 2.678 9.301 1.934) 9.870 14.592 ( 1.562 -3.479 2.122) 4.364 15.070 ( -0.904 -8.182 0.126) 8.232 15.247 ( -0.548 -6.302 1.532) 6.509 15.437 ( 0.494 -2.766 -0.723) 2.901 15.567 ( 1.803 -3.465 0.273) 3.916 16.026 ( -6.572 -0.278 -0.622) 6.607 16.291 ( 2.131 3.029 0.449) 3.730 16.386 ( 3.362 2.071 2.161) 4.502 16.655 ( 2.143 -10.296 -3.722) 11.156 17.137 ( 1.604 -3.651 0.921) 4.092 17.203 ( 0.424 -3.290 -0.699) 3.390 17.454 ( 0.674 0.286 2.597) 2.698 17.500 ( -2.866 0.194 -0.250) 2.883 20.116 ( -1.189 -3.709 0.601) 3.941 20.257 ( 3.168 -3.285 -3.259) 5.608 20.451 ( -0.915 6.003 3.707) 7.114 20.703 ( 0.919 9.640 -3.155) 10.184 22.386 ( -2.683 -13.703 0.018) 13.963 22.770 ( 2.738 -8.992 -3.140) 9.911 22.799 ( -3.553 6.145 4.530) 8.420 23.205 ( 1.138 9.860 -2.195) 10.165 27.769 ( -4.079 -22.934 1.184) 23.324 27.867 ( 8.532 -21.375 3.807) 23.328 28.512 ( 2.435 23.594 3.081) 23.919 29.080 ( -7.099 15.927 -11.962) 21.146 30.827 ( 0.707 -6.296 3.870) 7.424 30.947 ( 2.200 -6.776 5.574) 9.045 31.057 ( 2.132 -10.997 -0.886) 11.236 31.430 ( 0.018 4.256 1.654) 4.566 31.545 ( -3.497 -1.313 2.351) 4.414 31.603 ( -0.691 8.279 -1.137) 8.385 31.683 ( 10.823 0.901 0.082) 10.861 32.716 ( -0.521 -1.775 -13.724) 13.848 33.167 ( -1.420 0.405 -0.444) 1.542 33.311 ( 1.537 1.048 -3.045) 3.568 33.447 ( -0.911 3.975 -6.677) 7.824 33.631 ( 3.507 8.996 -2.046) 9.870 35.393 ( -1.548 -0.931 2.738) 3.281 35.485 ( -0.362 -1.674 0.534) 1.794 35.639 ( -4.953 -1.388 6.081) 7.965 35.978 ( 2.890 1.187 -2.221) 3.833 36.207 ( -0.519 0.405 2.662) 2.743 36.331 ( -9.265 -0.226 10.443) 13.962 37.130 ( 6.558 -18.059 5.653) 20.027 38.198 ( -1.822 16.822 -10.008) 19.658 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 11.395 13.259 6.238) 18.562 2.441 ( 6.963 14.524 0.001) 16.107 2.541 ( -8.290 -10.067 3.345) 13.463 2.680 ( 5.751 7.522 -2.490) 9.790 2.985 ( 1.185 -5.128 9.077) 10.493 3.040 ( -1.131 10.162 -6.573) 12.155 3.179 ( -5.827 -11.999 -5.195) 14.315 3.287 ( 5.955 -5.650 -6.942) 10.750 3.449 ( 4.601 5.845 2.583) 7.874 3.646 ( 1.085 -6.291 -3.701) 7.379 3.772 ( -0.891 2.209 -1.908) 3.052 3.810 ( -3.302 -2.754 0.522) 4.331 3.950 ( 5.431 1.233 3.235) 6.441 4.163 ( -0.646 0.065 -1.397) 1.541 4.308 ( -7.827 -7.431 -4.621) 11.740 4.370 ( 0.332 2.290 -3.280) 4.014 4.601 ( -4.070 1.537 6.830) 8.097 4.914 ( -3.447 -2.547 1.804) 4.650 5.007 ( 2.507 0.226 -0.223) 2.527 5.268 ( -1.249 -6.934 -14.627) 16.235 5.481 ( 4.367 8.795 4.788) 10.925 5.636 ( -1.597 -6.963 2.332) 7.515 5.681 ( 2.547 -0.785 1.150) 2.902 5.775 ( -1.198 0.394 5.032) 5.188 5.835 ( -6.257 0.246 -0.199) 6.265 6.147 ( -2.553 5.174 -2.922) 6.468 6.278 ( 1.646 -2.628 3.841) 4.936 6.388 ( 2.783 0.376 -0.578) 2.867 6.556 ( -2.426 -1.590 -0.050) 2.901 6.742 ( 2.211 1.211 1.596) 2.984 7.836 ( 0.708 0.393 1.568) 1.764 7.972 ( 7.562 -0.178 2.397) 7.935 8.200 ( -3.777 2.873 1.272) 4.913 8.443 ( -5.284 -1.323 -4.552) 7.099 8.931 ( 2.726 2.148 0.188) 3.476 9.069 ( -0.557 -0.071 0.118) 0.574 9.141 ( -2.736 0.835 -0.655) 2.935 9.385 ( 1.044 -0.302 0.261) 1.118 9.517 ( 0.767 -3.146 -4.619) 5.641 9.537 ( 2.650 0.099 -3.885) 4.704 9.744 ( -2.070 0.033 1.636) 2.639 9.757 ( -0.692 3.855 4.759) 6.163 10.240 ( -0.249 -2.286 1.951) 3.015 10.276 ( 7.729 -5.959 0.784) 9.791 10.319 ( -3.002 1.959 -0.192) 3.590 10.624 ( -2.638 3.066 -2.955) 5.009 10.985 ( -2.110 0.036 3.089) 3.741 11.332 ( -1.118 4.680 -0.370) 4.826 11.392 ( -1.946 2.677 2.000) 3.867 11.576 ( -0.540 0.801 -4.393) 4.498 11.660 ( 4.798 -1.809 3.450) 6.181 11.919 ( -1.313 -4.499 -3.015) 5.572 12.266 ( 3.188 -0.831 0.992) 3.441 12.309 ( 1.005 2.813 1.134) 3.195 12.451 ( -3.405 -1.654 -2.457) 4.513 12.534 ( 0.260 4.182 -2.896) 5.093 12.605 ( 0.894 2.237 0.112) 2.412 12.672 ( -1.588 -7.388 0.994) 7.622 13.298 ( -2.848 2.331 1.729) 4.066 13.548 ( 1.913 -1.340 -0.507) 2.390 13.784 ( -0.428 -0.358 -0.200) 0.593 13.945 ( 5.257 -7.625 1.545) 9.390 14.273 ( -3.014 7.894 3.051) 8.984 14.662 ( 2.612 0.829 -1.911) 3.341 15.165 ( -2.197 -1.632 3.020) 4.076 15.340 ( 2.220 -0.506 0.552) 2.343 15.485 ( -3.546 -7.265 -1.089) 8.157 15.521 ( -0.770 3.129 -1.909) 3.745 16.089 ( -1.067 -2.572 2.666) 3.855 16.183 ( -2.037 5.222 0.841) 5.668 16.414 ( 7.536 2.373 2.465) 8.276 16.781 ( -1.728 -6.277 -7.464) 9.904 17.188 ( -3.320 1.519 -0.942) 3.771 17.239 ( 4.539 -2.943 -0.242) 5.415 17.448 ( -3.592 2.806 -1.615) 4.836 17.472 ( 1.517 0.073 4.405) 4.660 20.134 ( 1.120 10.068 -1.786) 10.286 20.218 ( 0.370 -6.636 -0.415) 6.659 20.503 ( -0.623 6.301 -2.865) 6.950 20.561 ( 2.393 -5.844 0.235) 6.319 22.569 ( -2.190 -5.356 1.928) 6.099 22.656 ( -2.862 3.902 2.814) 5.598 22.987 ( 1.198 -8.381 -2.249) 8.760 23.023 ( 1.867 7.029 -1.246) 7.379 28.044 ( 0.831 10.363 2.042) 10.595 28.214 ( -3.745 -12.862 0.745) 13.417 28.327 ( 6.715 -10.088 2.842) 12.447 28.665 ( -3.985 11.804 -11.266) 16.797 30.956 ( 0.160 -3.263 4.101) 5.244 31.010 ( -2.947 2.048 1.717) 3.978 31.222 ( 0.971 -4.245 -0.378) 4.371 31.323 ( 1.920 2.872 -0.434) 3.482 31.485 ( 0.748 3.085 1.194) 3.391 31.539 ( -4.919 -0.362 1.017) 5.036 31.865 ( 11.234 -4.954 -0.655) 12.296 32.587 ( 4.794 3.664 -14.822) 16.003 33.081 ( -0.378 4.868 1.673) 5.161 33.297 ( -0.795 -1.663 -0.599) 1.938 33.398 ( -0.555 7.210 -0.956) 7.294 33.604 ( 1.711 -6.590 -0.809) 6.856 35.402 ( -1.866 0.270 3.042) 3.579 35.502 ( -0.065 -0.049 0.118) 0.143 35.647 ( -5.026 0.172 6.418) 8.154 35.960 ( 3.073 1.547 -3.165) 4.674 36.208 ( -1.244 0.068 1.502) 1.951 36.343 ( -8.851 -2.108 10.807) 14.127 37.440 ( 2.637 -4.826 -1.047) 5.599 37.921 ( 2.494 2.978 -5.970) 7.122 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -0.601 -0.000 -4.259) 4.301 2.060 ( -21.302 -0.000 -17.525) 27.585 2.182 ( -8.495 -0.000 -3.499) 9.187 2.661 ( 4.761 0.000 -5.476) 7.256 2.880 ( 3.999 0.000 -4.166) 5.775 3.101 ( 9.673 0.000 7.674) 12.347 3.209 ( -10.409 -0.000 -9.922) 14.380 3.442 ( 7.396 0.000 0.315) 7.402 3.497 ( 8.297 0.000 0.966) 8.353 3.590 ( 12.445 0.000 -13.017) 18.009 3.684 ( -1.375 -0.000 -1.771) 2.242 3.701 ( -3.827 -0.000 -5.125) 6.396 3.803 ( 7.300 0.000 1.235) 7.404 4.081 ( 2.569 0.000 10.070) 10.392 4.272 ( -1.672 -0.000 10.895) 11.023 4.360 ( -7.888 -0.000 -0.541) 7.907 4.413 ( -1.671 -0.000 9.513) 9.659 4.868 ( 0.071 0.000 2.135) 2.136 4.984 ( 0.868 0.000 -3.156) 3.273 5.042 ( -5.486 -0.000 0.853) 5.552 5.445 ( -4.146 -0.000 -6.172) 7.436 5.508 ( -7.209 -0.000 2.815) 7.739 5.757 ( 10.547 0.000 10.452) 14.849 5.800 ( 1.345 0.000 6.833) 6.964 5.908 ( -3.594 -0.000 -7.456) 8.277 5.916 ( -0.888 -0.000 -9.934) 9.974 6.259 ( -0.511 -0.000 -1.467) 1.554 6.501 ( -3.391 -0.000 -3.013) 4.536 6.956 ( 2.136 0.000 3.623) 4.205 7.002 ( -0.617 -0.000 -2.487) 2.562 7.850 ( -2.504 -0.000 -0.962) 2.683 8.145 ( -8.429 -0.000 -6.045) 10.373 8.403 ( 3.755 0.000 3.571) 5.182 8.408 ( 2.755 0.000 3.706) 4.618 8.802 ( 7.846 0.000 7.997) 11.203 8.940 ( -0.513 -0.000 0.397) 0.649 9.251 ( -1.213 -0.000 -0.457) 1.297 9.393 ( -0.630 -0.000 -0.832) 1.044 9.533 ( -0.228 -0.000 -4.047) 4.054 9.595 ( -2.323 -0.000 -8.709) 9.014 9.765 ( -1.383 -0.000 -1.486) 2.030 9.990 ( -2.976 -0.000 -3.214) 4.380 10.341 ( 1.928 0.000 1.860) 2.679 10.400 ( -2.890 -0.000 3.500) 4.539 10.607 ( -1.597 -0.000 -3.972) 4.281 10.985 ( -7.728 -0.000 2.160) 8.024 11.058 ( -0.289 -0.000 -5.688) 5.696 11.191 ( 3.646 0.000 0.230) 3.653 11.442 ( -2.861 -0.000 -4.208) 5.089 11.662 ( -0.037 -0.000 -4.372) 4.372 11.912 ( -5.658 -0.000 -3.702) 6.761 11.998 ( -1.973 -0.000 10.526) 10.709 12.212 ( 9.167 0.000 5.461) 10.670 12.349 ( 4.575 0.000 1.658) 4.866 12.562 ( 9.160 0.000 9.747) 13.376 12.615 ( -4.417 -0.000 -13.455) 14.162 12.894 ( 7.076 0.000 -4.445) 8.356 13.028 ( -1.369 -0.000 0.037) 1.369 13.330 ( -3.275 -0.000 0.153) 3.279 13.454 ( 2.805 0.000 4.397) 5.216 13.539 ( -7.106 -0.000 -4.491) 8.406 13.730 ( -2.795 -0.000 -2.580) 3.804 14.317 ( 14.851 0.000 8.070) 16.902 14.506 ( 1.809 0.000 0.473) 1.870 14.567 ( 3.109 0.000 -0.433) 3.139 14.848 ( -2.301 -0.000 3.144) 3.896 15.030 ( 0.020 0.000 -0.019) 0.028 15.259 ( 0.735 0.000 -1.909) 2.046 15.951 ( 0.465 0.000 -0.336) 0.573 16.462 ( -0.936 -0.000 -4.099) 4.205 16.539 ( 0.590 0.000 -0.534) 0.796 16.622 ( -1.693 -0.000 0.068) 1.694 16.921 ( 1.069 0.000 0.660) 1.256 16.991 ( 1.042 0.000 0.607) 1.206 17.197 ( 0.286 0.000 0.915) 0.959 17.549 ( -3.653 -0.000 -0.740) 3.727 19.934 ( 4.451 0.000 0.867) 4.535 20.155 ( -3.050 -0.000 0.323) 3.067 20.945 ( -1.016 -0.000 1.072) 1.477 20.995 ( 0.054 0.000 1.182) 1.184 21.885 ( -2.186 -0.000 0.355) 2.215 22.344 ( 0.530 0.000 -3.096) 3.141 23.230 ( -1.971 -0.000 1.165) 2.290 23.495 ( 0.729 0.000 -2.355) 2.466 26.971 ( -0.026 -0.000 0.260) 0.262 26.974 ( 0.129 0.000 0.234) 0.267 29.444 ( 1.019 0.000 0.585) 1.175 29.662 ( -2.462 -0.000 -4.920) 5.501 30.285 ( 5.085 0.000 4.632) 6.879 30.649 ( -0.212 -0.000 3.374) 3.381 30.661 ( 2.394 0.000 2.769) 3.660 31.317 ( 3.541 0.000 2.702) 4.454 31.408 ( -0.532 -0.000 2.532) 2.587 32.013 ( 0.130 0.000 -1.482) 1.488 32.186 ( -1.449 -0.000 -1.852) 2.352 32.410 ( -1.346 -0.000 -4.398) 4.599 32.705 ( 0.131 0.000 -3.983) 3.985 33.435 ( -1.718 -0.000 5.627) 5.883 33.905 ( 7.716 0.000 -8.068) 11.164 34.264 ( 25.466 0.000 -42.220) 49.306 35.290 ( -0.705 -0.000 1.236) 1.423 35.489 ( 1.146 0.000 -1.132) 1.611 35.577 ( -3.598 -0.000 4.892) 6.073 35.911 ( 2.547 0.000 -4.069) 4.801 36.192 ( -2.707 -0.000 13.190) 13.465 36.254 ( 2.980 0.000 4.214) 5.161 36.501 ( -22.243 -0.000 27.619) 35.462 38.904 ( -4.461 -0.000 -6.996) 8.297 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -16.525 -3.449 -5.291) 17.691 1.971 ( -16.910 -12.782 -4.187) 21.607 2.200 ( 2.223 -9.545 -9.392) 13.574 2.621 ( 1.514 -2.447 -6.049) 6.698 2.834 ( 4.872 0.844 -4.717) 6.834 3.068 ( -19.208 -0.986 -10.151) 21.748 3.178 ( 8.029 6.660 -3.345) 10.955 3.475 ( 6.895 5.871 -12.158) 15.160 3.515 ( 3.403 1.726 -4.890) 6.203 3.629 ( 4.356 0.293 -5.812) 7.269 3.666 ( 5.234 -6.669 2.676) 8.890 3.847 ( -0.431 -15.895 3.036) 16.188 3.862 ( 10.813 3.857 5.485) 12.724 4.108 ( -7.016 -2.314 -2.760) 7.886 4.257 ( 4.038 5.236 10.979) 12.816 4.378 ( -3.139 0.473 2.242) 3.887 4.527 ( -1.634 -4.079 18.163) 18.687 4.836 ( -4.189 2.674 -0.034) 4.970 4.992 ( 1.939 -1.637 2.940) 3.884 5.038 ( 0.405 -1.357 3.015) 3.331 5.409 ( -0.951 -1.186 -1.907) 2.438 5.512 ( -4.120 -6.362 -2.670) 8.036 5.796 ( -2.180 1.583 -4.848) 5.547 5.807 ( -1.331 0.125 -2.318) 2.675 5.864 ( -0.213 0.878 -5.539) 5.612 5.992 ( 9.422 -3.307 11.122) 14.947 6.227 ( 1.146 1.296 -2.241) 2.831 6.456 ( -2.906 -0.517 -5.326) 6.089 6.875 ( -3.079 9.464 -0.774) 9.983 6.951 ( 1.408 4.430 1.632) 4.927 7.825 ( -1.550 0.197 1.518) 2.179 8.046 ( -4.638 1.131 -4.955) 6.880 8.399 ( 5.131 5.123 3.131) 7.897 8.437 ( -3.623 -0.252 1.320) 3.864 8.875 ( 3.005 0.704 3.574) 4.722 9.040 ( 8.033 -4.620 4.351) 10.238 9.183 ( -0.654 4.287 0.953) 4.440 9.382 ( -1.960 0.165 -0.121) 1.970 9.490 ( -0.638 0.361 -7.118) 7.156 9.539 ( -3.822 -2.814 -9.171) 10.327 9.769 ( -1.776 -2.109 -1.727) 3.253 9.966 ( -2.227 -0.750 -0.595) 2.424 10.281 ( -2.443 4.539 0.952) 5.242 10.404 ( -8.086 2.754 -2.659) 8.946 10.508 ( 5.924 6.247 1.014) 8.669 10.947 ( -2.123 3.617 -3.969) 5.774 10.989 ( -4.607 -0.590 0.233) 4.650 11.256 ( 3.395 -2.562 2.150) 4.766 11.436 ( -2.199 -4.930 -4.196) 6.837 11.622 ( -0.052 2.091 -3.341) 3.942 11.827 ( -4.816 3.115 -2.990) 6.468 12.057 ( -2.821 -3.935 6.120) 7.804 12.303 ( 0.373 14.061 -11.419) 18.118 12.339 ( 7.361 0.724 5.586) 9.269 12.416 ( 2.085 3.727 0.609) 4.314 12.644 ( 2.683 2.992 3.361) 5.239 12.843 ( 2.150 7.630 -0.191) 7.929 12.913 ( 2.551 6.162 0.401) 6.681 13.346 ( 0.716 -2.891 3.567) 4.647 13.382 ( -1.918 0.700 1.598) 2.593 13.608 ( -2.955 -2.987 -2.935) 5.125 13.720 ( -4.231 -3.622 -4.514) 7.169 14.442 ( 11.650 1.887 7.521) 13.994 14.609 ( 3.151 -7.789 -2.843) 8.870 14.770 ( 1.709 -9.614 3.231) 10.285 14.960 ( -0.263 -11.069 2.946) 11.458 15.121 ( 6.626 -7.804 1.232) 10.312 15.266 ( 1.024 -4.300 0.867) 4.505 16.025 ( -4.055 -8.154 -0.487) 9.120 16.322 ( -3.094 7.953 -6.137) 10.512 16.494 ( 4.193 6.229 -0.112) 7.509 16.598 ( 1.876 1.723 1.421) 2.917 16.980 ( 1.834 -4.625 1.188) 5.115 17.052 ( 0.763 -4.212 0.445) 4.304 17.281 ( 0.822 -6.965 1.192) 7.114 17.509 ( -4.574 -0.275 -1.852) 4.942 20.016 ( 4.299 -4.460 1.133) 6.297 20.102 ( -5.617 1.304 -0.575) 5.795 20.831 ( -1.816 9.500 1.988) 9.874 20.987 ( 0.509 3.818 -0.160) 3.855 21.945 ( -1.847 -7.996 0.518) 8.223 22.399 ( 0.725 -7.344 -3.496) 8.165 23.135 ( -2.697 8.417 1.363) 8.943 23.457 ( 1.068 3.595 -2.558) 4.540 27.083 ( -1.211 -12.226 0.612) 12.301 27.133 ( 2.983 -15.897 1.288) 16.226 29.279 ( 1.387 16.780 1.576) 16.910 29.540 ( -4.541 7.551 -6.754) 11.102 30.524 ( 6.701 -13.713 8.571) 17.504 30.686 ( 0.741 -1.965 3.212) 3.837 30.738 ( 4.230 -3.722 3.245) 6.502 31.388 ( 3.926 -2.246 4.104) 6.108 31.444 ( -0.673 -2.848 2.173) 3.644 31.898 ( -0.836 9.076 -2.681) 9.500 32.052 ( -0.971 10.668 -2.792) 11.070 32.453 ( -2.084 -8.444 -6.647) 10.947 32.808 ( -0.369 -11.337 -3.100) 11.759 33.435 ( -0.336 2.453 5.268) 5.821 33.880 ( 7.809 4.685 -7.236) 11.632 34.029 ( 15.748 16.370 -42.652) 48.324 35.317 ( -0.613 -2.478 1.447) 2.935 35.463 ( -0.517 1.736 0.257) 1.829 35.582 ( -3.377 -1.045 3.556) 5.014 35.963 ( 4.108 -3.244 -3.723) 6.424 36.235 ( -1.023 0.329 6.706) 6.792 36.328 ( -2.067 -1.636 6.274) 6.806 36.585 ( -11.327 -7.803 33.116) 35.859 38.725 ( -5.583 9.440 -10.551) 15.219 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -13.342 -19.668 4.940) 24.274 2.045 ( -15.921 -12.691 -0.326) 20.363 2.433 ( 5.913 -16.369 -7.545) 18.969 2.712 ( -1.110 -4.657 -3.531) 5.949 2.812 ( -17.655 0.949 -7.404) 19.169 2.922 ( 1.263 -6.207 -3.353) 7.167 3.120 ( 7.243 0.448 -6.408) 9.681 3.324 ( 4.660 6.872 -9.536) 12.644 3.487 ( 3.398 -0.382 -9.490) 10.087 3.631 ( 0.226 -3.528 -7.787) 8.552 3.762 ( -3.168 -3.562 -0.593) 4.804 3.871 ( 6.311 5.426 1.023) 8.386 4.023 ( -1.650 3.259 -3.272) 4.904 4.152 ( 0.391 -9.069 3.905) 9.882 4.229 ( -1.383 10.035 5.429) 11.493 4.340 ( 9.567 -0.255 -0.697) 9.596 4.649 ( -2.398 1.887 17.461) 17.726 4.801 ( -7.438 -3.327 6.274) 10.284 5.028 ( 4.271 2.568 2.670) 5.654 5.144 ( 3.864 -4.356 1.746) 6.079 5.465 ( 1.002 -4.223 3.050) 5.305 5.624 ( 2.145 -6.758 -0.837) 7.140 5.719 ( 2.695 4.593 0.931) 5.406 5.778 ( -3.266 -1.772 -6.764) 7.718 5.792 ( -3.297 1.142 -6.172) 7.089 6.155 ( 4.377 -2.631 5.779) 7.712 6.222 ( 1.307 -0.337 -1.877) 2.312 6.427 ( 0.110 -0.978 -4.864) 4.962 6.663 ( -4.199 9.727 2.894) 10.983 6.872 ( 0.655 5.836 2.275) 6.298 7.835 ( -0.565 -0.544 2.282) 2.413 7.995 ( 0.876 0.759 -1.348) 1.778 8.343 ( -2.207 4.976 1.530) 5.655 8.396 ( -0.873 1.003 -0.363) 1.378 8.902 ( -0.453 -1.145 1.934) 2.293 9.143 ( 2.182 -0.704 -0.693) 2.395 9.159 ( 2.027 1.545 4.554) 5.219 9.369 ( 0.885 -0.198 0.040) 0.907 9.445 ( -0.391 1.188 -3.110) 3.352 9.526 ( -3.514 -3.701 -11.130) 12.244 9.810 ( 0.240 -5.015 -1.197) 5.162 9.959 ( 0.482 3.131 4.640) 5.618 10.174 ( -3.988 10.724 -3.464) 11.954 10.187 ( -0.731 2.815 -1.916) 3.483 10.490 ( -0.205 2.696 1.948) 3.333 10.781 ( -1.545 6.811 -5.876) 9.127 11.015 ( -2.060 -0.842 4.496) 5.017 11.335 ( 0.222 -3.234 2.180) 3.906 11.485 ( -7.624 -1.149 0.301) 7.716 11.595 ( 5.793 -2.696 -4.400) 7.758 11.715 ( -3.086 3.327 -2.455) 5.160 11.884 ( -7.480 12.190 -14.089) 20.076 12.176 ( -1.952 -6.800 3.875) 8.067 12.393 ( 9.899 6.037 2.599) 11.882 12.412 ( -0.472 1.069 3.471) 3.662 12.562 ( -1.226 4.568 0.401) 4.746 12.719 ( 4.563 7.632 1.494) 9.017 12.874 ( 0.148 2.821 -1.186) 3.063 13.353 ( -4.829 0.141 2.648) 5.509 13.490 ( 6.006 -2.269 3.099) 7.129 13.636 ( 1.586 -5.604 -0.605) 5.856 13.709 ( -3.472 -2.679 -5.165) 6.775 14.568 ( 5.921 -3.541 4.334) 8.147 14.595 ( -5.791 4.350 -5.597) 9.153 14.933 ( 0.443 -7.820 4.169) 8.873 15.150 ( 1.898 -5.889 1.646) 6.403 15.338 ( 4.882 -8.949 1.309) 10.278 15.497 ( 7.678 -10.496 3.440) 13.452 16.014 ( -6.904 4.919 -2.354) 8.798 16.239 ( -5.819 -7.834 -4.991) 10.960 16.405 ( 3.494 6.618 0.693) 7.516 16.663 ( 11.448 -1.480 3.247) 11.992 17.071 ( -1.795 -3.894 0.871) 4.375 17.148 ( 3.676 -4.616 0.528) 5.924 17.415 ( 0.876 -5.187 0.334) 5.271 17.481 ( -3.394 -0.967 -0.168) 3.533 20.049 ( -5.496 -1.427 -0.224) 5.683 20.158 ( 4.132 -7.072 -0.861) 8.236 20.637 ( -2.015 11.432 2.511) 11.876 20.868 ( 1.177 8.948 -1.655) 9.176 22.127 ( -1.968 -12.835 0.508) 12.995 22.559 ( 1.501 -11.281 -3.375) 11.871 22.959 ( -2.546 9.142 3.198) 10.014 23.355 ( 1.560 7.239 -2.511) 7.819 27.359 ( -3.176 -19.408 0.622) 19.676 27.570 ( 11.059 -23.609 4.338) 26.429 28.956 ( 2.057 21.529 2.929) 21.824 29.250 ( -6.597 15.030 -8.548) 18.506 30.760 ( 1.633 -3.978 2.912) 5.193 30.864 ( 2.985 -10.991 9.688) 14.952 30.894 ( 5.285 -8.519 1.669) 10.163 31.458 ( -3.216 -2.364 2.330) 4.621 31.522 ( 3.236 -0.612 3.620) 4.894 31.727 ( 1.264 5.620 -2.982) 6.486 31.824 ( 1.030 11.093 -3.607) 11.710 32.541 ( -1.797 -7.510 -12.352) 14.567 33.005 ( -1.105 -12.030 -2.351) 12.307 33.398 ( 0.956 5.489 1.908) 5.889 33.545 ( -0.368 15.621 -28.119) 32.169 33.798 ( 5.691 7.302 -3.997) 10.084 35.366 ( -1.417 -2.327 1.965) 3.360 35.453 ( -0.887 -1.109 0.780) 1.620 35.602 ( -3.302 -1.839 3.327) 5.035 36.003 ( 2.741 0.023 -1.706) 3.229 36.251 ( 0.117 1.022 4.784) 4.893 36.331 ( -7.923 1.383 11.612) 14.125 36.933 ( 4.014 -14.955 18.777) 24.338 38.399 ( -4.202 14.594 -12.472) 19.652 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -20.192 -18.430 -1.660) 27.389 2.314 ( 4.263 -16.980 9.935) 20.129 2.492 ( -20.882 1.351 -13.754) 25.041 2.691 ( 6.270 -7.829 -2.471) 10.330 2.868 ( -6.362 -2.178 -0.141) 6.726 2.981 ( 4.872 -4.239 3.500) 7.345 3.237 ( 9.519 -8.235 -7.026) 14.415 3.250 ( 6.614 4.954 -1.041) 8.329 3.472 ( -1.256 -4.448 -12.805) 13.613 3.635 ( 0.824 2.157 -1.439) 2.721 3.780 ( -0.033 3.012 -1.556) 3.390 3.805 ( -2.876 -4.651 -4.870) 7.322 3.910 ( -0.291 10.260 3.947) 10.997 4.088 ( -3.382 -5.306 -2.161) 6.653 4.271 ( 2.490 0.776 -3.994) 4.770 4.434 ( 14.082 2.624 4.270) 14.947 4.640 ( -4.885 2.970 13.128) 14.318 4.830 ( -5.355 -0.619 2.390) 5.897 5.042 ( 4.733 0.081 1.921) 5.109 5.194 ( 3.540 2.316 -3.704) 5.623 5.538 ( -0.796 -2.520 -0.601) 2.711 5.637 ( 2.216 3.878 -5.355) 6.973 5.726 ( 4.423 -0.343 5.372) 6.967 5.765 ( -4.636 -2.446 -2.608) 5.854 5.805 ( 0.063 -1.946 5.568) 5.899 6.163 ( -1.973 2.282 -7.178) 7.786 6.253 ( -0.938 -2.955 5.180) 6.037 6.426 ( 4.199 1.508 -3.066) 5.413 6.549 ( -4.110 1.734 4.736) 6.506 6.813 ( 1.716 3.167 3.364) 4.928 7.845 ( -0.653 0.111 0.913) 1.128 8.015 ( 2.847 -0.839 0.448) 3.001 8.207 ( -9.549 3.120 -1.841) 10.213 8.412 ( 5.029 0.571 1.707) 5.342 8.944 ( -0.515 -2.342 2.114) 3.197 9.108 ( -1.826 2.315 -1.270) 3.210 9.147 ( -0.337 3.448 0.240) 3.473 9.403 ( -0.439 1.156 -2.110) 2.445 9.427 ( 4.277 -3.196 -3.551) 6.412 9.506 ( -0.321 -3.051 -3.072) 4.342 9.810 ( -1.504 6.677 -1.987) 7.127 9.905 ( 2.258 6.764 9.975) 12.262 10.062 ( -4.295 -6.530 -3.826) 8.702 10.225 ( 4.709 -5.530 -1.869) 7.500 10.424 ( -0.512 4.798 2.517) 5.442 10.642 ( -2.708 4.460 -4.382) 6.814 11.014 ( -1.496 2.206 4.315) 5.071 11.356 ( -4.006 -0.325 0.439) 4.043 11.433 ( -3.625 2.032 3.776) 5.615 11.556 ( -3.253 3.751 -9.574) 10.785 11.678 ( 1.161 -0.960 0.897) 1.753 11.778 ( 1.916 -6.958 -5.232) 8.914 12.277 ( -1.919 -2.781 -3.079) 4.572 12.353 ( 3.961 3.193 3.284) 6.056 12.417 ( -0.011 -0.901 2.090) 2.276 12.537 ( -0.979 -2.144 1.923) 3.042 12.646 ( 6.187 6.941 1.846) 9.480 12.755 ( -0.440 8.097 -2.708) 8.550 13.316 ( -3.954 1.501 2.283) 4.806 13.558 ( 3.646 -0.772 2.099) 4.278 13.695 ( -3.546 -5.620 -5.145) 8.404 13.835 ( 5.752 -7.435 -0.077) 9.401 14.374 ( -10.482 7.681 -3.247) 13.394 14.688 ( 2.664 -2.221 1.606) 3.822 15.095 ( -0.048 -6.742 3.685) 7.684 15.263 ( 2.858 -5.712 1.126) 6.485 15.458 ( 3.146 -0.378 -0.028) 3.169 15.597 ( 2.177 5.654 -0.528) 6.081 15.981 ( -1.735 -7.713 2.952) 8.439 16.266 ( -7.128 2.034 -0.432) 7.425 16.355 ( -0.199 -3.534 -4.749) 5.923 16.796 ( 13.851 1.171 1.996) 14.043 17.126 ( -2.047 -3.899 0.939) 4.503 17.243 ( 3.718 -1.887 -0.457) 4.194 17.438 ( -3.107 0.036 -2.040) 3.717 17.502 ( 0.118 -0.476 3.656) 3.688 20.081 ( -3.908 -6.204 0.579) 7.355 20.263 ( 3.310 0.830 -4.546) 5.685 20.484 ( -0.597 2.497 3.721) 4.521 20.688 ( 1.487 10.680 -2.828) 11.148 22.350 ( -2.393 -13.121 0.900) 13.367 22.767 ( 2.199 -10.619 -3.925) 11.533 22.821 ( -1.022 6.583 5.755) 8.803 23.202 ( 1.583 9.660 -2.099) 10.011 27.708 ( -4.174 -22.332 0.093) 22.719 28.109 ( 15.405 -19.018 5.072) 24.994 28.594 ( 2.353 22.530 3.879) 22.982 28.840 ( -6.272 17.792 -8.781) 20.809 30.875 ( 0.937 -6.013 2.279) 6.498 31.045 ( -0.946 -1.382 7.374) 7.561 31.089 ( 3.163 -8.962 -0.376) 9.511 31.430 ( -2.714 4.027 -0.156) 4.859 31.497 ( -2.521 0.767 0.705) 2.728 31.586 ( -0.929 8.189 0.655) 8.267 31.828 ( 6.944 -4.725 -5.742) 10.174 32.527 ( 1.740 -2.590 -17.538) 17.813 33.108 ( -3.856 -0.312 -4.855) 6.208 33.245 ( -2.442 -3.321 -3.303) 5.283 33.399 ( -1.282 0.543 2.062) 2.487 33.678 ( 5.139 8.320 -2.632) 10.127 35.394 ( -2.257 -1.102 2.528) 3.564 35.483 ( -0.539 -1.792 0.363) 1.906 35.629 ( -3.637 -1.602 4.237) 5.809 35.995 ( 2.002 1.455 -1.951) 3.151 36.250 ( 0.553 2.544 4.551) 5.243 36.315 ( -8.538 -0.051 11.585) 14.392 37.315 ( 7.112 -13.062 6.999) 16.437 38.042 ( -1.687 13.602 -11.260) 17.738 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -26.836 -0.000 -17.148) 31.847 1.614 ( -26.083 -0.000 -5.223) 26.600 2.099 ( 11.184 0.000 -9.337) 14.569 2.633 ( 6.627 0.000 -13.176) 14.749 2.685 ( -31.705 -0.000 -18.521) 36.719 2.956 ( -1.813 -0.000 3.651) 4.077 3.229 ( 7.314 0.000 -4.837) 8.769 3.491 ( -6.871 -0.000 -10.132) 12.242 3.584 ( 2.750 0.000 -9.137) 9.542 3.631 ( 7.009 0.000 8.807) 11.255 3.681 ( 0.754 0.000 -0.733) 1.052 3.725 ( 11.070 0.000 6.391) 12.782 4.014 ( -4.320 -0.000 -0.841) 4.401 4.025 ( 6.334 0.000 6.208) 8.869 4.349 ( 9.706 0.000 4.229) 10.588 4.425 ( -1.259 -0.000 6.462) 6.584 4.607 ( 0.057 0.000 21.320) 21.320 4.867 ( -3.439 -0.000 2.935) 4.521 4.974 ( 2.695 0.000 -0.791) 2.809 5.074 ( 3.497 0.000 8.114) 8.836 5.362 ( -5.166 -0.000 -5.663) 7.665 5.421 ( 5.380 0.000 1.974) 5.731 5.634 ( -9.149 -0.000 -14.104) 16.812 5.859 ( 4.077 0.000 -3.494) 5.369 5.879 ( 0.060 0.000 1.982) 1.983 6.112 ( 9.415 0.000 10.258) 13.924 6.223 ( 0.200 0.000 -3.878) 3.883 6.388 ( -3.361 -0.000 -7.157) 7.907 6.934 ( -3.702 -0.000 -2.161) 4.287 6.979 ( -3.172 -0.000 -0.229) 3.180 7.837 ( 1.378 0.000 4.889) 5.079 7.997 ( -2.696 -0.000 -2.697) 3.814 8.410 ( -5.533 -0.000 -0.733) 5.581 8.485 ( 1.277 0.000 2.818) 3.093 8.961 ( 2.684 0.000 0.025) 2.684 9.081 ( 13.360 0.000 3.431) 13.794 9.216 ( -1.853 -0.000 -2.161) 2.846 9.341 ( -6.211 -0.000 -1.693) 6.437 9.415 ( -4.287 -0.000 -7.436) 8.583 9.469 ( 3.947 0.000 -6.200) 7.350 9.697 ( -6.169 -0.000 -2.225) 6.558 9.958 ( 0.694 0.000 2.198) 2.305 10.334 ( -2.979 -0.000 -1.226) 3.222 10.336 ( -4.524 -0.000 3.657) 5.817 10.638 ( 3.210 0.000 0.485) 3.247 10.912 ( -3.363 -0.000 3.563) 4.900 10.984 ( 0.198 0.000 -6.677) 6.680 11.272 ( 5.308 0.000 1.972) 5.662 11.350 ( -2.637 -0.000 -3.718) 4.558 11.622 ( 0.775 0.000 -4.050) 4.124 11.819 ( -3.905 -0.000 -0.667) 3.961 11.992 ( -6.616 -0.000 -2.990) 7.260 12.399 ( -4.453 -0.000 -5.976) 7.453 12.447 ( 8.278 0.000 6.778) 10.699 12.488 ( 4.382 0.000 4.739) 6.454 12.700 ( -0.518 -0.000 -0.703) 0.873 12.948 ( 6.756 0.000 -4.502) 8.119 12.966 ( -2.832 -0.000 -1.756) 3.332 13.325 ( -0.127 -0.000 3.953) 3.955 13.408 ( -1.696 -0.000 -2.230) 2.802 13.538 ( 3.011 0.000 2.546) 3.943 13.646 ( -2.271 -0.000 -3.596) 4.253 14.550 ( 2.609 0.000 0.976) 2.786 14.563 ( 2.791 0.000 0.403) 2.820 14.715 ( 5.795 0.000 7.840) 9.749 14.948 ( 12.545 0.000 6.452) 14.107 15.021 ( -0.335 -0.000 -1.342) 1.384 15.242 ( 0.445 0.000 -3.209) 3.240 15.928 ( -2.843 -0.000 4.893) 5.659 16.358 ( -2.380 -0.000 -10.261) 10.534 16.587 ( 4.864 0.000 -1.036) 4.973 16.616 ( 1.106 0.000 -0.198) 1.124 16.940 ( -0.335 -0.000 1.366) 1.406 17.017 ( 1.787 0.000 -0.138) 1.792 17.229 ( 1.092 0.000 3.145) 3.329 17.444 ( -6.022 -0.000 -4.150) 7.313 20.019 ( 3.975 0.000 2.154) 4.521 20.046 ( -9.087 -0.000 -1.831) 9.269 20.932 ( -1.960 -0.000 0.814) 2.122 21.010 ( -0.551 -0.000 2.199) 2.267 21.866 ( -1.041 -0.000 0.802) 1.314 22.312 ( 0.594 0.000 -3.861) 3.906 23.211 ( -1.666 -0.000 0.609) 1.773 23.482 ( 1.345 0.000 -2.388) 2.741 26.973 ( -0.215 -0.000 0.287) 0.358 26.978 ( -0.005 -0.000 0.289) 0.289 29.449 ( -0.242 -0.000 -0.605) 0.651 29.542 ( -4.638 -0.000 -5.123) 6.911 30.512 ( 7.494 0.000 15.113) 16.869 30.704 ( 2.793 0.000 2.880) 4.012 30.755 ( 4.791 0.000 2.839) 5.569 31.423 ( -0.549 -0.000 1.996) 2.070 31.430 ( 5.478 0.000 4.653) 7.187 31.981 ( -0.202 -0.000 -4.936) 4.940 32.109 ( -4.566 -0.000 -3.020) 5.474 32.315 ( -2.437 -0.000 -7.305) 7.701 32.667 ( 0.110 0.000 -3.006) 3.008 33.486 ( 0.500 0.000 4.633) 4.660 33.939 ( 6.574 0.000 -5.693) 8.697 34.053 ( 22.668 0.000 -64.221) 68.104 35.295 ( -0.631 -0.000 1.245) 1.395 35.487 ( 0.688 0.000 -1.989) 2.105 35.565 ( -2.449 -0.000 1.625) 2.939 35.928 ( 4.818 0.000 -2.790) 5.568 36.241 ( -5.457 -0.000 5.692) 7.885 36.362 ( 3.180 0.000 5.683) 6.512 36.664 ( -15.221 -0.000 55.943) 57.976 38.692 ( -7.099 -0.000 -13.011) 14.822 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -23.845 -16.991 -1.449) 29.315 1.528 ( -25.152 -21.970 -9.555) 34.736 2.255 ( 13.131 -9.306 -5.965) 17.164 2.325 ( -37.723 -6.479 -21.113) 43.712 2.644 ( 2.638 -4.501 -8.196) 9.715 2.902 ( -1.816 4.229 3.844) 5.996 3.230 ( 5.828 3.073 -8.775) 10.973 3.321 ( -13.157 3.421 -6.147) 14.920 3.494 ( 2.071 3.128 -3.744) 5.300 3.599 ( 0.974 4.854 -4.533) 6.713 3.795 ( 5.155 3.898 2.734) 7.018 3.922 ( 4.764 -10.628 3.673) 12.213 3.988 ( 3.015 -1.201 -0.564) 3.294 4.086 ( 3.351 0.355 1.286) 3.607 4.378 ( -2.611 6.016 -0.033) 6.559 4.504 ( 15.097 0.096 10.624) 18.460 4.707 ( -5.684 -3.671 9.504) 11.666 4.824 ( 0.912 4.083 11.393) 12.137 5.088 ( 5.348 -4.477 5.302) 8.761 5.176 ( 9.887 0.011 9.045) 13.400 5.373 ( -3.402 -7.391 -5.056) 9.580 5.507 ( 5.205 -3.259 4.397) 7.553 5.571 ( -3.072 -6.353 -10.592) 12.727 5.814 ( 1.847 3.456 -8.606) 9.456 5.859 ( 0.799 4.904 4.372) 6.618 6.189 ( 1.152 0.422 -0.777) 1.452 6.212 ( -0.691 -0.828 -0.913) 1.413 6.369 ( 2.844 -2.761 -3.572) 5.335 6.796 ( -6.332 8.353 -0.166) 10.483 6.939 ( -3.723 1.363 -0.281) 3.975 7.869 ( 2.697 2.585 5.732) 6.841 7.993 ( 0.143 -0.880 0.929) 1.287 8.328 ( -7.793 2.610 -1.577) 8.368 8.487 ( 1.265 1.774 1.941) 2.918 8.937 ( 3.009 2.886 1.754) 4.523 9.127 ( -2.854 0.682 -3.520) 4.583 9.207 ( 0.605 -0.854 -2.544) 2.751 9.311 ( -2.527 -4.642 -10.107) 11.406 9.402 ( 3.455 0.228 2.518) 4.281 9.477 ( 2.830 0.373 -1.548) 3.247 9.677 ( -4.501 -4.713 -2.852) 7.114 10.011 ( 3.429 -2.183 4.346) 5.951 10.230 ( -3.910 6.557 -0.814) 7.677 10.314 ( -1.659 4.690 1.363) 5.158 10.580 ( -0.801 5.872 2.545) 6.450 10.874 ( 0.477 7.193 -7.058) 10.089 10.986 ( 1.485 -4.418 5.945) 7.554 11.304 ( -0.977 -0.250 -0.546) 1.147 11.385 ( 1.098 -4.561 0.798) 4.759 11.595 ( 1.655 0.817 -4.345) 4.720 11.734 ( -4.405 3.854 -3.127) 6.636 11.907 ( -8.457 2.626 -12.970) 15.705 12.177 ( -7.195 9.702 4.766) 12.985 12.469 ( -0.224 3.778 2.848) 4.736 12.552 ( 2.254 2.208 1.604) 3.539 12.636 ( 1.496 3.277 -0.752) 3.680 12.875 ( 3.789 5.381 0.584) 6.607 12.937 ( 2.642 4.231 -3.335) 6.000 13.320 ( -4.572 0.058 3.317) 5.649 13.490 ( 7.151 -5.296 3.289) 9.487 13.547 ( -0.484 -1.082 -1.563) 1.962 13.669 ( 0.705 -1.590 -1.674) 2.414 14.532 ( -0.978 1.076 -4.207) 4.451 14.602 ( 0.110 1.318 -2.815) 3.111 14.808 ( -4.018 -6.911 4.495) 9.171 15.058 ( 5.354 -7.190 3.583) 9.654 15.281 ( 5.424 -5.685 -0.167) 7.859 15.335 ( 9.982 -17.568 2.059) 20.310 15.986 ( -2.122 -1.616 6.082) 6.641 16.182 ( -2.530 6.774 -10.293) 12.579 16.560 ( 4.320 5.900 -0.241) 7.317 16.692 ( 8.710 -5.730 0.385) 10.433 16.984 ( -1.692 -4.421 0.214) 4.739 17.095 ( 3.631 -5.196 -0.036) 6.340 17.318 ( 1.133 -6.036 2.264) 6.545 17.396 ( -5.371 -2.881 -3.703) 7.131 19.968 ( -8.954 -0.979 -1.706) 9.168 20.089 ( 3.349 -3.452 0.730) 4.865 20.822 ( -2.238 9.140 1.999) 9.621 20.993 ( 0.109 4.164 0.521) 4.198 21.933 ( -1.243 -7.431 1.668) 7.716 22.372 ( 1.134 -7.934 -3.752) 8.849 23.114 ( -2.024 8.055 2.051) 8.555 23.455 ( 2.265 3.487 -2.160) 4.685 27.068 ( -1.156 -10.985 0.262) 11.049 27.235 ( 8.351 -24.253 2.772) 25.800 29.305 ( -0.089 14.269 0.902) 14.298 29.395 ( -4.491 9.457 -4.782) 11.509 30.730 ( 2.037 -5.094 5.261) 7.601 30.774 ( 5.078 -5.664 11.395) 13.701 30.842 ( 4.663 -3.894 2.171) 6.451 31.414 ( -3.049 0.645 0.972) 3.264 31.550 ( 7.212 -3.784 4.860) 9.484 31.818 ( -2.043 8.521 -8.882) 12.477 32.003 ( -1.872 9.018 -1.584) 9.346 32.308 ( -2.696 -7.567 -13.359) 15.588 32.770 ( -0.780 -10.911 -1.978) 11.117 33.495 ( 1.200 2.455 3.474) 4.420 33.625 ( 5.530 16.733 -60.401) 62.919 33.924 ( 6.667 4.093 -4.882) 9.221 35.320 ( -0.950 -2.345 1.157) 2.783 35.453 ( -0.894 1.498 -0.007) 1.745 35.567 ( -2.114 -1.212 1.582) 2.905 35.993 ( 4.250 -2.424 -2.902) 5.689 36.249 ( -3.367 -2.186 3.580) 5.379 36.399 ( -0.040 1.987 8.266) 8.501 36.943 ( -4.671 -3.721 52.309) 52.649 38.491 ( -5.294 7.870 -14.031) 16.937 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -24.221 -22.383 0.137) 32.980 1.860 ( -24.669 -22.124 -2.868) 33.260 2.189 ( -15.937 -21.171 -10.904) 28.655 2.497 ( 8.643 -11.704 -0.855) 14.574 2.742 ( -5.786 -5.064 -2.073) 7.964 2.921 ( -1.873 -7.634 2.986) 8.408 3.155 ( 5.151 0.668 -9.940) 11.215 3.169 ( -11.948 -3.958 -6.391) 14.116 3.452 ( 2.904 2.690 -3.182) 5.079 3.555 ( 5.726 -1.428 -5.798) 8.273 3.768 ( 1.525 2.958 1.610) 3.697 3.899 ( 3.518 5.610 -4.329) 7.911 4.046 ( 5.517 2.813 -3.195) 6.968 4.139 ( -6.854 6.299 1.650) 9.454 4.236 ( 3.072 -0.476 -0.171) 3.114 4.640 ( 5.187 2.290 11.987) 13.260 4.808 ( 9.135 3.415 6.856) 11.921 4.832 ( 2.217 -0.258 9.400) 9.662 5.171 ( 7.469 5.755 4.360) 10.388 5.275 ( 7.890 2.036 5.157) 9.644 5.472 ( 0.195 -5.256 -3.681) 6.419 5.608 ( -3.503 -6.774 -8.302) 11.273 5.678 ( -1.839 3.916 -9.133) 10.106 5.724 ( 6.117 -8.658 7.038) 12.724 5.812 ( 2.487 2.876 5.580) 6.753 6.130 ( -3.195 0.968 -8.454) 9.089 6.227 ( -3.308 -1.190 3.984) 5.313 6.449 ( 7.953 -1.953 -3.543) 8.923 6.601 ( -8.493 6.498 2.893) 11.079 6.886 ( -1.873 2.255 2.044) 3.574 7.874 ( 2.154 1.535 3.926) 4.734 7.991 ( -4.634 -0.043 -1.776) 4.963 8.203 ( -4.364 4.333 0.768) 6.197 8.477 ( 1.450 1.165 1.326) 2.284 8.929 ( -1.266 0.477 0.642) 1.497 9.090 ( -1.717 0.068 -2.787) 3.275 9.194 ( -1.217 -0.190 1.230) 1.741 9.334 ( 0.282 -3.595 -7.263) 8.109 9.432 ( -0.788 -2.216 1.210) 2.645 9.488 ( 6.972 2.289 -0.016) 7.339 9.755 ( -1.652 -6.678 -2.813) 7.432 10.036 ( -5.620 6.793 -2.863) 9.269 10.108 ( 2.652 -1.846 5.001) 5.954 10.189 ( 1.457 8.590 2.547) 9.077 10.486 ( -3.930 3.852 0.484) 5.524 10.716 ( 1.255 6.791 -3.079) 7.561 11.080 ( 1.335 1.548 6.180) 6.509 11.295 ( -3.742 -1.745 0.015) 4.129 11.443 ( -1.877 -0.793 3.035) 3.655 11.559 ( -3.552 5.605 -10.940) 12.795 11.614 ( -2.148 -2.519 -4.273) 5.406 11.724 ( -0.440 0.511 0.587) 0.894 12.166 ( -2.222 -5.596 1.083) 6.118 12.389 ( -4.314 2.526 0.396) 5.014 12.470 ( -2.077 3.747 -1.338) 4.488 12.612 ( 6.464 4.258 1.140) 7.824 12.820 ( 2.866 7.197 -2.800) 8.237 12.869 ( 4.829 3.956 2.713) 6.806 13.316 ( -4.802 -0.027 4.107) 6.319 13.520 ( -1.733 -2.378 -3.488) 4.564 13.622 ( 2.828 -0.716 1.692) 3.373 13.765 ( 6.710 -6.454 0.037) 9.311 14.357 ( -12.458 5.233 -8.761) 16.104 14.625 ( -0.443 -3.858 -0.044) 3.884 14.955 ( -2.898 -8.765 1.334) 9.328 15.224 ( 5.410 -6.471 2.919) 8.926 15.462 ( 6.098 -5.194 1.658) 8.180 15.662 ( 7.960 -7.638 2.168) 11.243 15.903 ( -4.554 4.434 -2.934) 7.000 16.100 ( -5.553 -2.388 -0.477) 6.063 16.466 ( 3.114 7.966 0.241) 8.557 16.896 ( 14.072 -4.217 0.050) 14.691 17.064 ( 1.742 -3.800 1.811) 4.556 17.213 ( 3.781 -4.146 -0.476) 5.631 17.377 ( -3.637 -2.652 -2.134) 4.981 17.474 ( 0.986 -5.109 0.515) 5.229 19.946 ( -6.586 -4.402 -0.636) 7.947 20.195 ( 3.711 -5.871 -3.641) 7.842 20.633 ( -2.311 10.558 2.598) 11.116 20.870 ( 1.082 9.329 -1.182) 9.466 22.112 ( -1.779 -12.014 2.538) 12.407 22.545 ( 1.703 -11.855 -3.543) 12.490 22.988 ( 0.399 7.428 5.203) 9.078 23.362 ( 2.628 7.651 -1.994) 8.331 27.319 ( -2.370 -17.897 0.125) 18.053 27.889 ( 23.988 -26.772 5.673) 36.391 28.996 ( -1.585 19.542 0.965) 19.630 29.091 ( -2.785 17.864 -3.704) 18.455 30.803 ( 1.507 -3.628 -0.099) 3.930 30.973 ( 3.261 -6.568 0.426) 7.345 31.016 ( -0.734 -6.854 11.607) 13.500 31.350 ( -10.083 -1.359 -6.037) 11.830 31.597 ( 1.239 6.475 1.249) 6.710 31.720 ( 2.747 -0.121 -4.139) 4.969 31.795 ( 0.278 7.981 -3.815) 8.850 32.340 ( 1.093 -7.681 -19.988) 21.441 32.945 ( -2.879 -9.535 -5.615) 11.434 33.140 ( -8.360 2.377 -18.546) 20.482 33.466 ( 0.569 3.823 2.847) 4.801 33.847 ( 5.871 7.180 -3.573) 9.939 35.359 ( -2.010 -2.138 1.692) 3.388 35.448 ( -0.704 -1.368 0.532) 1.628 35.591 ( -2.316 -2.018 2.445) 3.926 36.011 ( 0.787 0.437 -2.117) 2.301 36.294 ( -1.093 -1.192 5.506) 5.739 36.378 ( -3.794 4.475 10.401) 11.942 37.249 ( 3.539 -6.056 25.241) 26.197 38.201 ( -1.770 12.441 -12.780) 17.923 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -29.054 -0.000 -12.271) 31.539 1.080 ( -33.181 -0.000 -4.006) 33.421 1.792 ( -50.986 -0.000 -15.985) 53.433 2.244 ( 13.502 0.000 -3.428) 13.931 2.591 ( 6.947 0.000 -12.345) 14.166 2.988 ( -2.233 -0.000 5.869) 6.280 3.086 ( -23.995 -0.000 -5.614) 24.643 3.359 ( 8.470 0.000 -1.281) 8.566 3.523 ( -1.045 -0.000 -3.321) 3.482 3.655 ( -1.033 -0.000 -1.372) 1.717 3.834 ( 4.837 0.000 4.704) 6.747 3.986 ( 12.619 0.000 3.323) 13.050 4.007 ( 3.371 0.000 0.521) 3.411 4.073 ( 1.911 0.000 -3.984) 4.418 4.405 ( -3.507 -0.000 -6.024) 6.970 4.649 ( -9.472 -0.000 6.944) 11.745 4.656 ( 11.987 0.000 11.094) 16.333 4.860 ( 1.109 0.000 0.319) 1.154 5.186 ( 13.525 0.000 13.231) 18.920 5.239 ( -0.797 -0.000 -5.744) 5.799 5.304 ( 0.506 0.000 -4.978) 5.004 5.400 ( 5.547 0.000 9.092) 10.651 5.642 ( 10.383 0.000 11.430) 15.442 5.799 ( 0.086 0.000 -10.142) 10.142 5.948 ( 1.016 0.000 5.421) 5.516 6.132 ( -5.080 -0.000 -11.419) 12.498 6.188 ( -2.131 -0.000 1.582) 2.654 6.378 ( 7.803 0.000 -0.643) 7.829 6.846 ( -10.455 -0.000 -3.496) 11.024 6.863 ( -4.754 -0.000 1.260) 4.918 7.949 ( -5.035 -0.000 -1.324) 5.206 8.045 ( 9.803 0.000 15.268) 18.144 8.309 ( -3.013 -0.000 1.314) 3.287 8.507 ( -1.008 -0.000 2.931) 3.100 9.003 ( 2.082 0.000 0.153) 2.088 9.048 ( -6.690 -0.000 -10.733) 12.647 9.168 ( 4.576 0.000 -6.269) 7.761 9.206 ( -5.971 -0.000 -3.801) 7.078 9.475 ( -2.843 -0.000 0.178) 2.849 9.475 ( 6.442 0.000 2.960) 7.090 9.603 ( 2.424 0.000 -2.032) 3.163 9.991 ( -2.119 -0.000 -3.481) 4.075 10.339 ( 4.247 0.000 8.698) 9.680 10.353 ( 0.207 0.000 2.642) 2.650 10.627 ( -6.027 -0.000 2.508) 6.528 10.918 ( 3.594 0.000 -9.912) 10.544 11.003 ( 6.717 0.000 5.395) 8.615 11.289 ( -1.429 -0.000 -1.289) 1.925 11.385 ( 4.080 0.000 4.233) 5.880 11.591 ( 1.974 0.000 -4.850) 5.236 11.750 ( -9.292 -0.000 -13.775) 16.616 11.752 ( -5.358 -0.000 1.278) 5.508 12.251 ( -9.366 -0.000 -1.748) 9.528 12.532 ( -1.095 -0.000 -0.786) 1.348 12.591 ( -5.870 -0.000 -6.242) 8.568 12.665 ( 4.211 0.000 14.240) 14.849 12.952 ( 2.030 0.000 0.701) 2.148 12.992 ( 6.191 0.000 -6.389) 8.896 13.403 ( 0.311 0.000 7.683) 7.689 13.434 ( 5.029 0.000 -0.887) 5.106 13.603 ( 0.789 0.000 -1.312) 1.531 13.605 ( 4.034 0.000 -0.124) 4.036 14.583 ( 1.957 0.000 -2.166) 2.919 14.596 ( 2.148 0.000 0.087) 2.149 14.793 ( -1.185 -0.000 5.419) 5.547 14.956 ( -2.397 -0.000 -12.088) 12.323 15.139 ( 2.529 0.000 -0.718) 2.629 15.200 ( 0.991 0.000 -5.099) 5.195 16.083 ( 7.800 0.000 14.545) 16.505 16.111 ( -6.224 -0.000 -25.757) 26.498 16.617 ( 0.958 0.000 -2.491) 2.669 16.651 ( 3.253 0.000 -0.192) 3.258 16.940 ( -1.168 -0.000 1.006) 1.542 17.044 ( 3.746 0.000 -2.481) 4.493 17.293 ( -5.860 -0.000 -4.789) 7.568 17.295 ( 0.295 0.000 5.991) 5.998 19.869 ( -9.734 -0.000 -2.311) 10.004 20.096 ( 2.354 0.000 2.626) 3.527 20.907 ( -2.135 -0.000 0.620) 2.223 21.032 ( -0.467 -0.000 3.686) 3.715 21.877 ( -0.766 -0.000 4.277) 4.345 22.282 ( 1.184 0.000 -3.617) 3.806 23.197 ( -1.174 -0.000 1.188) 1.670 23.486 ( 2.136 0.000 -1.821) 2.807 26.971 ( -0.330 -0.000 0.184) 0.377 26.980 ( -0.091 -0.000 0.158) 0.182 29.434 ( -3.444 -0.000 -1.916) 3.942 29.437 ( -0.552 -0.000 -0.007) 0.552 30.728 ( 1.344 0.000 7.365) 7.487 30.827 ( 3.401 0.000 10.020) 10.581 30.849 ( 4.121 0.000 0.821) 4.202 31.454 ( 1.230 0.000 3.467) 3.678 31.574 ( 6.336 0.000 3.579) 7.277 31.816 ( -2.614 -0.000 -31.561) 31.669 31.992 ( -5.616 -0.000 -3.017) 6.375 32.179 ( -3.652 -0.000 -7.024) 7.917 32.644 ( -0.044 -0.000 -1.006) 1.007 33.421 ( 5.577 0.000 -89.227) 89.402 33.542 ( 1.087 0.000 2.771) 2.976 33.985 ( 6.468 0.000 -4.606) 7.940 35.297 ( -0.861 -0.000 1.258) 1.525 35.466 ( 0.059 0.000 -2.441) 2.441 35.549 ( -1.676 -0.000 1.302) 2.122 35.988 ( 6.011 0.000 -2.199) 6.400 36.200 ( -4.751 -0.000 2.325) 5.290 36.460 ( 1.444 0.000 4.659) 4.878 37.318 ( -0.426 -0.000 85.990) 85.991 38.443 ( -3.851 -0.000 -14.042) 14.560 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -27.854 -18.263 -2.299) 33.387 1.167 ( -17.717 -39.321 1.586) 43.157 1.453 ( -43.679 -18.382 -3.160) 47.495 2.439 ( 12.381 -9.550 1.431) 15.701 2.615 ( 4.337 -4.522 -7.584) 9.838 2.865 ( -25.035 -0.690 -4.225) 25.398 2.904 ( -4.412 7.160 3.916) 9.277 3.342 ( 6.836 9.705 -2.001) 12.039 3.488 ( -0.061 1.314 0.117) 1.321 3.592 ( 5.017 2.443 -3.184) 6.424 3.839 ( -0.026 3.145 -0.585) 3.199 4.030 ( 8.053 2.087 -1.098) 8.391 4.033 ( 3.820 -2.091 -4.250) 6.085 4.128 ( -0.113 0.106 -0.635) 0.654 4.313 ( -0.122 2.029 -6.404) 6.719 4.657 ( -5.628 -3.148 8.200) 10.432 4.882 ( 1.466 -4.864 11.429) 12.507 4.937 ( 12.587 -3.583 1.458) 13.168 5.192 ( 1.136 -7.844 -8.843) 11.875 5.309 ( 2.830 -2.734 0.865) 4.029 5.433 ( 4.340 -3.650 -2.572) 6.227 5.566 ( 17.840 4.277 13.714) 22.904 5.688 ( -0.401 4.520 -5.890) 7.435 5.775 ( 6.970 0.755 7.733) 10.438 5.924 ( 0.494 3.899 5.656) 6.887 6.041 ( -4.683 -1.201 -10.837) 11.866 6.207 ( -3.488 -0.863 7.078) 7.938 6.455 ( 8.837 -2.221 -3.124) 9.632 6.657 ( -10.506 6.837 -1.247) 12.597 6.869 ( -4.997 -1.702 1.076) 5.387 7.881 ( -8.040 0.141 -2.463) 8.410 8.068 ( 3.829 8.912 7.671) 12.366 8.308 ( 1.672 5.104 6.320) 8.294 8.496 ( -2.405 1.897 2.859) 4.190 8.902 ( -6.267 1.917 -6.063) 8.928 9.070 ( 2.994 -3.517 2.167) 5.102 9.147 ( -2.919 -1.483 -2.902) 4.375 9.228 ( 2.119 -5.038 -4.621) 7.157 9.421 ( -4.304 1.570 2.332) 5.141 9.561 ( 6.146 -1.486 1.068) 6.413 9.662 ( 5.348 -2.694 -0.953) 6.064 9.949 ( -7.046 -2.311 -7.944) 10.867 10.231 ( -6.469 12.327 1.751) 14.030 10.354 ( 2.270 3.045 3.319) 5.044 10.538 ( -7.071 5.454 2.611) 9.304 10.850 ( 6.741 6.243 -2.876) 9.628 11.144 ( 7.153 -2.704 7.468) 10.689 11.272 ( -0.405 0.495 0.659) 0.918 11.432 ( 0.652 -0.195 0.976) 1.190 11.548 ( -11.082 2.733 -1.497) 11.512 11.576 ( 3.220 1.849 -6.246) 7.266 11.727 ( -5.118 0.935 -0.067) 5.203 12.109 ( -5.932 2.129 1.118) 6.401 12.419 ( -5.686 5.698 -0.820) 8.091 12.498 ( -1.810 2.369 -2.394) 3.824 12.684 ( -1.042 3.112 0.997) 3.430 12.922 ( 1.407 5.030 -4.374) 6.812 12.986 ( 6.379 1.228 0.208) 6.499 13.297 ( -5.189 1.025 5.028) 7.298 13.536 ( 2.131 4.270 -0.698) 4.823 13.611 ( 1.098 -3.300 0.163) 3.482 13.708 ( 7.177 -6.107 1.191) 9.498 14.332 ( -10.636 9.549 -10.772) 17.898 14.593 ( 0.542 0.383 -0.464) 0.810 14.785 ( -3.627 -8.048 2.684) 9.226 15.153 ( 4.116 -5.969 1.931) 7.504 15.309 ( 0.554 -11.370 -4.682) 12.309 15.490 ( 10.195 -20.282 1.268) 22.735 15.934 ( -1.197 0.159 -16.491) 16.535 16.178 ( 4.311 5.787 6.928) 10.004 16.620 ( 3.003 5.350 0.315) 6.143 16.857 ( 16.660 -15.716 -7.605) 24.132 16.967 ( 2.451 -8.141 -2.643) 8.904 17.137 ( 3.929 -6.841 -3.677) 8.703 17.270 ( -4.284 -3.647 -2.045) 5.986 17.366 ( -0.782 -4.866 3.196) 5.873 19.818 ( -7.142 -3.117 -1.844) 8.007 20.127 ( 1.288 -1.519 -0.773) 2.136 20.807 ( -2.236 8.844 1.384) 9.226 21.005 ( 0.045 5.236 1.287) 5.392 21.960 ( -0.742 -5.945 7.445) 9.556 22.353 ( 1.652 -8.230 -3.237) 8.997 23.135 ( 0.221 5.341 4.346) 6.889 23.478 ( 3.562 3.230 -1.827) 5.143 27.056 ( -0.617 -9.957 0.106) 9.976 27.526 ( 29.804 -42.493 1.817) 51.935 29.275 ( -2.792 13.797 -0.472) 14.085 29.339 ( -0.682 10.835 -0.231) 10.859 30.767 ( -0.081 0.161 -4.378) 4.381 30.914 ( 2.812 -3.206 0.477) 4.291 30.942 ( -3.167 -6.203 11.638) 13.563 31.197 ( -19.863 6.752 -28.316) 35.240 31.634 ( 2.238 -1.752 -13.798) 14.088 31.726 ( 6.851 -1.905 4.481) 8.405 31.960 ( -2.067 4.259 -1.783) 5.059 32.060 ( -2.581 -4.146 -19.887) 20.478 32.728 ( -2.218 -7.942 -4.790) 9.536 32.934 ( -11.166 -1.313 -35.590) 37.324 33.542 ( 0.741 2.292 1.815) 3.016 33.973 ( 5.731 3.993 -3.629) 7.871 35.316 ( -1.156 -1.880 1.315) 2.570 35.439 ( -0.645 0.716 -0.192) 0.982 35.556 ( -1.819 -1.310 1.760) 2.850 36.011 ( 1.625 0.628 -2.350) 2.926 36.251 ( -0.111 -5.713 1.654) 5.949 36.466 ( -1.043 2.457 4.061) 4.860 37.593 ( 0.231 19.918 63.762) 66.801 38.298 ( 0.584 6.539 -11.498) 13.240 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -22.016 -0.000 8.457) 23.584 0.583 ( -29.932 -0.000 12.074) 32.276 1.003 ( -45.595 -0.000 26.328) 52.650 2.428 ( 10.061 0.000 3.114) 10.532 2.540 ( -10.237 -0.000 2.006) 10.432 2.723 ( -5.492 -0.000 -5.102) 7.496 3.012 ( -2.068 -0.000 3.564) 4.120 3.506 ( -0.289 -0.000 3.884) 3.895 3.510 ( 7.772 0.000 -0.415) 7.783 3.646 ( 3.772 0.000 0.116) 3.774 3.871 ( -0.539 -0.000 -0.918) 1.065 3.996 ( -0.237 -0.000 -14.672) 14.674 4.026 ( 2.506 0.000 -10.492) 10.787 4.186 ( 10.212 0.000 -2.402) 10.491 4.202 ( -6.389 -0.000 -6.747) 9.292 4.642 ( -5.972 -0.000 13.445) 14.712 4.867 ( 0.574 0.000 -0.298) 0.647 4.956 ( 2.844 0.000 1.930) 3.437 4.992 ( -1.749 -0.000 -4.820) 5.128 5.303 ( 1.847 0.000 3.500) 3.957 5.474 ( 8.829 0.000 -10.954) 14.069 5.772 ( 6.189 0.000 1.071) 6.281 5.803 ( 8.533 0.000 2.644) 8.934 5.858 ( 2.915 0.000 -0.512) 2.960 5.906 ( 0.145 0.000 0.815) 0.828 6.040 ( 2.445 0.000 13.311) 13.534 6.290 ( 8.438 0.000 19.081) 20.864 6.481 ( 8.956 0.000 -4.205) 9.894 6.647 ( -8.371 -0.000 0.341) 8.378 6.808 ( -5.706 -0.000 2.719) 6.320 7.803 ( -7.181 -0.000 -2.301) 7.541 8.265 ( 0.134 0.000 0.223) 0.260 8.335 ( -0.962 -0.000 1.806) 2.046 8.670 ( 2.017 0.000 -5.828) 6.167 8.916 ( 7.593 0.000 18.301) 19.814 9.025 ( 1.256 0.000 -0.444) 1.332 9.101 ( -2.048 -0.000 -1.595) 2.596 9.177 ( 3.155 0.000 -1.978) 3.724 9.423 ( -4.650 -0.000 5.516) 7.215 9.603 ( 8.286 0.000 1.944) 8.511 9.680 ( 6.159 0.000 -0.659) 6.194 9.831 ( -6.864 -0.000 -2.900) 7.451 10.346 ( -12.669 -0.000 -20.208) 23.851 10.357 ( -1.207 -0.000 -1.577) 1.986 10.558 ( -6.833 -0.000 4.522) 8.194 11.048 ( 15.963 0.000 8.261) 17.974 11.153 ( 5.628 0.000 1.429) 5.807 11.285 ( -0.967 -0.000 4.248) 4.356 11.430 ( -3.055 -0.000 -5.307) 6.124 11.576 ( 3.699 0.000 7.722) 8.562 11.637 ( 9.324 0.000 12.917) 15.931 11.685 ( -5.094 -0.000 0.846) 5.163 12.089 ( -6.208 -0.000 -3.301) 7.031 12.440 ( -2.333 -0.000 -3.875) 4.523 12.500 ( -0.428 -0.000 -1.835) 1.884 12.912 ( 5.165 0.000 8.455) 9.908 12.985 ( 0.761 0.000 -0.443) 0.880 12.992 ( 1.062 0.000 -11.123) 11.174 13.352 ( -16.791 -0.000 -9.707) 19.395 13.494 ( 2.958 0.000 -0.103) 2.960 13.633 ( 4.006 0.000 -1.638) 4.328 13.687 ( 5.236 0.000 3.561) 6.332 14.368 ( -23.702 -0.000 -31.807) 39.667 14.578 ( 1.519 0.000 -3.419) 3.742 14.628 ( 0.706 0.000 -2.488) 2.587 14.833 ( -1.702 -0.000 5.664) 5.914 15.102 ( -1.786 -0.000 -1.500) 2.332 15.197 ( 3.062 0.000 -1.364) 3.352 15.631 ( -14.219 -0.000 -13.284) 19.459 16.315 ( 1.145 0.000 4.377) 4.525 16.593 ( 0.437 0.000 1.745) 1.799 16.688 ( 1.987 0.000 -0.382) 2.023 16.944 ( 0.621 0.000 0.735) 0.963 17.074 ( 4.502 0.000 -3.707) 5.831 17.201 ( -1.701 -0.000 -0.057) 1.702 17.352 ( -2.719 -0.000 6.493) 7.040 19.724 ( -5.498 -0.000 -1.667) 5.745 20.144 ( -0.586 -0.000 1.313) 1.438 20.885 ( -1.477 -0.000 0.558) 1.579 21.084 ( 1.896 0.000 1.331) 2.316 22.015 ( 8.118 0.000 15.649) 17.630 22.272 ( 1.975 0.000 -2.521) 3.202 23.207 ( -0.909 -0.000 3.036) 3.169 23.499 ( 1.878 0.000 -1.687) 2.524 26.967 ( -0.286 -0.000 -0.035) 0.288 26.979 ( -0.109 -0.000 -0.054) 0.122 29.403 ( -1.542 -0.000 -1.042) 1.861 29.439 ( -0.455 -0.000 1.704) 1.764 30.619 ( -47.518 -0.000 -72.628) 86.792 30.783 ( 0.488 0.000 0.906) 1.029 30.912 ( -1.151 -0.000 -3.363) 3.554 30.918 ( -4.334 -0.000 6.580) 7.879 31.524 ( -0.776 -0.000 5.538) 5.592 31.681 ( 3.894 0.000 -1.419) 4.144 31.899 ( -2.473 -0.000 -0.448) 2.513 32.086 ( -2.953 -0.000 -0.622) 3.017 32.595 ( -13.302 -0.000 -19.635) 23.717 32.645 ( 0.115 0.000 1.195) 1.200 33.573 ( 0.050 0.000 0.878) 0.879 34.032 ( 5.080 0.000 -3.186) 5.996 35.299 ( -0.841 -0.000 1.685) 1.883 35.444 ( 0.281 0.000 -1.619) 1.643 35.539 ( -1.997 -0.000 1.843) 2.717 36.045 ( 4.667 0.000 -2.910) 5.500 36.156 ( -2.766 -0.000 0.161) 2.771 36.492 ( -1.630 -0.000 0.762) 1.799 38.305 ( 3.776 0.000 -8.978) 9.740 38.531 ( 33.128 0.000 51.306) 61.072 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 13.295 0.000 29.831) 32.659 1.436 ( -0.364 -0.000 27.346) 27.348 2.181 ( 4.272 0.000 31.554) 31.842 2.328 ( 0.272 0.000 -9.148) 9.152 2.652 ( -5.289 -0.000 -4.135) 6.714 2.925 ( 4.510 0.000 3.204) 5.533 3.002 ( -1.170 -0.000 4.703) 4.846 3.255 ( 0.646 0.000 -10.257) 10.277 3.460 ( -2.605 -0.000 -16.228) 16.436 3.514 ( 4.475 0.000 -1.823) 4.833 3.819 ( 6.317 0.000 2.733) 6.883 3.849 ( 1.352 0.000 -4.077) 4.295 4.059 ( 9.137 0.000 9.894) 13.467 4.139 ( 1.048 0.000 -0.123) 1.055 4.270 ( -5.126 -0.000 7.741) 9.284 4.504 ( -2.600 -0.000 -1.237) 2.879 4.676 ( 3.046 0.000 -9.861) 10.321 4.861 ( -9.199 -0.000 -7.680) 11.983 4.984 ( -2.436 -0.000 1.612) 2.921 5.111 ( -2.971 -0.000 -6.422) 7.076 5.478 ( -3.640 -0.000 0.281) 3.650 5.513 ( 2.224 0.000 -7.856) 8.164 5.791 ( 1.735 0.000 13.884) 13.992 5.915 ( -2.741 -0.000 2.924) 4.008 6.250 ( -5.888 -0.000 6.288) 8.614 6.359 ( 0.794 0.000 2.963) 3.067 6.466 ( 10.282 0.000 -4.473) 11.212 6.581 ( 1.006 0.000 0.789) 1.279 6.735 ( -8.259 -0.000 0.007) 8.259 6.798 ( 0.757 0.000 -2.268) 2.391 7.850 ( 6.995 0.000 4.169) 8.144 8.005 ( -10.094 -0.000 -5.061) 11.292 8.217 ( -0.864 -0.000 -0.480) 0.988 8.342 ( -2.797 -0.000 -2.961) 4.073 9.104 ( 5.590 0.000 3.179) 6.431 9.189 ( -3.725 -0.000 4.325) 5.708 9.192 ( 8.701 0.000 3.693) 9.452 9.251 ( -0.647 -0.000 -0.279) 0.705 9.609 ( -0.103 -0.000 4.476) 4.477 9.670 ( 0.776 0.000 -1.362) 1.568 9.701 ( 3.728 0.000 -1.647) 4.075 9.792 ( -13.401 -0.000 -7.353) 15.286 10.062 ( 8.958 0.000 3.094) 9.477 10.210 ( -4.772 -0.000 -3.395) 5.856 10.645 ( -6.119 -0.000 5.538) 8.253 10.866 ( 2.305 0.000 -5.856) 6.294 11.172 ( 0.286 0.000 0.616) 0.679 11.308 ( -6.579 -0.000 -3.718) 7.557 11.413 ( -8.326 -0.000 1.377) 8.439 11.483 ( 7.390 0.000 -4.175) 8.488 11.687 ( 3.170 0.000 5.830) 6.636 11.882 ( -2.430 -0.000 -2.385) 3.405 12.463 ( 0.258 0.000 5.833) 5.838 12.477 ( 1.856 0.000 0.816) 2.027 12.558 ( 6.636 0.000 2.518) 7.098 12.624 ( 0.628 0.000 5.576) 5.611 12.778 ( 8.738 0.000 -7.276) 11.371 12.880 ( -1.532 -0.000 -3.868) 4.161 13.434 ( -4.587 -0.000 2.611) 5.278 13.492 ( 0.501 0.000 -2.629) 2.676 13.638 ( -2.667 -0.000 -1.321) 2.976 13.638 ( 2.187 0.000 0.596) 2.267 14.474 ( 0.707 0.000 -2.320) 2.425 14.544 ( -0.320 -0.000 -3.740) 3.753 14.974 ( 10.752 0.000 2.140) 10.963 14.976 ( -3.573 -0.000 3.868) 5.265 15.163 ( 3.587 0.000 2.976) 4.661 15.277 ( 2.687 0.000 -0.264) 2.700 15.718 ( 23.753 0.000 3.181) 23.965 15.974 ( -18.632 -0.000 -8.079) 20.308 16.755 ( 0.081 0.000 1.522) 1.524 16.768 ( 2.035 0.000 0.863) 2.211 16.980 ( -1.201 -0.000 1.852) 2.207 17.048 ( 1.642 0.000 -1.136) 1.997 17.298 ( 6.301 0.000 4.094) 7.514 17.410 ( -7.522 -0.000 0.861) 7.571 19.683 ( 3.788 0.000 1.239) 3.985 19.896 ( -6.009 -0.000 -7.947) 9.963 20.901 ( -0.462 -0.000 1.600) 1.665 21.002 ( -0.870 -0.000 -2.528) 2.674 22.180 ( -5.450 -0.000 1.404) 5.628 22.253 ( 4.397 0.000 -1.766) 4.738 23.273 ( -2.133 -0.000 3.682) 4.255 23.443 ( 1.977 0.000 -3.467) 3.991 26.964 ( -0.069 -0.000 0.017) 0.071 26.970 ( -0.083 -0.000 -0.262) 0.275 29.413 ( 4.775 0.000 4.100) 6.294 29.504 ( -2.257 -0.000 1.164) 2.540 30.742 ( -2.170 -0.000 0.171) 2.177 30.829 ( -0.750 -0.000 -3.130) 3.218 30.916 ( -13.079 -0.000 3.462) 13.529 31.185 ( 36.548 0.000 -6.888) 37.192 31.558 ( -12.875 -0.000 2.444) 13.105 31.631 ( 23.969 0.000 -1.623) 24.024 32.012 ( 2.266 0.000 3.542) 4.205 32.077 ( 0.889 0.000 0.247) 0.923 32.627 ( 5.142 0.000 5.820) 7.766 32.738 ( -0.211 -0.000 2.121) 2.131 33.587 ( -3.471 -0.000 3.669) 5.051 33.949 ( 5.429 0.000 -8.311) 9.927 35.365 ( -1.551 -0.000 2.690) 3.105 35.424 ( 1.713 0.000 -0.508) 1.786 35.631 ( -2.932 -0.000 6.284) 6.934 35.938 ( 2.366 0.000 -6.627) 7.037 36.115 ( -1.364 -0.000 1.085) 1.743 36.316 ( -3.785 -0.000 -6.416) 7.450 38.316 ( -40.007 -0.000 0.319) 40.008 38.339 ( 20.561 0.000 -1.119) 20.591 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 11.976 -5.312 20.242) 24.112 1.669 ( 1.865 -6.502 22.881) 23.860 2.207 ( 4.888 5.954 -13.079) 15.179 2.407 ( 10.552 -6.902 -1.604) 12.710 2.716 ( 4.863 1.389 6.626) 8.335 2.867 ( 0.458 -12.386 5.666) 13.628 2.926 ( -1.377 5.887 9.143) 10.961 3.387 ( 3.968 -5.036 -0.864) 6.470 3.548 ( -1.001 -8.290 -8.130) 11.654 3.602 ( -0.892 -11.552 -9.165) 14.773 3.786 ( -3.041 2.604 -7.264) 8.295 3.906 ( 4.830 -3.934 -5.826) 8.529 4.036 ( 0.014 6.912 8.561) 11.003 4.085 ( -2.713 3.473 -2.349) 4.994 4.297 ( -1.343 -0.091 5.389) 5.555 4.610 ( 1.991 -3.374 12.494) 13.094 4.615 ( -1.460 0.193 -5.678) 5.866 4.803 ( -3.837 -4.575 -3.207) 6.778 4.923 ( -5.174 2.777 -0.462) 5.891 5.083 ( -2.985 -3.892 -8.585) 9.887 5.386 ( -3.725 4.805 -2.250) 6.483 5.502 ( 6.216 2.349 -3.967) 7.739 5.897 ( -3.281 -1.839 7.348) 8.255 5.935 ( -5.656 -4.676 5.904) 9.419 6.189 ( -5.291 4.392 4.553) 8.247 6.294 ( -4.215 6.600 4.419) 8.991 6.419 ( 6.683 7.467 -2.712) 10.382 6.625 ( 0.232 -0.519 -5.144) 5.175 6.673 ( -0.209 2.066 0.377) 2.111 6.714 ( 0.563 6.121 -0.590) 6.175 7.917 ( -5.714 0.458 -1.444) 5.912 7.936 ( 5.222 -1.039 2.690) 5.966 8.215 ( 2.377 2.119 2.184) 3.862 8.307 ( 1.455 -0.127 -3.800) 4.071 9.086 ( -1.799 7.954 2.672) 8.581 9.149 ( 0.421 3.231 -0.019) 3.258 9.199 ( -3.666 0.991 -1.535) 4.096 9.305 ( 8.772 -2.078 1.247) 9.101 9.605 ( -1.795 0.814 3.156) 3.721 9.651 ( -11.235 -0.102 -4.665) 12.165 9.708 ( 1.903 -2.578 0.895) 3.327 9.807 ( 9.538 -3.938 1.326) 10.404 10.161 ( -7.661 -2.689 -3.832) 8.978 10.179 ( 9.154 -2.287 3.725) 10.144 10.600 ( -3.278 3.998 4.967) 7.169 10.822 ( 5.894 5.667 -2.786) 8.638 11.153 ( -7.414 1.715 1.322) 7.724 11.258 ( -2.187 -2.450 -2.136) 3.917 11.308 ( 1.183 6.430 1.783) 6.776 11.517 ( 7.900 1.178 -4.128) 8.991 11.786 ( 3.707 -3.642 5.874) 7.843 11.864 ( -2.127 -1.840 -2.181) 3.559 12.327 ( -0.832 11.036 5.729) 12.462 12.489 ( 4.755 6.618 -0.974) 8.208 12.510 ( -0.582 6.136 2.609) 6.693 12.610 ( -1.024 2.330 -4.171) 4.886 12.817 ( 2.832 0.238 -0.376) 2.866 12.873 ( -0.423 -2.343 -4.647) 5.221 13.344 ( -5.933 3.584 3.202) 7.636 13.516 ( 2.953 0.069 -3.033) 4.233 13.666 ( 0.169 -4.984 3.116) 5.881 13.700 ( -2.895 -5.877 -0.237) 6.556 14.515 ( -0.403 -0.641 -2.416) 2.532 14.541 ( 3.120 -0.765 -1.968) 3.767 14.958 ( -0.216 -4.366 6.623) 7.936 15.082 ( -3.591 -5.112 -3.626) 7.223 15.304 ( -3.647 -9.006 -0.417) 9.725 15.411 ( 2.796 -12.524 -2.304) 13.037 15.795 ( -11.174 -1.985 -3.324) 11.826 16.013 ( 16.344 -7.358 -3.740) 18.310 16.674 ( -0.574 7.546 2.246) 7.895 16.736 ( -1.211 3.672 -2.324) 4.511 16.992 ( -1.945 -1.499 1.453) 2.854 17.070 ( 0.590 -2.516 -2.168) 3.373 17.388 ( -3.501 -2.660 1.042) 4.519 17.411 ( 3.656 -3.599 3.205) 6.049 19.754 ( 6.260 -1.873 2.128) 6.872 19.842 ( -0.733 -2.824 -7.256) 7.821 20.839 ( -1.009 6.855 2.689) 7.432 20.946 ( 0.693 4.528 -2.545) 5.240 22.210 ( -6.208 -7.181 2.228) 9.750 22.347 ( 3.739 -7.375 -1.702) 8.442 23.211 ( -2.465 6.724 4.629) 8.528 23.402 ( 2.467 4.237 -4.009) 6.333 27.070 ( 0.192 -11.554 1.419) 11.642 27.162 ( -1.880 -19.676 -5.857) 20.615 29.334 ( -1.007 14.287 1.242) 14.377 29.374 ( 4.519 12.333 1.691) 13.244 30.763 ( -1.523 -3.342 1.668) 4.034 30.831 ( -1.684 -3.138 -2.745) 4.497 30.903 ( -15.201 -9.048 2.949) 17.935 31.292 ( 4.179 -2.423 -6.514) 8.110 31.503 ( -7.652 -1.744 -1.389) 7.970 31.818 ( 21.032 5.570 -3.274) 22.002 31.980 ( -1.970 5.778 1.518) 6.290 32.161 ( 25.638 -3.381 -3.909) 26.153 32.766 ( 9.202 -4.935 3.085) 10.888 32.819 ( 0.721 -7.532 -0.212) 7.569 33.564 ( -4.453 1.902 5.031) 6.983 33.908 ( 4.668 3.392 -8.846) 10.561 35.378 ( -1.696 -1.357 2.140) 3.050 35.436 ( 1.293 -0.366 -0.199) 1.358 35.671 ( -3.396 -2.706 7.364) 8.549 35.910 ( 0.995 0.494 -3.423) 3.598 36.188 ( 0.362 -7.296 -1.562) 7.470 36.250 ( -2.510 0.418 -4.973) 5.586 37.884 ( -38.349 12.783 8.991) 41.411 38.416 ( 19.260 8.946 0.095) 21.236 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 2.783 -8.244 8.748) 12.338 1.939 ( 7.778 -10.474 10.489) 16.740 2.185 ( 9.702 -4.932 -4.655) 11.837 2.505 ( 15.257 -0.221 -14.437) 21.005 2.886 ( -5.628 -12.651 4.161) 14.458 2.988 ( 7.035 -3.693 11.704) 14.146 3.207 ( -1.915 -9.909 -2.920) 10.506 3.356 ( 2.653 3.606 -1.729) 4.800 3.493 ( -4.395 5.696 -0.154) 7.196 3.679 ( -7.728 -1.018 -9.432) 12.237 3.786 ( 6.154 -4.061 -1.514) 7.527 3.883 ( 0.690 0.422 -8.980) 9.017 3.959 ( -5.553 -0.997 1.485) 5.833 4.068 ( 0.379 -0.898 0.344) 1.033 4.330 ( 1.214 -0.097 9.427) 9.506 4.523 ( -1.890 3.223 -3.989) 5.465 4.751 ( -2.543 -0.840 3.769) 4.623 4.859 ( 0.674 -1.108 0.266) 1.324 4.934 ( -4.121 -8.065 7.020) 11.459 5.150 ( 3.227 -8.461 -3.204) 9.605 5.262 ( -2.443 2.963 -2.851) 4.783 5.467 ( 6.040 3.539 -5.337) 8.803 5.856 ( -13.747 1.492 3.527) 14.270 5.967 ( -5.105 1.965 3.868) 6.700 6.106 ( -2.532 7.411 8.487) 11.548 6.213 ( 3.031 -0.411 1.230) 3.297 6.266 ( -3.238 10.561 -6.956) 13.054 6.502 ( 3.555 4.093 -5.164) 7.487 6.658 ( 1.941 3.567 5.738) 7.030 6.687 ( 0.646 -0.565 -2.777) 2.906 7.869 ( -3.737 0.472 -0.222) 3.773 7.999 ( 6.155 0.471 1.456) 6.343 8.189 ( -1.401 1.284 0.457) 1.955 8.331 ( 3.125 -1.141 -2.441) 4.126 8.956 ( -2.354 3.748 2.519) 5.092 9.018 ( -1.869 4.361 -3.439) 5.860 9.231 ( 2.204 -0.340 3.238) 3.932 9.365 ( 4.244 1.332 -1.389) 4.660 9.540 ( -6.711 2.135 -1.178) 7.141 9.594 ( -0.168 2.081 0.708) 2.204 9.787 ( 4.492 -3.150 3.291) 6.398 9.908 ( 7.077 2.846 -3.134) 8.247 10.155 ( -9.191 -6.660 -2.667) 11.659 10.302 ( 4.306 -2.290 3.958) 6.281 10.511 ( -1.055 6.910 4.494) 8.310 10.732 ( 6.936 8.254 -2.097) 10.983 11.087 ( -4.291 0.879 2.842) 5.222 11.248 ( 1.422 1.375 2.152) 2.923 11.316 ( 3.611 -2.084 1.414) 4.402 11.523 ( 6.489 1.725 -4.316) 7.981 11.870 ( -3.745 -2.766 -2.108) 5.111 11.927 ( 6.349 -2.631 4.107) 8.006 12.198 ( -3.028 2.637 2.614) 4.792 12.340 ( -1.005 7.613 -3.306) 8.360 12.411 ( 1.374 6.054 0.273) 6.214 12.494 ( -1.455 6.056 -4.157) 7.488 12.815 ( -2.107 2.866 -0.482) 3.590 12.854 ( -1.487 -0.673 -0.603) 1.740 13.295 ( -2.741 0.296 3.153) 4.189 13.490 ( 2.973 2.135 -2.529) 4.449 13.761 ( -9.354 -6.761 -3.473) 12.053 13.846 ( 3.519 -7.691 6.461) 10.643 14.458 ( -3.560 1.107 -5.843) 6.931 14.520 ( 5.732 6.460 1.174) 8.716 15.093 ( -3.476 -8.235 3.083) 9.455 15.175 ( -0.054 -5.501 -0.337) 5.512 15.432 ( -4.005 -10.280 1.705) 11.164 15.583 ( -5.550 -7.541 -5.863) 11.048 15.830 ( -1.720 -7.246 -0.091) 7.447 16.172 ( 11.171 -1.669 0.638) 11.313 16.551 ( -1.749 5.421 3.104) 6.487 16.637 ( -4.672 1.708 -7.155) 8.714 17.028 ( -1.603 -3.271 0.604) 3.693 17.133 ( 1.684 -5.083 -2.005) 5.718 17.403 ( -3.412 -1.638 0.092) 3.786 17.514 ( 3.604 -1.964 2.846) 4.995 19.857 ( 5.427 -3.418 1.615) 6.614 19.917 ( 3.915 -8.070 -6.129) 10.864 20.696 ( -2.200 9.404 3.317) 10.211 20.830 ( 1.995 7.614 -2.601) 8.290 22.345 ( -5.677 -11.032 2.647) 12.686 22.522 ( 2.638 -9.841 -2.087) 10.400 23.075 ( -3.295 8.758 5.366) 10.787 23.294 ( 3.418 7.704 -3.796) 9.244 27.384 ( 0.788 -20.384 5.284) 21.072 27.482 ( -3.765 -22.515 -9.037) 24.551 28.969 ( -5.497 20.805 -2.080) 21.619 29.185 ( 10.917 17.388 2.440) 20.676 30.823 ( -3.587 -4.875 1.195) 6.169 30.880 ( -2.980 -5.745 -1.609) 6.669 31.016 ( -13.300 -13.114 0.844) 18.697 31.351 ( 1.362 -3.705 -1.695) 4.296 31.476 ( -2.344 -0.593 -0.144) 2.422 31.743 ( 5.525 9.549 -1.123) 11.089 31.861 ( -2.943 5.364 -1.859) 6.394 32.389 ( 28.408 -0.193 -9.450) 29.939 32.925 ( 5.026 -6.022 -0.945) 7.901 32.999 ( 5.535 -9.054 -0.124) 10.613 33.506 ( -5.690 3.707 5.908) 9.001 33.808 ( 3.322 5.859 -7.841) 10.337 35.407 ( -1.731 -2.113 1.403) 3.071 35.458 ( 0.751 -1.270 -0.052) 1.476 35.745 ( -4.263 -3.500 8.109) 9.808 35.903 ( 0.918 0.138 -0.338) 0.987 36.213 ( -1.834 -0.854 -0.459) 2.075 36.339 ( 1.834 -9.166 -4.437) 10.348 37.472 ( -28.708 9.396 11.108) 32.185 38.317 ( 15.910 16.316 -2.013) 22.877 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.120 -12.547 -0.205) 12.549 2.258 ( 8.351 -13.626 1.684) 16.070 2.406 ( 4.988 -10.021 -4.037) 11.900 2.542 ( 9.514 -2.911 -7.245) 12.308 2.869 ( -8.141 8.069 -6.306) 13.082 3.045 ( -6.248 7.449 -2.304) 9.992 3.226 ( 3.527 -8.823 5.140) 10.803 3.419 ( 4.550 1.239 0.571) 4.750 3.436 ( -4.844 -4.436 0.971) 6.639 3.599 ( 2.136 0.599 0.330) 2.242 3.788 ( -1.971 4.165 -0.976) 4.710 3.865 ( -7.388 2.510 -3.208) 8.436 3.923 ( 11.442 -2.718 -7.729) 14.072 4.179 ( 1.962 0.863 5.634) 6.028 4.318 ( -5.149 4.080 1.525) 6.744 4.505 ( 5.897 -1.380 7.030) 9.279 4.709 ( -7.486 -2.843 -12.427) 14.783 4.931 ( 6.258 2.809 12.257) 14.046 4.955 ( -0.927 2.163 0.004) 2.353 5.148 ( -1.371 2.417 -1.718) 3.267 5.429 ( 1.983 -10.142 3.916) 11.051 5.453 ( 3.450 -2.574 -5.110) 6.682 5.714 ( -8.844 5.083 -1.839) 10.365 5.887 ( -8.988 1.359 5.962) 10.871 6.003 ( -5.521 3.805 -6.545) 9.370 6.044 ( 1.880 5.397 5.476) 7.916 6.291 ( 6.924 -2.673 -2.234) 7.751 6.498 ( 2.882 0.724 1.258) 3.227 6.589 ( -5.238 3.697 2.805) 6.999 6.732 ( 3.027 -3.003 -1.201) 4.430 7.841 ( -2.325 -0.480 -0.217) 2.384 7.992 ( 0.748 2.856 -3.893) 4.886 8.160 ( -5.517 -0.186 0.169) 5.522 8.384 ( 5.962 -2.467 1.208) 6.564 8.947 ( -0.054 1.108 -0.777) 1.354 8.987 ( 2.522 -3.120 4.212) 5.817 9.254 ( 2.203 2.618 5.269) 6.283 9.342 ( 2.324 1.994 -2.529) 3.972 9.469 ( -1.644 0.875 -0.542) 1.940 9.534 ( 0.621 4.877 0.666) 4.961 9.828 ( 1.711 2.326 -3.902) 4.855 9.924 ( 4.025 -3.986 1.877) 5.968 10.120 ( -9.531 1.542 -5.827) 11.277 10.370 ( -1.306 -1.602 2.603) 3.324 10.418 ( 0.173 4.947 3.597) 6.119 10.611 ( 6.281 8.926 -3.765) 11.545 11.073 ( -2.748 0.483 5.236) 5.933 11.302 ( 5.069 -1.973 2.242) 5.883 11.387 ( 2.309 -2.110 1.502) 3.470 11.501 ( 3.220 2.626 -2.856) 5.042 11.814 ( -4.414 3.404 -4.087) 6.912 11.974 ( 4.633 4.736 1.774) 6.858 12.222 ( -6.012 -4.326 -5.168) 9.032 12.287 ( 0.742 -4.072 2.205) 4.690 12.341 ( 2.482 5.489 2.235) 6.426 12.390 ( 0.795 -3.165 -2.036) 3.846 12.715 ( -1.565 4.448 0.669) 4.762 12.833 ( 0.306 4.707 0.557) 4.750 13.301 ( -1.626 -0.972 3.521) 3.998 13.510 ( 3.394 -2.618 -1.588) 4.570 13.752 ( -11.969 -4.844 -5.640) 14.090 13.924 ( -0.410 4.825 2.112) 5.283 14.388 ( -0.297 3.928 -4.472) 5.960 14.510 ( 3.561 -4.298 1.821) 5.871 15.208 ( -3.471 -6.261 -0.670) 7.190 15.273 ( -0.129 -4.822 4.838) 6.831 15.488 ( -3.658 3.650 -4.236) 6.682 15.617 ( 0.671 -3.412 2.797) 4.463 15.934 ( -1.101 -5.325 0.510) 5.461 16.290 ( 4.847 -1.645 1.902) 5.461 16.474 ( -5.874 4.687 -3.056) 8.112 16.592 ( 3.165 -5.353 -0.927) 6.287 17.076 ( -1.495 -3.430 -1.490) 4.027 17.239 ( 1.626 -5.358 -0.330) 5.609 17.390 ( -2.139 0.789 0.617) 2.362 17.567 ( 1.534 -0.574 1.836) 2.460 19.979 ( 3.343 -5.771 0.694) 6.705 20.094 ( 5.445 -9.986 -4.664) 12.293 20.519 ( -3.449 9.318 2.886) 10.346 20.690 ( 2.131 7.934 -2.485) 8.583 22.530 ( -4.231 -11.845 2.708) 12.866 22.684 ( 1.423 -6.237 -1.430) 6.555 22.929 ( -3.006 6.323 3.721) 7.928 23.145 ( 3.577 9.820 -2.865) 10.837 27.791 ( -3.425 -21.598 -5.506) 22.550 27.841 ( 0.275 -23.989 6.520) 24.861 28.525 ( -4.884 22.738 -1.966) 23.340 28.967 ( 13.142 17.762 -0.056) 22.095 30.908 ( -4.776 -7.603 1.489) 9.102 30.960 ( -4.342 -6.243 -0.287) 7.610 31.137 ( -5.843 -8.716 -1.701) 10.631 31.360 ( 0.721 1.961 -1.909) 2.830 31.489 ( 1.173 2.117 0.632) 2.501 31.649 ( 2.071 3.263 1.193) 4.045 31.712 ( -7.290 3.703 -2.536) 8.561 32.477 ( 22.652 5.798 -11.443) 26.032 33.053 ( 2.579 -5.208 -0.253) 5.817 33.203 ( 5.896 -9.061 -0.983) 10.855 33.411 ( -6.833 4.831 4.988) 9.741 33.672 ( 1.411 6.842 -5.353) 8.801 35.436 ( -1.671 -1.667 0.833) 2.503 35.486 ( 0.265 -1.183 0.057) 1.214 35.799 ( -4.049 -0.772 7.433) 8.499 35.917 ( 0.912 -1.031 0.673) 1.532 36.248 ( -2.959 -3.595 4.617) 6.557 36.465 ( 0.504 -5.004 -1.607) 5.280 37.265 ( -15.911 -1.060 5.258) 16.790 38.090 ( 11.844 17.713 -4.904) 21.865 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -12.069 7.170 -9.065) 16.711 2.332 ( -3.941 12.149 2.671) 13.048 2.450 ( -5.990 -4.189 -10.281) 12.615 2.755 ( 7.429 -4.211 6.041) 10.460 2.828 ( -0.266 6.723 -6.297) 9.215 2.861 ( 3.420 -16.273 1.728) 16.718 3.312 ( -1.074 3.948 1.039) 4.221 3.434 ( -1.602 -3.415 -11.597) 12.195 3.512 ( 0.674 4.307 1.089) 4.494 3.607 ( 7.817 7.243 5.718) 12.094 3.694 ( 2.715 3.996 1.475) 5.051 3.784 ( 2.364 -4.260 3.345) 5.910 4.032 ( -2.505 2.715 -0.520) 3.730 4.087 ( -3.120 6.079 2.916) 7.429 4.163 ( 5.923 3.601 -1.623) 7.119 4.528 ( -8.397 -2.302 -4.932) 10.007 4.797 ( 6.635 -5.110 2.682) 8.794 4.854 ( 3.311 1.603 4.993) 6.202 5.027 ( 4.089 1.060 -0.048) 4.224 5.173 ( 2.341 -4.499 4.076) 6.507 5.477 ( 1.952 -1.048 -5.798) 6.207 5.547 ( -2.466 3.332 1.043) 4.275 5.565 ( -5.328 -4.431 -4.186) 8.096 5.858 ( -6.383 -1.203 2.761) 7.058 5.946 ( 0.578 0.436 -2.922) 3.010 6.061 ( 2.155 -1.992 4.562) 5.424 6.377 ( 7.957 -0.027 -3.274) 8.605 6.426 ( -3.110 5.738 3.983) 7.646 6.562 ( -6.019 -1.855 1.836) 6.560 6.802 ( 1.310 -3.558 -1.645) 4.133 7.861 ( -0.230 -2.780 0.110) 2.792 7.900 ( -4.086 2.318 -4.902) 6.790 8.130 ( -4.538 -1.509 0.537) 4.812 8.474 ( 5.199 -0.560 0.884) 5.303 8.957 ( 2.807 0.595 3.321) 4.389 9.068 ( 0.179 -0.966 1.239) 1.581 9.263 ( 1.964 0.226 8.154) 8.390 9.307 ( 1.260 1.636 -3.293) 3.887 9.461 ( 0.253 1.098 -0.876) 1.427 9.500 ( 0.126 -2.432 -0.839) 2.576 9.825 ( 3.600 2.029 1.932) 4.562 9.940 ( -6.844 1.991 -7.213) 10.141 10.020 ( 1.064 -2.909 -1.273) 3.349 10.328 ( 2.638 6.450 2.547) 7.420 10.394 ( -5.711 -1.159 0.639) 5.863 10.516 ( 2.740 1.384 -3.277) 4.491 11.086 ( -4.227 -1.339 6.223) 7.641 11.355 ( 4.660 0.904 -1.462) 4.967 11.455 ( -1.439 0.985 2.773) 3.275 11.459 ( 2.104 -0.985 1.509) 2.771 11.678 ( -1.608 5.471 -5.089) 7.644 11.900 ( 0.900 4.940 0.515) 5.048 12.219 ( 0.026 3.605 -0.880) 3.711 12.270 ( -4.805 -6.760 -2.822) 8.761 12.399 ( 3.335 -3.979 0.815) 5.256 12.588 ( 3.122 -8.156 0.300) 8.739 12.685 ( 1.757 6.751 1.734) 7.188 12.693 ( 0.955 0.870 0.467) 1.374 13.344 ( -0.776 -1.271 4.539) 4.777 13.572 ( 1.383 -2.790 -3.049) 4.359 13.716 ( -7.311 -0.854 -3.095) 7.984 13.787 ( -0.498 4.938 -0.349) 4.976 14.274 ( -2.403 5.418 -1.065) 6.021 14.644 ( 0.634 -4.698 -0.779) 4.805 15.253 ( -1.468 7.412 -1.074) 7.632 15.300 ( -2.458 -7.999 -1.058) 8.435 15.458 ( 3.499 -1.566 3.932) 5.492 15.658 ( 3.865 2.006 3.376) 5.510 16.026 ( -2.999 -5.204 -0.950) 6.081 16.257 ( -3.230 3.661 -3.246) 5.863 16.332 ( -3.736 5.913 3.683) 7.904 16.781 ( 10.419 -8.134 -2.778) 13.506 17.099 ( -0.968 -1.371 -2.929) 3.376 17.313 ( 1.730 0.014 0.665) 1.854 17.360 ( -2.956 -0.229 0.814) 3.075 17.583 ( -0.259 0.584 1.413) 1.551 20.104 ( 2.130 -4.986 -1.558) 5.641 20.195 ( -0.214 4.352 -0.815) 4.433 20.438 ( 0.675 -5.490 -0.692) 5.574 20.572 ( 0.833 4.342 -1.243) 4.592 22.638 ( -2.699 7.778 4.338) 9.306 22.723 ( -0.983 -6.528 2.204) 6.960 22.923 ( 2.005 -0.184 -3.041) 3.647 23.008 ( 1.482 0.370 -1.081) 1.871 28.074 ( -3.683 22.812 -0.786) 23.121 28.109 ( -1.470 -19.368 -3.867) 19.805 28.305 ( -0.541 -22.064 7.801) 23.409 28.765 ( 13.082 14.289 -4.852) 19.971 30.988 ( -3.993 0.529 0.493) 4.058 31.029 ( -3.450 -7.580 1.727) 8.506 31.187 ( 1.183 1.488 -3.308) 3.815 31.330 ( 1.728 0.817 -0.949) 2.134 31.432 ( -2.570 2.418 -2.090) 4.102 31.513 ( -4.153 -0.026 -8.067) 9.074 31.742 ( -3.646 -1.981 11.621) 12.339 32.413 ( 16.200 10.390 -11.918) 22.637 33.109 ( -0.542 2.334 1.260) 2.707 33.303 ( -3.993 2.345 1.867) 4.993 33.390 ( 4.603 -5.243 -1.146) 7.071 33.558 ( 0.015 1.660 -2.412) 2.928 35.444 ( -1.544 -0.087 0.824) 1.752 35.496 ( -0.054 0.328 0.037) 0.334 35.795 ( -3.044 2.279 6.854) 7.838 35.950 ( -0.524 -1.592 0.280) 1.699 36.321 ( -4.823 -3.681 5.608) 8.262 36.503 ( -1.739 -0.295 3.001) 3.481 37.328 ( -3.104 -11.777 -0.613) 12.195 37.861 ( 7.514 11.810 -5.183) 14.926 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -12.046 16.499 2.029) 20.529 2.016 ( -14.631 16.877 11.713) 25.221 2.374 ( -5.657 -0.594 -10.082) 11.576 2.678 ( 1.431 5.510 0.609) 5.725 2.928 ( 2.466 -4.073 -3.027) 5.642 3.002 ( -3.994 13.997 -1.961) 14.687 3.175 ( -1.170 26.610 -0.307) 26.638 3.245 ( 5.457 -7.717 -1.754) 9.613 3.414 ( 5.823 8.865 8.171) 13.389 3.543 ( -1.930 -2.378 -1.949) 3.630 3.751 ( 6.782 -1.579 3.696) 7.884 3.873 ( 4.997 3.927 2.378) 6.786 3.966 ( -2.376 3.626 -3.373) 5.493 4.028 ( -0.016 -9.404 4.814) 10.564 4.299 ( 2.713 -0.812 3.797) 4.737 4.557 ( -1.478 -12.085 -6.688) 13.891 4.842 ( 1.466 -1.972 -1.958) 3.142 4.968 ( 3.243 1.287 -3.214) 4.743 5.045 ( 1.030 -5.654 -0.662) 5.785 5.288 ( 2.096 -2.692 -4.128) 5.355 5.461 ( 4.084 2.265 0.527) 4.700 5.537 ( -0.903 -2.642 -0.131) 2.795 5.615 ( 2.492 -4.720 3.974) 6.654 5.840 ( -5.519 0.214 1.302) 5.674 5.907 ( 1.284 3.163 -3.132) 4.633 6.151 ( 3.030 -1.773 5.651) 6.653 6.297 ( 0.296 0.751 -2.893) 3.004 6.443 ( 0.726 1.423 3.322) 3.686 6.523 ( -5.001 0.977 -0.585) 5.129 6.851 ( -0.755 -2.651 -2.166) 3.506 7.810 ( -3.303 1.548 -3.240) 4.879 7.922 ( -1.185 -4.552 -0.198) 4.708 8.166 ( -0.121 -3.710 1.801) 4.126 8.482 ( -1.215 1.290 -1.678) 2.441 8.966 ( 3.779 3.618 6.168) 8.088 9.071 ( -1.012 -0.751 -1.257) 1.779 9.277 ( -0.546 0.195 -1.167) 1.303 9.353 ( 1.188 -1.765 4.700) 5.159 9.446 ( -4.177 -0.212 1.096) 4.323 9.534 ( 3.092 -1.375 -1.108) 3.560 9.716 ( -2.015 2.951 -2.599) 4.419 9.943 ( 0.295 2.894 -3.427) 4.495 10.061 ( 1.872 -4.249 -2.028) 5.066 10.314 ( 5.475 0.411 6.454) 8.473 10.370 ( -7.470 -2.561 2.323) 8.231 10.567 ( 0.074 -6.569 -2.635) 7.078 11.122 ( -4.885 -3.107 5.041) 7.676 11.361 ( 1.618 -0.674 -1.932) 2.609 11.402 ( -0.925 3.245 1.988) 3.916 11.529 ( 0.455 -1.034 4.053) 4.207 11.564 ( -1.398 1.832 -2.654) 3.514 11.851 ( 3.150 3.656 4.163) 6.373 12.176 ( 1.725 1.298 -2.558) 3.347 12.346 ( -3.041 -5.159 0.610) 6.020 12.444 ( -3.352 10.454 -2.414) 11.241 12.512 ( 2.286 -6.504 -3.596) 7.776 12.686 ( 3.467 -1.356 -0.412) 3.746 12.865 ( 2.718 -7.717 0.492) 8.196 13.372 ( -2.846 -1.338 4.017) 5.101 13.569 ( -0.081 5.087 -5.919) 7.805 13.591 ( 0.782 2.264 0.521) 2.451 13.879 ( 3.802 -8.042 5.001) 10.205 14.141 ( -4.466 6.557 -0.044) 7.933 14.645 ( -1.585 1.859 -1.712) 2.984 15.104 ( -0.142 7.794 1.433) 7.926 15.444 ( 0.467 -8.175 -2.373) 8.525 15.492 ( 4.655 4.286 0.188) 6.331 15.655 ( 3.683 5.049 0.030) 6.249 15.963 ( -6.218 2.498 0.031) 6.701 16.183 ( -4.190 7.717 4.898) 10.054 16.315 ( 1.556 -8.561 0.027) 8.701 16.936 ( 12.412 -1.003 -8.027) 14.815 17.080 ( -0.332 0.507 -4.262) 4.304 17.268 ( 0.801 4.789 0.092) 4.856 17.361 ( -2.631 0.033 0.957) 2.800 17.551 ( -2.160 2.643 1.560) 3.753 20.019 ( -4.394 9.410 -0.205) 10.387 20.126 ( 1.855 2.472 -5.855) 6.620 20.556 ( -1.183 -5.187 2.322) 5.805 20.640 ( 2.402 -10.873 -2.023) 11.317 22.471 ( -1.876 10.683 7.242) 13.042 22.670 ( 3.444 10.981 -3.826) 12.128 22.985 ( -1.814 -8.293 3.689) 9.256 23.145 ( 2.387 -9.868 -3.606) 10.774 27.655 ( -2.072 21.218 0.416) 21.323 28.338 ( 13.519 5.986 -5.755) 15.866 28.568 ( -0.362 -10.101 -7.980) 12.878 28.778 ( -3.490 -17.937 4.049) 18.716 30.877 ( -1.642 9.043 -0.399) 9.200 31.061 ( -1.192 4.595 -3.013) 5.622 31.098 ( 3.828 7.151 -3.540) 8.850 31.252 ( -4.190 -1.054 3.128) 5.334 31.524 ( 2.998 -8.800 0.892) 9.339 31.537 ( -1.540 -5.805 -3.234) 6.822 31.782 ( -6.681 0.182 10.585) 12.518 32.241 ( 9.805 12.593 -9.937) 18.800 32.976 ( -3.233 9.631 1.844) 10.325 33.207 ( -1.880 8.143 -0.144) 8.358 33.455 ( -0.724 -3.310 2.177) 4.027 33.654 ( 5.262 -8.161 -3.738) 10.405 35.425 ( -1.298 1.464 1.199) 2.295 35.475 ( -0.036 1.809 -0.079) 1.811 35.756 ( -3.056 3.728 7.249) 8.706 35.956 ( -1.941 -0.293 -0.861) 2.144 36.356 ( -3.597 -2.241 1.311) 4.436 36.494 ( -0.410 2.536 0.752) 2.677 37.589 ( 1.421 -17.191 1.728) 17.336 37.776 ( 2.902 -0.917 -1.423) 3.360 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -3.760 17.329 18.318) 25.495 1.688 ( -16.922 15.357 17.601) 28.844 2.298 ( -1.853 0.631 -7.753) 7.997 2.497 ( -6.956 26.912 4.647) 28.182 2.659 ( -2.631 4.809 1.604) 5.712 2.781 ( -6.632 2.045 5.481) 8.843 2.987 ( 4.858 7.093 2.397) 8.925 3.258 ( 4.074 6.304 8.527) 11.360 3.553 ( 12.454 -6.654 3.530) 14.554 3.619 ( 4.103 -4.831 -4.899) 8.011 3.781 ( 1.122 3.076 2.693) 4.240 3.876 ( 0.664 1.876 -3.306) 3.858 3.937 ( 7.503 -4.546 -4.574) 9.893 4.182 ( -1.242 -2.824 4.155) 5.174 4.259 ( -0.392 7.389 0.740) 7.436 4.662 ( -3.850 -3.473 -8.828) 10.238 4.858 ( -0.814 -3.129 -7.551) 8.214 4.945 ( 0.411 0.724 -5.193) 5.259 5.055 ( -4.060 2.019 -8.908) 9.996 5.288 ( 4.099 0.672 -1.573) 4.441 5.424 ( 0.262 1.783 -0.859) 1.997 5.592 ( -0.978 -1.472 -3.142) 3.605 5.743 ( -1.178 0.959 3.684) 3.985 5.839 ( 4.486 -1.580 5.503) 7.274 5.914 ( 7.728 -6.288 5.625) 11.441 6.262 ( 4.443 -3.933 3.693) 6.989 6.350 ( -15.362 1.096 3.422) 15.777 6.387 ( 5.873 -8.640 -2.424) 10.725 6.515 ( 5.383 1.426 1.872) 5.875 6.860 ( -3.263 -1.307 -1.561) 3.846 7.773 ( 0.931 0.590 0.194) 1.119 8.009 ( -2.463 -6.821 -0.076) 7.253 8.264 ( -0.029 -5.856 0.337) 5.866 8.383 ( -8.079 2.982 -5.039) 9.978 8.986 ( 3.428 1.045 3.574) 5.061 9.085 ( 0.280 -2.821 -0.670) 2.913 9.240 ( 1.290 5.452 1.727) 5.863 9.318 ( -5.229 1.686 1.340) 5.655 9.477 ( 2.423 -1.036 4.552) 5.260 9.625 ( 4.462 -4.396 1.668) 6.482 9.718 ( -0.025 -3.653 -0.886) 3.759 9.817 ( -2.574 5.446 -2.643) 6.578 10.102 ( -0.537 0.924 0.763) 1.313 10.314 ( -1.043 1.978 0.180) 2.243 10.495 ( -4.883 -9.135 6.986) 12.494 10.698 ( 0.737 -9.072 -3.066) 9.604 11.185 ( -3.401 -5.361 2.154) 6.704 11.349 ( -4.405 -0.644 0.146) 4.455 11.384 ( -2.600 -0.123 -1.744) 3.133 11.495 ( 3.159 1.078 -4.046) 5.245 11.625 ( 0.482 -1.951 7.447) 7.713 11.869 ( 3.524 0.877 8.282) 9.044 12.114 ( 0.001 4.902 0.325) 4.913 12.317 ( -0.385 -1.918 -2.712) 3.344 12.419 ( -2.496 -4.722 0.396) 5.356 12.588 ( 3.173 -1.367 -3.635) 5.015 12.737 ( 3.903 -1.685 -1.192) 4.415 12.951 ( 0.833 -1.397 -3.441) 3.806 13.390 ( -6.749 -2.184 3.317) 7.830 13.486 ( 3.601 1.481 -3.357) 5.141 13.579 ( 2.063 0.944 1.318) 2.623 13.967 ( -3.688 9.111 -0.247) 9.832 14.129 ( 9.553 -9.203 8.352) 15.676 14.590 ( -0.724 1.658 -1.181) 2.160 14.994 ( 0.075 6.917 4.479) 8.241 15.341 ( -2.249 9.856 -5.533) 11.525 15.467 ( 7.481 11.187 2.588) 13.704 15.583 ( 0.105 -0.057 -8.489) 8.490 15.833 ( 0.764 11.775 1.096) 11.851 16.182 ( -4.125 -6.742 2.691) 8.349 16.489 ( 1.655 -8.417 0.095) 8.579 16.875 ( 9.809 10.341 -14.642) 20.433 17.021 ( 1.357 3.391 -2.545) 4.452 17.173 ( 0.027 5.457 -1.440) 5.644 17.322 ( -0.232 3.285 2.136) 3.925 17.505 ( -3.583 1.299 3.823) 5.398 19.827 ( -3.989 7.504 -0.836) 8.539 20.039 ( -1.042 2.236 -6.252) 6.721 20.689 ( -2.210 -8.442 3.321) 9.337 20.834 ( 1.665 -9.827 -2.498) 10.275 22.334 ( -0.708 8.159 7.668) 11.219 22.470 ( 4.123 11.563 -2.971) 12.631 23.129 ( -3.921 -7.310 3.075) 8.847 23.307 ( 2.779 -8.199 -4.540) 9.775 27.304 ( -0.680 17.156 1.015) 17.199 27.967 ( 8.707 29.808 -23.965) 39.225 28.859 ( -0.138 -19.889 0.713) 19.902 29.117 ( -3.700 -18.713 4.366) 19.569 30.694 ( 6.458 11.798 4.637) 14.226 30.930 ( 2.652 6.358 -2.816) 7.442 30.991 ( 4.380 6.758 -1.368) 8.168 31.266 ( -0.659 3.655 5.331) 6.497 31.623 ( -3.603 -4.705 1.627) 6.146 31.658 ( -2.823 -2.671 -1.915) 4.332 31.811 ( 0.190 -6.420 2.119) 6.763 32.043 ( 2.650 9.736 -1.223) 10.165 32.786 ( -1.811 10.337 3.149) 10.957 33.012 ( -2.172 11.206 0.871) 11.448 33.527 ( -1.785 -3.689 2.530) 4.816 33.810 ( 6.186 -6.607 -5.176) 10.427 35.393 ( -0.969 1.891 1.848) 2.816 35.440 ( 0.316 1.804 -0.258) 1.849 35.700 ( -3.418 4.163 7.099) 8.911 35.936 ( -1.006 -0.206 -2.011) 2.258 36.359 ( 0.894 2.716 -2.422) 3.748 36.401 ( -2.506 2.860 -4.577) 5.951 37.895 ( 13.141 -9.491 -8.649) 18.374 37.988 ( -14.224 -24.796 15.346) 32.445 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.548 15.838 23.329) 28.312 1.423 ( -7.482 13.911 26.232) 30.620 2.087 ( -1.886 14.911 32.682) 35.972 2.358 ( -7.840 -5.901 -10.838) 14.620 2.648 ( 5.582 -8.661 2.530) 10.610 2.802 ( 0.229 9.185 -0.099) 9.189 2.921 ( -5.408 -7.282 6.488) 11.152 3.290 ( 7.481 0.192 0.313) 7.490 3.624 ( 1.987 5.133 -11.010) 12.309 3.723 ( 0.800 4.163 1.234) 4.415 3.786 ( 7.515 -1.853 3.586) 8.530 3.849 ( 5.641 2.850 -4.088) 7.527 3.936 ( -1.340 11.607 -1.353) 11.763 4.072 ( 5.650 -4.844 -4.045) 8.471 4.247 ( -0.782 -0.117 8.145) 8.183 4.613 ( -5.052 1.229 -6.875) 8.620 4.750 ( -1.980 4.364 -10.865) 11.875 4.924 ( -3.217 -1.572 0.916) 3.696 4.979 ( -1.470 -1.960 -9.261) 9.579 5.219 ( -0.112 6.032 -4.289) 7.402 5.447 ( -1.957 -3.474 1.345) 4.208 5.545 ( -3.638 -2.478 -10.105) 11.022 5.753 ( 1.324 3.264 10.876) 11.432 5.910 ( 4.653 1.617 5.204) 7.165 6.183 ( 8.659 -8.573 3.020) 12.554 6.260 ( -8.921 -2.504 6.017) 11.048 6.394 ( 3.067 -3.916 -1.623) 5.232 6.559 ( 5.283 0.364 3.126) 6.149 6.628 ( 3.934 -12.001 0.539) 12.641 6.828 ( -6.287 -0.080 -0.331) 6.296 7.794 ( 5.108 0.993 3.033) 6.023 8.084 ( -7.132 -4.407 -4.125) 9.344 8.248 ( -6.475 0.631 -3.734) 7.501 8.346 ( -3.724 -4.280 -1.524) 5.875 9.022 ( 4.285 -1.747 1.009) 4.736 9.135 ( 2.159 0.224 0.879) 2.342 9.187 ( 0.354 2.143 4.161) 4.694 9.277 ( -3.027 0.417 2.015) 3.660 9.543 ( 4.800 -1.055 3.666) 6.131 9.689 ( -1.040 3.837 0.689) 4.035 9.708 ( 1.530 -1.380 -1.751) 2.703 9.849 ( 0.164 -5.901 0.598) 5.933 10.040 ( -1.129 3.955 0.370) 4.129 10.264 ( -3.297 1.031 -1.535) 3.780 10.617 ( -6.379 -5.050 6.109) 10.174 10.832 ( -0.804 -7.419 -5.579) 9.317 11.226 ( -0.723 3.137 -3.905) 5.061 11.338 ( -1.705 -2.328 1.277) 3.156 11.348 ( -9.214 -6.173 -0.903) 11.127 11.503 ( 0.597 -0.742 -3.777) 3.896 11.664 ( 2.528 2.205 5.040) 6.054 11.908 ( -2.394 -0.431 0.454) 2.475 12.212 ( 5.088 -11.024 11.252) 16.554 12.400 ( 4.521 -4.937 0.254) 6.699 12.488 ( -2.593 -4.561 0.765) 5.302 12.603 ( 6.208 2.782 3.017) 7.442 12.762 ( 5.151 0.483 -5.056) 7.234 12.924 ( -0.645 0.969 -4.159) 4.319 13.403 ( -5.967 -2.913 3.856) 7.678 13.502 ( 3.970 -0.922 -3.813) 5.581 13.606 ( 1.821 -0.559 2.573) 3.201 13.768 ( -3.453 8.852 -1.912) 9.692 14.412 ( 10.324 -7.281 5.485) 13.772 14.564 ( -0.098 0.229 -2.208) 2.222 14.878 ( 0.917 8.561 5.617) 10.280 15.150 ( -1.430 5.653 -2.532) 6.357 15.326 ( 6.572 14.289 -2.086) 15.865 15.365 ( 5.400 17.836 -4.980) 19.289 15.664 ( 10.606 9.941 0.553) 14.547 16.163 ( -11.010 2.059 -6.735) 13.070 16.635 ( 1.788 -6.846 1.828) 7.308 16.752 ( 2.699 -0.108 -1.892) 3.298 16.983 ( 1.845 1.766 0.725) 2.655 17.079 ( 1.055 3.895 -1.843) 4.436 17.282 ( 3.122 3.849 3.154) 5.874 17.470 ( -5.326 1.420 2.802) 6.183 19.701 ( -0.768 3.794 -0.331) 3.885 19.975 ( -5.350 -1.139 -6.731) 8.674 20.831 ( -1.651 -6.722 2.339) 7.306 20.970 ( 0.257 -5.820 -2.778) 6.454 22.246 ( -1.679 4.801 3.596) 6.229 22.309 ( 4.012 8.004 -2.163) 9.211 23.220 ( -4.588 -5.144 3.494) 7.728 23.414 ( 2.369 -4.068 -4.286) 6.366 27.058 ( -0.084 10.203 0.600) 10.221 27.294 ( -0.267 30.380 -13.488) 33.241 29.211 ( 4.002 -14.859 3.685) 15.824 29.400 ( -2.840 -12.343 2.384) 12.888 30.695 ( 14.208 1.239 6.046) 15.490 30.859 ( 4.210 2.985 -2.140) 5.587 30.923 ( 10.570 5.398 0.625) 11.885 31.139 ( 3.599 13.139 4.295) 14.284 31.586 ( 1.466 1.700 -4.071) 4.649 31.655 ( -9.729 -0.111 0.515) 9.743 31.952 ( 5.686 -1.367 2.756) 6.465 32.004 ( -3.523 -6.189 3.235) 7.822 32.642 ( 0.992 7.335 5.285) 9.095 32.817 ( -1.338 9.019 2.195) 9.378 33.576 ( -2.594 -1.941 2.756) 4.253 33.915 ( 5.904 -3.597 -6.775) 9.680 35.370 ( -1.090 1.158 2.644) 3.085 35.420 ( 1.141 0.704 -0.594) 1.466 35.646 ( -3.233 2.826 6.241) 7.576 35.934 ( 1.114 -1.221 -3.504) 3.875 36.210 ( 0.741 8.289 -3.271) 8.942 36.367 ( -4.208 -1.753 -5.772) 7.355 38.132 ( 16.915 -7.522 -4.491) 19.049 38.360 ( -26.598 -23.058 4.503) 35.488 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 5.358 0.000 11.040) 12.272 1.841 ( 19.574 0.000 29.663) 35.539 2.254 ( 0.043 0.000 -11.583) 11.583 2.321 ( 13.196 0.000 -14.807) 19.834 2.793 ( 8.863 0.000 15.108) 17.516 2.931 ( 0.133 0.000 -7.783) 7.784 3.052 ( 1.150 0.000 9.245) 9.317 3.243 ( -5.302 -0.000 -8.474) 9.996 3.260 ( 2.077 0.000 3.549) 4.112 3.543 ( 6.569 0.000 -10.547) 12.426 3.757 ( -4.519 -0.000 -6.315) 7.765 3.853 ( -3.822 -0.000 -10.863) 11.516 4.039 ( -4.703 -0.000 1.992) 5.107 4.121 ( -4.646 -0.000 -3.397) 5.755 4.335 ( -2.402 -0.000 10.664) 10.931 4.635 ( -12.974 -0.000 -5.108) 13.944 4.639 ( 4.915 0.000 -4.753) 6.837 4.700 ( 8.271 0.000 19.292) 20.990 4.962 ( -5.903 -0.000 -5.016) 7.746 4.974 ( 2.299 0.000 2.243) 3.211 5.378 ( -4.921 -0.000 -5.199) 7.159 5.571 ( 7.504 0.000 -1.359) 7.626 5.846 ( -9.616 -0.000 5.810) 11.235 5.916 ( -0.502 -0.000 5.200) 5.224 6.214 ( -5.509 -0.000 1.792) 5.793 6.270 ( -12.686 -0.000 1.990) 12.842 6.484 ( -8.416 -0.000 -5.956) 10.310 6.652 ( -3.766 -0.000 2.677) 4.621 6.659 ( 15.038 0.000 -0.547) 15.048 6.825 ( 5.395 0.000 -0.146) 5.397 7.874 ( -3.765 -0.000 -1.234) 3.962 7.984 ( 5.571 0.000 3.457) 6.556 8.276 ( 0.330 0.000 -4.083) 4.096 8.309 ( 7.440 0.000 3.795) 8.352 9.121 ( -6.095 -0.000 0.624) 6.127 9.173 ( -5.629 -0.000 -6.177) 8.357 9.236 ( 4.594 0.000 2.407) 5.186 9.360 ( 1.925 0.000 -0.961) 2.152 9.493 ( -7.175 -0.000 0.431) 7.188 9.606 ( -1.486 -0.000 1.367) 2.019 9.740 ( 7.254 0.000 1.642) 7.437 9.869 ( 12.121 0.000 5.512) 13.315 10.047 ( -8.239 -0.000 -6.705) 10.622 10.231 ( 6.609 0.000 1.568) 6.793 10.647 ( -0.607 -0.000 5.481) 5.515 10.918 ( 8.336 0.000 -2.809) 8.796 11.159 ( -5.506 -0.000 6.085) 8.206 11.172 ( -4.354 -0.000 -4.052) 5.948 11.394 ( 3.503 0.000 0.135) 3.505 11.608 ( 11.654 0.000 -0.016) 11.654 11.805 ( 3.263 0.000 5.344) 6.261 11.809 ( -2.893 -0.000 -2.948) 4.130 12.485 ( -5.624 -0.000 0.672) 5.664 12.518 ( -2.006 -0.000 -0.303) 2.029 12.597 ( 2.520 0.000 -2.220) 3.358 12.601 ( -0.792 -0.000 -2.314) 2.446 12.822 ( 3.868 0.000 -3.043) 4.922 12.838 ( -0.656 -0.000 -5.404) 5.444 13.386 ( -4.507 -0.000 2.845) 5.329 13.465 ( -0.171 -0.000 0.709) 0.730 13.583 ( -3.809 -0.000 -0.416) 3.831 13.690 ( 2.855 0.000 0.682) 2.936 14.474 ( 0.936 0.000 -0.009) 0.936 14.494 ( -0.503 -0.000 -3.239) 3.278 14.905 ( -10.323 -0.000 -2.000) 10.515 15.029 ( -0.325 -0.000 0.088) 0.337 15.172 ( -8.983 -0.000 -0.509) 8.998 15.266 ( 0.091 0.000 -2.893) 2.894 15.650 ( -5.380 -0.000 -4.821) 7.224 16.114 ( 19.802 0.000 1.717) 19.877 16.748 ( -2.114 -0.000 0.123) 2.118 16.779 ( -0.798 -0.000 -0.673) 1.044 16.966 ( -3.473 -0.000 2.125) 4.071 17.031 ( -1.594 -0.000 -1.634) 2.282 17.292 ( -6.343 -0.000 -1.267) 6.468 17.456 ( 6.607 0.000 4.501) 7.995 19.773 ( 0.804 0.000 -6.371) 6.421 19.828 ( 10.146 0.000 4.211) 10.985 20.923 ( 0.349 0.000 2.142) 2.170 20.971 ( 0.099 0.000 -1.676) 1.679 22.100 ( -6.898 -0.000 2.141) 7.222 22.296 ( 3.347 0.000 -1.515) 3.674 23.291 ( -1.293 -0.000 3.513) 3.744 23.438 ( 2.558 0.000 -3.279) 4.159 26.964 ( 0.041 0.000 0.130) 0.136 26.967 ( 0.008 0.000 -0.157) 0.157 29.459 ( -2.531 -0.000 -1.955) 3.198 29.542 ( 5.850 0.000 2.900) 6.529 30.643 ( -17.752 -0.000 1.960) 17.860 30.750 ( -4.769 -0.000 -0.387) 4.785 30.765 ( -3.126 -0.000 -2.537) 4.025 31.252 ( 1.860 0.000 -7.719) 7.940 31.427 ( -4.830 -0.000 0.500) 4.856 31.978 ( 6.593 0.000 -2.862) 7.188 32.085 ( 3.447 0.000 1.603) 3.802 32.253 ( 23.326 0.000 -7.235) 24.423 32.741 ( -0.003 -0.000 -1.536) 1.536 32.871 ( 26.411 0.000 -4.964) 26.873 33.577 ( -5.178 -0.000 6.396) 8.229 33.921 ( 4.919 0.000 -10.620) 11.704 35.360 ( -2.330 -0.000 1.685) 2.876 35.443 ( 1.369 0.000 -0.516) 1.464 35.664 ( -2.945 -0.000 7.366) 7.933 35.891 ( 1.708 0.000 -6.646) 6.862 36.132 ( -0.532 -0.000 4.821) 4.850 36.210 ( -1.658 -0.000 -4.281) 4.591 37.736 ( -40.730 -0.000 10.451) 42.050 38.658 ( 17.581 0.000 3.079) 17.848 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 6.429 -7.855 -5.381) 11.489 2.003 ( 10.272 12.748 19.720) 25.630 2.229 ( 10.461 1.008 -0.216) 10.511 2.456 ( 11.833 -11.418 -13.256) 21.121 2.729 ( -2.154 1.430 -2.563) 3.641 2.922 ( 4.272 -1.475 -5.576) 7.178 3.203 ( 8.908 -2.058 11.523) 14.709 3.377 ( -2.764 -9.340 1.325) 9.830 3.440 ( 1.024 -8.378 -3.346) 9.079 3.543 ( 2.384 -2.434 -7.163) 7.932 3.651 ( -4.046 -4.041 -1.346) 5.875 3.757 ( -5.902 -1.952 -11.905) 13.430 3.983 ( -8.574 5.330 -2.306) 10.355 4.043 ( -3.087 -0.245 -0.588) 3.152 4.377 ( -0.563 -0.843 8.886) 8.943 4.502 ( -5.290 -0.074 -4.410) 6.888 4.688 ( -4.580 -5.661 -8.393) 11.111 4.813 ( 1.322 3.720 0.436) 3.972 4.933 ( 3.136 -0.227 18.561) 18.825 5.078 ( 5.443 -5.627 4.544) 9.052 5.293 ( -2.641 2.319 -3.285) 4.810 5.566 ( 4.509 3.929 -3.506) 6.932 5.812 ( -10.162 1.235 8.047) 13.021 5.940 ( -2.883 -1.432 0.117) 3.221 6.144 ( -2.422 -0.980 -5.377) 5.979 6.217 ( -11.770 -0.586 5.134) 12.854 6.337 ( -9.264 6.335 -3.561) 11.775 6.605 ( -0.147 4.677 1.185) 4.827 6.700 ( 10.406 3.967 -3.830) 11.777 6.822 ( 4.082 5.367 3.661) 7.672 7.836 ( -3.282 0.333 -2.441) 4.103 8.064 ( 6.818 -0.728 3.800) 7.839 8.242 ( 2.484 3.332 0.179) 4.160 8.364 ( 4.366 1.682 0.783) 4.744 8.980 ( -8.941 3.910 -2.363) 10.041 9.085 ( -2.425 3.385 -0.751) 4.231 9.263 ( 3.683 0.574 1.539) 4.032 9.366 ( -7.512 -2.975 -0.389) 8.089 9.495 ( 4.605 -0.189 -1.678) 4.905 9.619 ( -0.646 -0.054 2.188) 2.282 9.817 ( 8.277 -0.544 2.133) 8.565 9.938 ( -7.942 1.182 -7.977) 11.319 10.040 ( 10.577 -3.429 5.239) 12.291 10.298 ( 3.036 -2.375 -0.307) 3.866 10.648 ( 1.295 4.665 6.166) 7.840 10.910 ( 7.783 5.879 -2.986) 10.201 11.100 ( -2.547 1.610 3.224) 4.412 11.195 ( -4.137 -3.287 2.575) 5.878 11.410 ( 6.306 1.571 1.090) 6.590 11.644 ( 11.408 5.550 -0.006) 12.686 11.787 ( -3.175 -1.872 -3.555) 5.120 11.906 ( 4.428 -4.256 4.276) 7.484 12.313 ( -3.550 8.905 -0.012) 9.586 12.441 ( -8.348 5.259 -9.511) 13.704 12.490 ( -0.966 7.880 -1.642) 8.107 12.598 ( 4.285 2.319 2.432) 5.445 12.771 ( -4.723 -0.537 -7.195) 8.624 12.828 ( -0.812 0.712 -0.242) 1.107 13.318 ( -2.361 3.014 3.923) 5.481 13.514 ( -1.106 -1.738 0.063) 2.061 13.639 ( -0.296 -2.134 -1.464) 2.605 13.731 ( 1.394 -7.146 3.753) 8.191 14.440 ( -4.991 3.316 -4.200) 7.317 14.560 ( 2.283 -5.616 -2.147) 6.431 14.927 ( -9.866 -8.850 -4.815) 14.101 15.023 ( -1.210 -10.040 5.254) 11.396 15.247 ( -3.648 -7.700 -0.522) 8.536 15.259 ( -10.760 -7.363 -5.151) 14.018 15.720 ( 7.703 -7.289 -1.351) 10.690 16.255 ( 12.646 -0.020 0.849) 12.675 16.646 ( -4.186 6.269 -1.205) 7.634 16.687 ( -3.190 8.129 0.625) 8.755 16.961 ( -3.070 -2.565 -0.376) 4.018 17.051 ( -0.530 -3.795 -0.460) 3.859 17.308 ( -3.238 -5.216 -1.272) 6.270 17.534 ( 4.114 -0.972 3.314) 5.372 19.800 ( 3.991 -4.582 -4.682) 7.670 19.921 ( 9.606 1.269 3.989) 10.478 20.857 ( -0.807 7.499 2.792) 8.043 20.938 ( 1.579 4.054 -1.946) 4.766 22.134 ( -6.599 -7.854 2.364) 10.527 22.376 ( 2.443 -6.880 -2.018) 7.575 23.230 ( -2.173 6.950 4.365) 8.490 23.405 ( 3.151 4.068 -3.291) 6.108 27.093 ( -0.169 -13.670 1.392) 13.741 27.101 ( -0.462 -14.071 -1.285) 14.137 29.260 ( -2.982 16.301 -2.522) 16.762 29.513 ( 7.046 9.641 0.958) 11.980 30.627 ( -16.447 -12.185 -3.968) 20.849 30.746 ( -3.613 -3.277 2.202) 5.352 30.765 ( -3.280 -3.633 -0.753) 4.952 31.270 ( 1.161 -4.245 -3.391) 5.556 31.431 ( -1.394 -2.202 1.946) 3.252 31.917 ( 1.094 7.485 -1.543) 7.720 32.007 ( 4.055 9.657 -1.088) 10.531 32.441 ( 13.670 -6.709 -7.307) 16.890 32.806 ( 2.032 -7.648 -3.684) 8.729 33.041 ( 27.395 0.789 -10.110) 29.211 33.553 ( -6.002 2.276 7.204) 9.649 33.867 ( 4.347 3.224 -10.669) 11.963 35.364 ( -2.214 -1.605 1.176) 2.977 35.449 ( 0.867 -0.186 -0.599) 1.071 35.703 ( -3.641 -2.382 7.495) 8.666 35.891 ( 1.885 -1.827 -3.995) 4.780 36.186 ( -0.503 -0.405 -1.747) 1.863 36.206 ( 0.861 -4.990 3.559) 6.190 37.445 ( -34.188 6.124 13.968) 37.435 38.688 ( 13.311 11.568 1.143) 17.672 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 2.428 -2.610 8.299) 9.032 2.048 ( 7.693 -8.011 -8.065) 13.726 2.371 ( 11.589 -4.980 -0.217) 12.615 2.589 ( 13.436 1.285 -8.209) 15.797 2.809 ( -4.402 -9.821 0.951) 10.804 2.973 ( -1.079 -4.125 -9.476) 10.391 3.187 ( -2.494 5.091 -8.190) 9.960 3.408 ( -1.929 2.992 0.161) 3.563 3.481 ( 4.744 -2.068 5.422) 7.495 3.544 ( -0.557 -4.950 -0.811) 5.047 3.747 ( -2.021 -2.562 -5.804) 6.658 3.835 ( -0.200 -1.633 0.338) 1.680 3.863 ( -5.024 -2.071 -4.342) 6.956 4.112 ( 2.275 -12.119 3.417) 12.796 4.403 ( -2.026 4.840 0.226) 5.251 4.484 ( -5.879 -0.776 2.303) 6.361 4.609 ( -0.132 -1.152 -5.324) 5.448 4.925 ( 1.859 -8.807 2.115) 9.246 4.976 ( -0.231 0.480 3.253) 3.297 5.190 ( -3.193 2.509 -0.174) 4.064 5.354 ( 7.331 -5.882 14.487) 17.269 5.493 ( 3.330 4.075 -4.135) 6.692 5.739 ( -5.377 2.903 5.065) 7.936 5.907 ( -6.021 2.742 -0.031) 6.616 6.012 ( -7.461 7.250 -11.956) 15.848 6.139 ( -4.779 3.915 5.212) 8.082 6.254 ( -0.455 -5.035 0.518) 5.082 6.533 ( 1.954 3.519 -1.220) 4.206 6.661 ( 2.063 4.843 -3.547) 6.347 6.760 ( 1.392 4.364 4.677) 6.546 7.791 ( -3.012 -0.284 -2.877) 4.175 8.066 ( 0.747 5.784 -1.789) 6.100 8.195 ( 1.367 4.964 3.001) 5.960 8.400 ( 6.858 -2.707 2.359) 7.741 8.941 ( -2.898 -3.742 1.325) 4.915 9.000 ( 0.127 4.037 1.859) 4.446 9.293 ( -0.525 -1.423 1.129) 1.891 9.363 ( -3.256 -1.773 0.515) 3.743 9.507 ( 3.301 2.712 -0.330) 4.285 9.608 ( 0.043 2.109 1.356) 2.508 9.784 ( -6.348 2.707 -8.987) 11.331 9.915 ( 7.618 -1.578 0.204) 7.782 10.129 ( 3.673 2.323 0.815) 4.422 10.326 ( -2.769 -0.571 -1.559) 3.229 10.570 ( 0.775 7.098 4.635) 8.512 10.804 ( 5.911 9.130 -4.989) 11.966 11.097 ( -1.686 0.793 5.291) 5.610 11.266 ( -0.317 -4.775 3.664) 6.027 11.451 ( 5.701 0.419 1.088) 5.819 11.604 ( 10.739 7.289 -2.843) 13.286 11.772 ( -4.204 -1.507 -3.250) 5.523 12.041 ( 2.913 -2.852 -1.089) 4.220 12.151 ( -2.678 5.489 -1.236) 6.231 12.241 ( -4.747 0.837 -5.615) 7.400 12.384 ( 0.746 3.009 2.418) 3.931 12.524 ( 3.686 9.522 2.189) 10.442 12.727 ( -7.706 -1.040 -4.789) 9.133 12.826 ( -1.217 -2.463 2.133) 3.478 13.302 ( -1.065 -0.390 3.308) 3.497 13.528 ( 3.161 1.632 0.257) 3.567 13.582 ( -7.837 -0.546 -2.244) 8.170 13.964 ( 5.521 -6.549 4.836) 9.837 14.286 ( -8.344 0.329 -9.662) 12.771 14.604 ( 4.460 2.794 -0.270) 5.269 15.039 ( -4.634 -9.747 0.576) 10.808 15.197 ( -1.332 -4.251 2.407) 5.063 15.359 ( -6.163 -14.183 0.158) 15.465 15.415 ( -5.552 -12.588 -0.881) 13.786 15.907 ( 8.857 -4.988 -0.019) 10.165 16.332 ( 7.304 0.014 -0.015) 7.304 16.483 ( -6.771 5.846 -3.748) 9.699 16.549 ( -2.861 1.854 3.048) 4.573 16.999 ( -1.098 -3.728 -1.419) 4.138 17.140 ( 0.077 -5.632 0.713) 5.677 17.370 ( -0.062 -3.263 -0.565) 3.312 17.578 ( 0.946 -0.146 1.675) 1.929 19.937 ( 5.729 -8.407 -3.194) 10.663 19.981 ( 6.680 0.096 2.103) 7.003 20.698 ( -2.141 10.497 3.073) 11.145 20.831 ( 1.842 7.580 -2.667) 8.244 22.285 ( -5.532 -12.277 2.537) 13.702 22.528 ( 1.780 -9.373 -3.092) 10.029 23.085 ( -3.472 9.360 5.109) 11.215 23.309 ( 3.224 7.354 -3.117) 8.614 27.377 ( -0.723 -19.164 -3.379) 19.473 27.457 ( -1.122 -22.824 6.662) 23.803 28.883 ( -1.942 21.373 -1.583) 21.520 29.340 ( 8.022 15.059 -2.448) 17.238 30.725 ( -6.521 -10.387 -2.973) 12.620 30.811 ( -4.423 -6.109 0.733) 7.578 30.866 ( -4.850 -11.002 0.879) 12.056 31.338 ( -0.131 -3.206 -1.413) 3.506 31.509 ( 1.381 -3.566 5.325) 6.556 31.762 ( -1.033 7.902 -0.721) 8.001 31.816 ( 1.274 12.144 -3.717) 12.764 32.584 ( 11.716 -3.350 -10.652) 16.185 32.965 ( 6.118 -8.287 -5.622) 11.735 33.151 ( 15.299 -0.892 -5.879) 16.414 33.480 ( -6.632 4.750 6.607) 10.497 33.760 ( 2.551 5.463 -8.533) 10.448 35.392 ( -1.400 -2.254 0.910) 2.805 35.463 ( 0.247 -1.239 -0.421) 1.332 35.766 ( -4.668 -3.273 7.262) 9.232 35.920 ( 1.527 -0.885 -0.452) 1.822 36.202 ( -0.711 -1.786 2.039) 2.802 36.348 ( 3.172 -7.510 -0.014) 8.153 37.198 ( -24.193 3.986 13.962) 28.216 38.483 ( 9.192 18.980 -4.443) 21.552 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.216 3.817 -6.324) 8.057 2.225 ( 3.964 -14.530 -1.218) 15.110 2.486 ( 6.702 -0.631 -1.678) 6.938 2.677 ( 4.516 -0.348 5.912) 7.448 2.802 ( -1.102 1.087 0.953) 1.818 2.913 ( -0.521 3.361 -4.827) 5.905 3.154 ( -3.485 -9.660 -10.095) 14.401 3.334 ( -4.176 0.562 -5.066) 6.590 3.566 ( 5.038 -0.758 -2.496) 5.673 3.686 ( -1.863 -2.606 -1.667) 3.611 3.727 ( -2.205 -2.710 5.055) 6.145 3.799 ( 3.344 -0.839 2.043) 4.008 4.017 ( 3.833 -7.233 3.056) 8.738 4.200 ( -5.457 6.136 -9.299) 12.405 4.236 ( 2.634 5.919 2.245) 6.857 4.425 ( -4.004 -1.245 -0.776) 4.264 4.735 ( 1.534 -7.633 0.212) 7.788 4.916 ( -1.771 3.791 -1.772) 4.544 5.075 ( -2.459 0.197 -1.909) 3.119 5.145 ( 1.097 -3.532 5.403) 6.547 5.455 ( 6.044 1.471 2.423) 6.676 5.504 ( -1.177 0.197 -0.676) 1.372 5.640 ( -0.212 7.116 3.156) 7.787 5.804 ( -5.386 -1.126 3.450) 6.494 5.927 ( 1.276 -1.678 -2.669) 3.401 6.081 ( -1.518 1.741 2.228) 3.209 6.369 ( 4.409 -5.610 -4.128) 8.243 6.490 ( -2.877 0.991 -1.684) 3.478 6.541 ( -3.973 5.435 4.098) 7.881 6.754 ( -0.077 -0.408 0.838) 0.935 7.783 ( -1.468 -2.159 -1.553) 3.038 7.933 ( -2.923 5.110 -1.840) 6.168 8.146 ( 2.226 3.158 3.727) 5.368 8.513 ( 6.150 -0.941 0.364) 6.233 8.981 ( 1.588 -0.482 3.464) 3.842 9.029 ( -2.456 -4.884 0.699) 5.511 9.309 ( -0.736 -0.445 0.016) 0.860 9.379 ( 0.573 1.680 1.389) 2.254 9.454 ( -0.199 2.788 1.243) 3.059 9.517 ( -1.192 5.319 -2.134) 5.854 9.749 ( 0.353 -5.736 -2.785) 6.386 9.968 ( 0.441 0.219 -3.356) 3.392 10.039 ( 2.182 8.098 -0.266) 8.391 10.281 ( -8.361 -2.291 -2.083) 8.916 10.493 ( 3.100 6.064 3.275) 7.557 10.642 ( 4.487 9.002 -5.461) 11.445 11.090 ( -3.157 0.894 5.240) 6.183 11.374 ( 0.234 -4.023 3.395) 5.269 11.475 ( 3.682 1.906 0.979) 4.260 11.531 ( 6.783 5.398 -5.002) 10.008 11.717 ( -2.650 3.307 -3.381) 5.421 11.943 ( -4.911 2.308 -6.085) 8.153 12.115 ( -0.395 -3.177 -0.308) 3.216 12.338 ( 2.011 3.694 3.738) 5.626 12.407 ( 3.410 -4.368 2.162) 5.948 12.430 ( 2.379 -2.176 0.577) 3.275 12.662 ( -5.524 -1.005 -2.149) 6.012 12.835 ( 0.054 4.273 0.558) 4.309 13.363 ( 2.655 -1.586 6.216) 6.943 13.472 ( -5.098 -1.728 -3.332) 6.331 13.600 ( -1.506 -3.551 0.639) 3.910 13.941 ( 0.138 8.980 -0.466) 8.993 14.295 ( 0.836 -4.175 -6.868) 8.081 14.593 ( 1.785 0.109 3.418) 3.857 15.132 ( -3.096 -6.637 -2.402) 7.708 15.310 ( -3.073 -3.639 5.180) 7.037 15.443 ( 0.297 -1.349 -0.098) 1.385 15.590 ( -3.711 -9.616 -0.058) 10.308 16.024 ( 8.141 -0.532 2.540) 8.544 16.293 ( -7.153 6.902 -3.525) 10.546 16.361 ( 0.093 -0.679 1.005) 1.216 16.651 ( 1.669 -9.614 -0.436) 9.768 17.049 ( 0.719 -2.615 -1.220) 2.974 17.239 ( -1.166 -5.127 0.681) 5.302 17.404 ( 2.015 0.730 0.759) 2.274 17.583 ( -1.313 -0.198 0.800) 1.550 20.049 ( 4.145 -2.849 0.812) 5.095 20.136 ( 5.197 -9.059 -2.781) 10.808 20.502 ( -2.778 10.205 2.732) 10.923 20.683 ( 1.009 7.988 -3.102) 8.628 22.493 ( -4.112 -13.020 2.428) 13.868 22.688 ( 2.230 -8.042 -3.076) 8.894 22.923 ( -3.792 7.531 4.417) 9.519 23.160 ( 2.320 9.667 -2.857) 10.344 27.720 ( 0.932 -20.802 -1.975) 20.916 27.909 ( -3.903 -24.102 7.406) 25.515 28.473 ( -0.455 22.822 0.623) 22.835 29.093 ( 7.258 16.121 -7.310) 19.131 30.856 ( -2.787 -8.360 1.422) 8.926 30.910 ( -2.246 -6.875 2.194) 7.558 31.051 ( -2.000 -11.762 -1.828) 12.070 31.367 ( 2.507 -0.481 -0.477) 2.597 31.524 ( 1.037 7.534 0.509) 7.622 31.569 ( -0.754 11.145 -3.890) 11.828 31.711 ( -4.083 -3.168 6.301) 8.150 32.593 ( 12.241 4.528 -16.236) 20.832 33.099 ( 5.848 -4.329 -3.229) 7.960 33.284 ( 4.526 -6.672 -1.979) 8.301 33.365 ( -4.892 5.250 5.130) 8.821 33.625 ( 0.043 6.334 -4.828) 7.964 35.425 ( -0.836 -1.492 1.010) 1.987 35.487 ( -0.001 -1.247 -0.124) 1.253 35.816 ( -4.730 -1.696 6.621) 8.311 35.935 ( 0.245 0.099 0.807) 0.849 36.254 ( -3.001 -2.926 4.923) 6.465 36.480 ( 1.369 -3.740 1.209) 4.162 37.135 ( -10.018 -5.767 8.377) 14.276 38.156 ( 6.080 18.647 -8.701) 21.457 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 1.571 12.103 5.379) 13.337 2.312 ( -6.183 16.535 3.700) 18.037 2.356 ( 8.629 3.271 -4.365) 10.208 2.797 ( 3.000 0.908 7.379) 8.017 2.830 ( -6.597 -0.925 -4.570) 8.078 3.006 ( 11.562 -14.286 -1.213) 18.419 3.191 ( 0.059 1.359 -6.041) 6.193 3.322 ( -1.692 -4.430 -4.648) 6.640 3.477 ( -3.052 5.417 -4.375) 7.603 3.688 ( -5.076 -3.301 0.870) 6.117 3.746 ( -2.478 4.944 4.208) 6.949 3.907 ( -3.220 5.068 -4.055) 7.246 3.946 ( 6.465 -4.236 5.860) 9.700 4.053 ( -2.579 3.742 -2.477) 5.176 4.328 ( 9.255 -3.473 1.168) 9.954 4.434 ( 1.579 0.306 1.612) 2.278 4.794 ( -4.330 -2.424 -4.055) 6.409 4.913 ( -1.703 -5.426 2.525) 6.222 5.003 ( -2.493 1.782 -4.728) 5.635 5.238 ( 3.023 -2.445 -2.097) 4.417 5.432 ( -1.991 1.274 -3.650) 4.349 5.549 ( 8.427 -2.673 3.167) 9.391 5.612 ( 1.479 -0.334 2.599) 3.009 5.811 ( -3.222 -0.612 4.138) 5.280 5.952 ( 2.237 0.982 -0.263) 2.457 6.113 ( 1.876 -3.573 1.287) 4.236 6.324 ( -4.182 4.415 -5.365) 8.110 6.474 ( -7.528 2.400 5.540) 9.650 6.524 ( 4.602 -2.614 0.082) 5.293 6.768 ( -2.499 -2.326 -1.476) 3.719 7.816 ( -1.261 -2.674 0.313) 2.973 7.845 ( -0.420 2.555 0.372) 2.616 8.171 ( 4.196 -0.316 3.876) 5.721 8.510 ( 1.068 3.167 -3.385) 4.757 9.033 ( -0.650 -1.333 2.716) 3.095 9.054 ( -2.637 -1.102 -2.368) 3.712 9.262 ( -3.423 1.965 -3.419) 5.221 9.343 ( 0.402 1.156 3.661) 3.860 9.442 ( 0.013 0.205 3.959) 3.964 9.490 ( 1.658 -1.778 -3.593) 4.338 9.806 ( -3.206 8.624 -3.044) 9.691 9.887 ( -0.158 -6.757 0.180) 6.761 10.021 ( 4.705 -1.921 -1.231) 5.229 10.275 ( -5.790 -2.264 1.033) 6.303 10.429 ( -0.395 1.961 1.371) 2.425 10.542 ( 6.716 4.768 -1.607) 8.392 11.087 ( -4.187 -0.518 5.628) 7.034 11.388 ( 1.397 3.777 -2.490) 4.734 11.457 ( -1.990 3.457 0.089) 3.990 11.506 ( 1.206 -3.147 2.853) 4.416 11.602 ( -0.568 4.283 -4.609) 6.317 11.914 ( 1.486 -1.380 0.754) 2.163 12.218 ( -0.065 -6.997 -0.018) 6.998 12.249 ( 2.794 6.218 1.544) 6.990 12.427 ( 0.914 -1.330 -2.366) 2.864 12.593 ( -0.319 0.125 -1.104) 1.156 12.672 ( -2.412 3.673 -1.078) 4.524 12.713 ( -1.124 -6.629 -0.920) 6.786 13.385 ( -1.845 1.314 3.919) 4.526 13.515 ( -0.638 -3.161 -3.000) 4.404 13.705 ( 5.221 -2.680 4.435) 7.356 13.799 ( 0.342 1.794 -0.251) 1.843 14.259 ( 1.581 5.811 0.881) 6.086 14.635 ( -0.596 -0.954 -0.521) 1.240 15.241 ( 2.110 -3.973 -1.879) 4.875 15.267 ( -3.003 1.576 2.765) 4.376 15.519 ( 0.642 -3.445 0.011) 3.505 15.671 ( -4.071 -4.176 -1.321) 5.979 16.043 ( 3.943 9.147 1.669) 10.100 16.197 ( 0.242 -5.869 0.940) 5.948 16.321 ( -4.659 6.039 3.962) 8.595 16.831 ( 2.927 -10.043 -8.645) 13.571 17.083 ( 2.824 -0.147 -0.701) 2.914 17.297 ( -2.635 -1.780 -0.178) 3.185 17.387 ( 2.577 2.885 2.039) 4.373 17.570 ( -2.845 0.824 0.753) 3.056 20.127 ( 3.086 -0.945 -1.984) 3.789 20.169 ( -1.600 7.428 -0.708) 7.631 20.462 ( 3.015 -6.996 -0.374) 7.627 20.553 ( -1.231 3.556 -1.421) 4.022 22.644 ( -2.498 1.530 3.656) 4.685 22.733 ( -1.293 -1.992 2.305) 3.310 22.924 ( 2.618 -4.618 -3.160) 6.178 23.002 ( -0.331 3.306 -1.533) 3.659 28.035 ( -0.958 19.637 0.569) 19.669 28.109 ( 3.877 -20.058 0.858) 20.447 28.354 ( -4.100 -19.613 6.119) 20.950 28.782 ( 2.619 16.724 -14.328) 22.178 30.953 ( -1.536 -1.172 4.118) 4.549 31.047 ( 1.394 -6.162 2.715) 6.876 31.167 ( 1.235 -2.855 -3.260) 4.506 31.309 ( -1.416 10.540 -2.224) 10.865 31.446 ( 5.472 -2.577 2.026) 6.379 31.464 ( 2.610 -0.558 -0.847) 2.800 31.766 ( -8.031 -1.994 8.424) 11.809 32.445 ( 8.741 9.768 -17.005) 21.471 33.126 ( -0.121 6.233 2.167) 6.600 33.252 ( -2.628 0.173 -0.434) 2.669 33.460 ( 3.692 -0.013 -0.013) 3.692 33.525 ( -0.219 -4.413 -2.096) 4.891 35.439 ( -0.711 0.057 1.374) 1.548 35.497 ( 0.068 0.361 0.134) 0.391 35.823 ( -4.184 1.300 6.915) 8.186 35.930 ( -1.483 0.068 -0.165) 1.493 36.294 ( -4.843 -1.756 3.949) 6.491 36.522 ( -1.309 -0.294 3.801) 4.031 37.328 ( 1.698 -14.280 2.517) 14.599 37.867 ( 2.844 10.886 -8.151) 13.893 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 3.475 14.764 17.050) 22.821 1.985 ( -4.228 19.014 9.714) 21.766 2.274 ( 5.480 6.860 -7.511) 11.554 2.657 ( -5.598 6.396 -11.753) 14.504 2.775 ( -2.474 6.528 11.453) 13.413 3.014 ( 2.690 14.566 -0.175) 14.813 3.243 ( 7.303 1.053 -0.470) 7.393 3.423 ( 4.479 -4.832 -0.467) 6.605 3.469 ( -1.358 -8.266 2.100) 8.636 3.528 ( -0.334 8.272 5.404) 9.886 3.823 ( 0.342 -5.110 3.130) 6.002 3.876 ( 1.301 -2.911 -6.022) 6.814 3.930 ( -0.567 4.482 -1.520) 4.766 4.129 ( 3.087 -4.511 3.261) 6.365 4.386 ( -0.101 2.706 0.189) 2.714 4.475 ( 1.349 -5.057 -0.402) 5.249 4.741 ( -8.923 -2.238 -9.003) 12.872 4.938 ( -1.140 1.700 -2.171) 2.984 5.032 ( 0.802 -2.737 1.946) 3.452 5.261 ( 0.809 -0.140 -1.848) 2.022 5.393 ( -0.084 -1.705 -8.851) 9.014 5.608 ( 0.273 2.740 -4.883) 5.606 5.714 ( 5.343 -6.034 3.764) 8.895 5.852 ( 0.106 -2.382 8.643) 8.966 5.977 ( 4.770 -1.143 4.692) 6.788 6.152 ( -5.649 -1.524 -0.018) 5.851 6.255 ( 1.064 -1.669 -5.693) 6.027 6.392 ( -4.716 2.170 4.462) 6.845 6.582 ( 3.950 -0.287 1.138) 4.120 6.773 ( -4.417 -2.516 -3.105) 5.956 7.834 ( 4.892 1.458 3.306) 6.082 7.871 ( -2.791 -4.586 0.697) 5.414 8.234 ( 2.162 -1.090 2.585) 3.541 8.392 ( -2.057 5.974 -5.441) 8.338 9.001 ( -4.820 -0.752 -3.551) 6.034 9.057 ( 0.401 0.301 -0.738) 0.892 9.220 ( -4.417 -1.416 0.483) 4.663 9.358 ( 0.947 0.511 -0.025) 1.077 9.495 ( 2.099 -2.363 2.544) 4.057 9.546 ( 1.018 -5.792 -0.187) 5.883 9.668 ( -0.477 2.963 0.042) 3.001 9.895 ( -2.334 2.571 -1.136) 3.653 10.124 ( 5.505 -1.012 1.513) 5.798 10.307 ( -4.118 -4.170 5.545) 8.068 10.439 ( 0.079 -0.115 1.497) 1.504 10.556 ( 3.706 -3.761 -1.778) 5.572 11.105 ( -4.476 -2.154 4.134) 6.462 11.298 ( -4.503 2.295 -3.813) 6.331 11.386 ( -1.725 2.168 0.037) 2.771 11.522 ( 1.542 2.032 -4.362) 5.053 11.627 ( 3.320 -4.325 7.911) 9.608 11.963 ( 2.145 0.907 4.055) 4.676 12.196 ( 3.150 2.828 -0.598) 4.275 12.317 ( -1.568 -3.780 0.087) 4.093 12.371 ( -1.927 8.887 -2.052) 9.322 12.482 ( 1.066 -5.207 -6.295) 8.239 12.712 ( 0.193 -4.521 0.900) 4.613 12.865 ( -0.705 -7.671 -1.979) 7.953 13.350 ( -4.674 1.682 3.410) 6.025 13.506 ( 1.354 0.870 -5.816) 6.035 13.691 ( 5.782 4.770 6.149) 9.695 13.971 ( 2.129 -6.392 1.123) 6.830 14.187 ( 3.624 3.117 7.553) 8.938 14.601 ( -0.865 1.772 -3.688) 4.182 15.152 ( 1.265 7.077 4.186) 8.319 15.404 ( -3.413 -6.015 -3.137) 7.594 15.453 ( -0.990 4.541 -3.067) 5.568 15.714 ( 1.071 0.589 -1.707) 2.100 15.959 ( 4.694 3.480 3.393) 6.757 16.143 ( -6.946 7.961 2.772) 10.923 16.366 ( 2.531 -7.847 3.146) 8.825 16.903 ( 0.574 -2.788 -14.812) 15.083 17.084 ( 4.425 3.345 -0.745) 5.597 17.240 ( -2.754 3.608 -1.693) 4.844 17.394 ( 3.450 1.649 2.844) 4.765 17.518 ( -4.397 1.848 1.774) 5.089 19.960 ( -2.643 10.167 -0.170) 10.506 20.094 ( 3.397 5.852 -6.989) 9.728 20.556 ( -2.659 -5.819 2.884) 7.017 20.656 ( 2.709 -10.174 -2.005) 10.718 22.524 ( -1.687 9.255 6.357) 11.354 22.683 ( 2.875 9.652 -2.942) 10.492 22.971 ( -4.217 -7.237 2.554) 8.757 23.132 ( 2.101 -10.457 -4.259) 11.485 27.659 ( 0.458 21.369 2.634) 21.536 28.313 ( -2.126 21.852 -22.042) 31.111 28.534 ( 7.437 -20.515 3.201) 22.055 28.738 ( -6.763 -21.134 3.247) 22.426 30.911 ( 1.671 6.870 3.748) 8.002 31.052 ( 0.726 6.269 -1.954) 6.606 31.154 ( 2.973 5.519 2.103) 6.613 31.286 ( 5.128 -5.421 3.521) 8.251 31.480 ( -1.616 -5.030 -1.277) 5.435 31.627 ( 5.712 -3.334 0.422) 6.628 31.755 ( -5.814 -1.133 7.080) 9.231 32.226 ( 5.687 10.317 -13.019) 17.557 32.978 ( -0.983 9.701 3.819) 10.472 33.170 ( -0.772 7.771 -2.104) 8.088 33.462 ( -2.718 -2.829 3.647) 5.357 33.687 ( 4.682 -8.665 -4.287) 10.742 35.429 ( -0.576 1.429 1.909) 2.454 35.477 ( 0.209 1.841 0.082) 1.855 35.786 ( -4.478 3.550 7.709) 9.596 35.913 ( -1.490 -0.055 -0.985) 1.787 36.293 ( -4.226 -1.269 -0.170) 4.415 36.502 ( 0.530 4.294 -0.503) 4.356 37.617 ( -7.293 -14.303 6.217) 17.216 37.794 ( 8.232 -5.653 -6.005) 11.653 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.418 16.769 15.746) 23.881 1.719 ( -5.734 12.084 18.043) 22.460 2.179 ( 4.002 0.054 -11.569) 12.242 2.470 ( 4.488 6.405 -6.995) 10.492 2.709 ( 2.314 10.273 15.039) 18.360 2.841 ( -0.108 4.387 9.709) 10.655 3.157 ( 4.023 19.283 7.815) 21.192 3.372 ( 2.359 -0.230 0.878) 2.528 3.562 ( 0.068 -7.172 -7.970) 10.722 3.706 ( 4.718 -7.380 0.168) 8.761 3.831 ( 0.406 3.935 -2.692) 4.785 3.892 ( 2.018 -0.637 3.909) 4.445 3.980 ( 4.633 -5.765 -4.044) 8.430 4.120 ( -4.177 7.583 -4.738) 9.869 4.302 ( -1.523 1.463 0.056) 2.113 4.556 ( -0.313 -1.516 5.305) 5.526 4.701 ( -6.195 -2.508 -6.358) 9.224 4.877 ( -0.148 2.364 -2.395) 3.368 4.972 ( -2.632 4.918 -0.690) 5.621 5.256 ( -3.447 1.596 -4.980) 6.264 5.372 ( -3.269 -0.232 -6.260) 7.066 5.467 ( 1.558 1.214 -8.833) 9.051 5.867 ( 1.718 -0.294 12.006) 12.132 5.995 ( 2.144 -3.738 5.771) 7.203 6.083 ( -0.683 -5.610 2.822) 6.317 6.140 ( -6.095 -3.413 3.485) 7.807 6.293 ( 1.560 -6.168 -1.979) 6.662 6.472 ( 5.995 -8.442 -1.670) 10.488 6.623 ( 3.087 -0.360 1.319) 3.376 6.748 ( -6.440 -1.020 -2.783) 7.090 7.884 ( 6.513 0.707 3.504) 7.429 7.934 ( -4.651 -4.419 -0.451) 6.432 8.213 ( -5.758 1.687 -0.481) 6.019 8.307 ( 4.697 1.077 -2.321) 5.348 8.985 ( -2.676 -3.160 -0.856) 4.228 9.080 ( 0.313 -4.054 -2.600) 4.826 9.216 ( -3.975 -0.813 1.170) 4.223 9.325 ( 2.846 3.798 -0.640) 4.789 9.565 ( 0.849 -1.406 4.296) 4.600 9.636 ( -0.976 -4.870 -2.829) 5.716 9.734 ( -0.600 -5.028 3.024) 5.898 9.810 ( 4.406 5.215 -0.534) 6.848 10.150 ( 4.324 2.891 3.787) 6.434 10.289 ( -4.008 4.846 1.378) 6.438 10.503 ( -3.042 -6.126 4.077) 7.963 10.682 ( 2.655 -7.726 -2.630) 8.582 11.160 ( -3.529 -5.879 1.888) 7.111 11.211 ( -5.616 0.540 -1.992) 5.983 11.336 ( -2.134 2.236 -0.890) 3.216 11.494 ( 3.993 0.425 -5.219) 6.585 11.765 ( 5.337 -0.235 7.577) 9.271 11.924 ( -1.987 3.642 1.290) 4.345 12.171 ( 0.643 -0.753 4.963) 5.061 12.346 ( 3.636 -4.900 -0.550) 6.127 12.390 ( -0.278 -5.433 0.106) 5.441 12.560 ( 0.108 -5.815 -5.675) 8.126 12.788 ( 2.141 -1.432 1.168) 2.828 12.923 ( -0.832 -1.152 -3.514) 3.790 13.321 ( -5.758 -1.460 3.384) 6.836 13.488 ( 3.076 -0.934 -4.708) 5.700 13.694 ( 5.036 4.801 7.300) 10.085 13.893 ( -4.683 8.422 -1.004) 9.689 14.379 ( 8.786 -8.534 5.726) 13.521 14.550 ( -1.521 0.300 -3.597) 3.916 15.060 ( 0.360 7.768 5.241) 9.378 15.234 ( -3.323 7.583 -3.902) 9.153 15.477 ( -3.287 2.344 -1.270) 4.232 15.608 ( 6.012 11.392 -2.180) 13.065 15.881 ( 0.865 7.278 2.844) 7.862 16.096 ( -2.379 -1.737 -4.438) 5.327 16.527 ( 0.743 -7.130 2.488) 7.588 16.783 ( 0.177 4.645 -12.448) 13.288 17.032 ( 0.054 3.216 0.968) 3.359 17.143 ( 0.656 4.401 -3.479) 5.649 17.395 ( 3.414 2.908 3.958) 5.981 17.475 ( -3.780 1.439 1.635) 4.363 19.796 ( 0.708 6.641 0.268) 6.684 19.957 ( 1.081 5.598 -7.516) 9.434 20.692 ( -2.289 -8.554 3.435) 9.498 20.830 ( 1.746 -8.590 -2.613) 9.147 22.377 ( -3.036 8.912 4.575) 10.468 22.500 ( 3.421 10.902 -2.470) 11.690 23.085 ( -5.225 -7.549 3.862) 9.960 23.295 ( 2.641 -8.191 -4.568) 9.744 27.325 ( 0.601 18.111 2.853) 18.344 27.708 ( -4.872 27.608 -18.736) 33.719 28.976 ( 8.552 -18.984 4.339) 21.269 29.076 ( -5.004 -20.157 0.581) 20.777 30.827 ( 1.099 5.308 2.420) 5.936 30.928 ( 0.096 5.533 -2.602) 6.116 31.090 ( 0.179 7.105 5.682) 9.100 31.370 ( 2.038 4.397 1.189) 4.990 31.546 ( -3.872 -4.023 -2.554) 6.140 31.630 ( 7.629 -2.015 -2.543) 8.290 31.884 ( 1.723 -5.673 4.088) 7.202 32.080 ( 13.697 5.849 -6.282) 16.164 32.835 ( 1.901 8.969 4.754) 10.327 32.987 ( -0.697 10.105 -0.983) 10.176 33.522 ( -3.659 -3.418 4.110) 6.478 33.828 ( 4.612 -6.353 -6.492) 10.187 35.405 ( -0.856 1.871 2.340) 3.116 35.447 ( 0.707 1.604 -0.127) 1.758 35.723 ( -4.347 4.212 7.699) 9.794 35.906 ( -0.257 -0.641 -1.247) 1.425 36.277 ( -3.586 -1.312 -3.406) 5.117 36.366 ( 2.171 9.406 -5.098) 10.917 37.791 ( -26.749 -17.126 10.811) 33.551 38.081 ( 17.661 -13.137 -4.001) 22.372 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 5.389 0.000 -19.195) 19.937 2.319 ( 10.241 0.000 -18.667) 21.291 2.347 ( 3.277 0.000 13.459) 13.852 2.469 ( 20.221 0.000 23.683) 31.141 2.740 ( -5.480 -0.000 -16.771) 17.644 2.848 ( -2.804 -0.000 -2.620) 3.837 3.136 ( 1.304 0.000 -5.651) 5.799 3.297 ( 2.225 0.000 2.740) 3.530 3.430 ( 16.490 0.000 13.638) 21.399 3.498 ( 7.555 0.000 -15.727) 17.447 3.585 ( -9.927 -0.000 -7.006) 12.151 3.670 ( -1.303 -0.000 1.726) 2.162 3.943 ( -12.263 -0.000 -1.954) 12.418 3.996 ( -5.222 -0.000 -3.261) 6.157 4.411 ( -2.177 -0.000 10.139) 10.370 4.438 ( -5.249 -0.000 1.059) 5.355 4.532 ( -3.033 -0.000 -12.025) 12.402 4.869 ( -0.625 -0.000 -0.749) 0.975 5.035 ( -0.700 -0.000 1.602) 1.749 5.108 ( 5.037 0.000 10.578) 11.716 5.309 ( 4.992 0.000 10.039) 11.211 5.591 ( -0.888 -0.000 -4.764) 4.846 5.827 ( -4.502 -0.000 8.755) 9.845 5.891 ( -4.824 -0.000 -3.163) 5.768 6.064 ( -7.148 -0.000 -10.694) 12.863 6.079 ( -13.182 -0.000 1.855) 13.312 6.347 ( -4.725 -0.000 1.044) 4.839 6.613 ( -2.847 -0.000 -0.862) 2.975 6.866 ( 9.563 0.000 0.382) 9.571 6.895 ( 2.331 0.000 1.049) 2.556 7.819 ( 0.491 0.000 -2.198) 2.252 8.131 ( 6.955 0.000 5.087) 8.617 8.312 ( 4.912 0.000 2.475) 5.501 8.420 ( 0.280 0.000 1.185) 1.218 8.932 ( -12.723 -0.000 -4.592) 13.526 9.031 ( -4.738 -0.000 0.045) 4.738 9.295 ( -3.028 -0.000 0.303) 3.044 9.319 ( 4.161 0.000 0.115) 4.162 9.543 ( 5.086 0.000 -2.777) 5.795 9.576 ( -3.033 -0.000 -1.134) 3.238 9.864 ( -5.807 -0.000 -2.776) 6.437 9.903 ( 8.738 0.000 1.085) 8.805 10.137 ( 12.839 0.000 3.700) 13.362 10.287 ( 1.376 0.000 -0.307) 1.409 10.752 ( 1.858 0.000 7.788) 8.006 10.994 ( 5.544 0.000 -5.807) 8.028 11.111 ( 0.619 0.000 -0.444) 0.761 11.159 ( -4.838 -0.000 7.691) 9.086 11.459 ( 3.153 0.000 -0.354) 3.173 11.706 ( -1.933 -0.000 -4.092) 4.525 11.851 ( 11.698 0.000 5.626) 12.980 11.910 ( 3.957 0.000 4.445) 5.951 12.358 ( -10.548 -0.000 -4.494) 11.466 12.381 ( -7.063 -0.000 -4.244) 8.240 12.469 ( -9.572 -0.000 -5.323) 10.953 12.584 ( 5.210 0.000 -12.093) 13.167 12.835 ( -1.795 -0.000 2.944) 3.449 12.844 ( 9.850 0.000 0.720) 9.877 13.379 ( -0.694 -0.000 2.185) 2.292 13.504 ( -5.750 -0.000 0.699) 5.793 13.530 ( 4.485 0.000 2.409) 5.091 13.735 ( 2.027 0.000 0.948) 2.238 14.468 ( 0.562 0.000 -1.232) 1.354 14.480 ( -8.658 -0.000 -2.769) 9.090 14.537 ( -12.744 -0.000 -9.385) 15.826 15.023 ( -8.421 -0.000 2.678) 8.836 15.023 ( -0.138 -0.000 0.176) 0.223 15.235 ( 0.858 0.000 -3.626) 3.726 15.708 ( 10.253 0.000 -0.365) 10.260 16.357 ( 9.994 0.000 1.094) 10.053 16.685 ( -5.528 -0.000 -1.091) 5.634 16.734 ( -3.399 -0.000 -1.287) 3.634 16.928 ( -3.282 -0.000 1.076) 3.454 16.984 ( -1.406 -0.000 -1.214) 1.857 17.215 ( -2.060 -0.000 -0.656) 2.162 17.572 ( 2.868 0.000 2.281) 3.664 19.772 ( 5.191 0.000 -2.757) 5.878 20.043 ( 9.267 0.000 4.991) 10.526 20.954 ( 0.192 0.000 2.360) 2.368 20.968 ( 1.250 0.000 -0.811) 1.490 22.023 ( -6.315 -0.000 2.411) 6.760 22.314 ( 1.763 0.000 -2.659) 3.190 23.302 ( -2.221 -0.000 3.083) 3.800 23.447 ( 2.798 0.000 -2.933) 4.054 26.968 ( 0.175 0.000 0.007) 0.175 26.968 ( 0.146 0.000 0.254) 0.293 29.410 ( -0.034 -0.000 -1.715) 1.716 29.632 ( 3.921 0.000 -1.092) 4.070 30.354 ( -12.653 -0.000 -4.739) 13.512 30.692 ( -3.431 -0.000 -0.296) 3.444 30.718 ( -3.208 -0.000 3.153) 4.498 31.224 ( 2.592 0.000 -2.440) 3.560 31.416 ( -0.543 -0.000 3.385) 3.428 31.997 ( 1.235 0.000 -1.572) 1.999 32.148 ( 3.202 0.000 0.023) 3.202 32.386 ( 6.632 0.000 -7.070) 9.694 32.705 ( -0.012 -0.000 -4.327) 4.327 33.212 ( 32.693 0.000 -20.584) 38.633 33.570 ( -6.263 -0.000 7.949) 10.120 33.867 ( 4.966 0.000 -12.479) 13.431 35.337 ( -2.357 -0.000 1.288) 2.686 35.452 ( 1.179 0.000 -1.284) 1.743 35.692 ( -3.812 -0.000 6.269) 7.337 35.848 ( 2.142 0.000 -6.328) 6.681 36.179 ( 1.239 0.000 -0.471) 1.325 36.213 ( 0.244 0.000 10.137) 10.140 37.324 ( -32.389 -0.000 16.836) 36.503 38.890 ( 7.702 0.000 1.331) 7.816 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.965 -13.029 -15.721) 21.917 2.180 ( -1.897 10.038 0.075) 10.216 2.378 ( 8.148 1.940 -9.095) 12.364 2.565 ( 4.682 -3.281 2.898) 6.409 2.681 ( 0.231 -7.504 1.129) 7.592 2.952 ( 10.529 5.396 -7.913) 14.233 3.117 ( -3.592 -3.825 -4.950) 7.213 3.401 ( -5.380 -3.427 -1.414) 6.534 3.447 ( 4.959 0.232 -13.839) 14.703 3.527 ( 1.910 0.134 -5.892) 6.195 3.670 ( 0.408 -2.552 5.801) 6.350 3.739 ( 1.454 -9.232 3.947) 10.145 3.828 ( -0.664 -2.420 2.657) 3.655 3.964 ( 0.202 -1.331 3.030) 3.316 4.381 ( -4.865 0.919 -2.854) 5.715 4.478 ( -0.639 -2.605 4.693) 5.405 4.555 ( -2.728 -4.181 3.756) 6.247 4.858 ( 2.495 -1.027 2.877) 3.944 4.986 ( -4.260 2.098 -1.052) 4.864 5.145 ( -3.854 -1.631 -2.976) 5.135 5.490 ( 8.723 0.754 14.644) 17.062 5.531 ( 1.278 0.981 1.395) 2.131 5.780 ( -5.081 2.154 1.483) 5.715 5.864 ( -3.718 -1.202 -2.520) 4.650 5.950 ( -6.860 0.679 -9.178) 11.479 6.052 ( -10.403 -5.585 -0.315) 11.811 6.272 ( -3.484 4.391 0.910) 5.679 6.562 ( -3.251 1.803 -3.074) 4.824 6.817 ( 7.392 8.024 -1.668) 11.036 6.893 ( 1.135 5.220 2.589) 5.937 7.802 ( 2.392 2.321 0.119) 3.335 8.169 ( 0.847 5.255 -0.237) 5.328 8.329 ( 2.806 4.197 3.724) 6.274 8.408 ( 1.944 -2.102 1.768) 3.365 8.849 ( -5.917 -2.375 1.098) 6.470 9.042 ( -3.210 -2.146 0.898) 3.964 9.229 ( -4.193 2.528 0.269) 4.904 9.346 ( 2.551 -0.269 -1.402) 2.923 9.539 ( 3.435 -0.104 -4.121) 5.366 9.595 ( -3.450 -2.068 -2.675) 4.830 9.795 ( -2.087 2.726 -0.429) 3.460 9.953 ( 6.144 -0.257 -2.799) 6.757 10.221 ( 7.142 2.142 1.874) 7.688 10.312 ( 2.271 0.216 -0.634) 2.367 10.706 ( -4.751 6.679 3.612) 8.957 10.942 ( 3.524 5.423 -6.659) 9.282 11.133 ( -1.073 0.630 4.998) 5.151 11.196 ( -1.634 -4.456 3.477) 5.884 11.466 ( 1.127 -0.321 -2.025) 2.339 11.683 ( -3.036 -1.908 -4.598) 5.831 11.861 ( 13.096 8.381 2.789) 15.796 12.019 ( 0.222 -0.701 2.265) 2.381 12.148 ( -7.442 1.708 -7.689) 10.836 12.306 ( 3.197 8.238 -3.407) 9.471 12.427 ( -4.422 -2.392 -2.627) 5.673 12.561 ( -1.810 -2.549 -1.223) 3.357 12.773 ( 7.231 13.058 0.773) 14.946 12.830 ( -1.491 0.622 4.398) 4.686 13.332 ( -1.181 2.858 2.166) 3.775 13.487 ( -3.190 -1.550 2.025) 4.085 13.635 ( 1.712 1.492 -2.436) 3.330 13.833 ( 4.529 -11.768 3.591) 13.111 14.231 ( -9.474 4.799 -7.166) 12.812 14.567 ( 1.066 -6.875 -1.304) 7.078 14.756 ( -4.142 -19.863 -0.910) 20.311 15.047 ( -3.051 -10.276 4.228) 11.523 15.108 ( -4.399 -5.773 -0.956) 7.321 15.224 ( 1.006 -2.984 -0.975) 3.296 15.865 ( 10.928 -7.179 -1.175) 13.128 16.387 ( 3.569 2.710 -0.905) 4.572 16.545 ( -5.923 6.735 -1.205) 9.049 16.644 ( -3.496 7.116 0.679) 7.957 16.915 ( -0.549 -3.043 -0.774) 3.188 17.047 ( -0.110 -5.400 0.333) 5.411 17.273 ( -0.396 -6.138 -0.140) 6.153 17.592 ( 0.201 0.181 0.590) 0.649 19.849 ( 6.151 -4.726 -1.249) 7.857 20.093 ( 6.097 3.384 3.205) 7.674 20.873 ( -1.015 8.180 2.612) 8.646 20.947 ( 1.851 4.637 -1.408) 5.187 22.067 ( -5.748 -8.186 2.775) 10.380 22.371 ( 1.236 -6.688 -3.799) 7.790 23.234 ( -3.288 6.759 3.643) 8.352 23.415 ( 2.416 3.914 -3.329) 5.678 27.082 ( 0.589 -12.038 -0.609) 12.067 27.118 ( -0.991 -15.629 2.605) 15.876 29.227 ( 1.087 17.285 -0.102) 17.320 29.575 ( 2.835 8.201 -4.182) 9.633 30.413 ( -3.656 -14.199 -2.754) 14.918 30.704 ( -2.546 -3.427 1.634) 4.571 30.741 ( -3.162 -3.277 3.678) 5.854 31.274 ( 2.612 -3.376 -0.197) 4.272 31.469 ( -0.183 -3.688 4.651) 5.938 31.907 ( 0.245 8.316 -1.525) 8.458 32.036 ( 2.345 11.848 -2.760) 12.389 32.470 ( 3.108 -7.517 -7.691) 11.194 32.791 ( 1.999 -10.187 -4.421) 11.284 33.284 ( 25.980 3.655 -22.371) 34.479 33.541 ( -6.251 2.820 7.527) 10.183 33.805 ( 3.854 3.008 -11.290) 12.303 35.348 ( -1.552 -2.000 1.468) 2.926 35.451 ( 0.793 0.010 -1.207) 1.444 35.713 ( -4.794 -2.253 5.443) 7.595 35.872 ( 2.474 -3.827 -5.419) 7.081 36.202 ( 1.995 -0.498 2.526) 3.257 36.298 ( 1.536 -2.613 8.578) 9.098 37.166 ( -25.832 3.149 19.877) 32.746 38.804 ( 2.887 12.888 -3.993) 13.798 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 4.283 -9.088 -8.265) 13.009 2.180 ( 6.828 -4.099 7.495) 10.936 2.472 ( 5.917 -8.664 -4.935) 11.594 2.701 ( 4.717 -4.142 -2.346) 6.702 2.806 ( 2.710 -5.081 0.359) 5.770 2.819 ( -10.336 2.006 -7.882) 13.152 3.098 ( 11.148 4.076 -6.076) 13.334 3.300 ( -7.723 3.589 -7.713) 11.489 3.478 ( -5.249 -7.876 -0.743) 9.494 3.529 ( 5.550 -2.913 -10.761) 12.454 3.699 ( -1.372 -0.958 0.038) 1.673 3.731 ( -1.253 -4.084 -6.629) 7.886 4.050 ( 13.083 -1.241 9.891) 16.448 4.145 ( -1.614 -6.206 2.964) 7.064 4.284 ( -6.547 0.742 -4.505) 7.982 4.491 ( -3.801 6.435 8.093) 11.016 4.611 ( 1.415 -4.687 4.753) 6.823 4.893 ( -4.703 -0.597 -3.622) 5.966 5.047 ( 3.616 -6.788 3.770) 8.566 5.098 ( -5.293 0.806 1.849) 5.664 5.444 ( -1.749 -0.523 -4.969) 5.294 5.638 ( 4.363 4.223 6.986) 9.256 5.769 ( -4.169 -0.229 -1.143) 4.328 5.776 ( -0.074 4.668 1.311) 4.849 5.895 ( 1.836 -1.664 1.912) 3.130 6.070 ( -7.311 -3.670 -0.925) 8.232 6.222 ( -1.505 -3.537 -4.113) 5.629 6.483 ( -2.415 1.963 -3.816) 4.924 6.694 ( 2.956 9.682 0.419) 10.131 6.814 ( 0.642 4.798 3.843) 6.181 7.796 ( 3.535 1.570 3.179) 5.006 8.008 ( -2.763 7.257 -2.266) 8.089 8.265 ( 0.942 5.032 2.411) 5.659 8.517 ( 3.083 -3.373 0.273) 4.577 8.900 ( -2.615 -4.064 1.209) 4.982 9.044 ( 1.443 1.522 3.674) 4.231 9.211 ( -5.640 -4.409 -0.352) 7.167 9.364 ( 1.215 -1.378 -0.894) 2.043 9.532 ( -1.199 1.695 -3.366) 3.955 9.548 ( -0.836 0.499 -3.775) 3.899 9.746 ( 2.183 2.847 1.925) 4.072 9.974 ( 2.810 0.339 -5.827) 6.478 10.196 ( 3.500 5.925 1.347) 7.013 10.234 ( -3.892 5.877 -1.723) 7.256 10.588 ( -3.900 2.906 1.053) 4.976 10.791 ( 1.859 8.631 -7.241) 11.419 11.119 ( -3.053 1.563 4.474) 5.638 11.300 ( -0.439 -5.585 2.713) 6.224 11.483 ( 1.588 -1.582 -2.388) 3.275 11.659 ( -1.763 0.125 -4.966) 5.272 11.790 ( 11.270 10.462 -3.173) 15.701 11.882 ( -7.289 3.406 -7.707) 11.141 12.155 ( 1.138 5.170 -0.593) 5.327 12.240 ( 2.509 -8.203 3.683) 9.335 12.457 ( -0.661 0.040 3.193) 3.261 12.559 ( -1.474 1.268 -1.915) 2.729 12.605 ( 2.252 9.320 3.060) 10.065 12.859 ( 0.102 -1.045 2.592) 2.796 13.347 ( 1.576 -3.258 4.393) 5.692 13.482 ( -4.118 2.417 0.602) 4.812 13.575 ( 1.900 1.517 0.645) 2.515 13.997 ( -11.480 -1.248 -11.952) 16.619 14.176 ( 13.323 -5.308 7.162) 16.030 14.644 ( 2.080 -0.559 -1.849) 2.839 14.984 ( -3.263 -6.904 1.049) 7.708 15.172 ( -4.043 -9.122 3.525) 10.582 15.319 ( -3.062 -14.272 1.744) 14.701 15.381 ( 0.809 -10.618 1.252) 10.722 16.047 ( 9.082 -4.270 -1.404) 10.133 16.298 ( -5.691 4.051 -4.890) 8.527 16.447 ( 2.697 3.254 1.038) 4.352 16.519 ( -5.058 0.289 2.119) 5.492 16.995 ( 2.284 -4.506 0.161) 5.054 17.146 ( -0.466 -5.158 0.541) 5.207 17.382 ( 1.333 -4.893 0.453) 5.092 17.577 ( -1.907 0.540 -0.422) 2.027 20.006 ( 5.949 -7.865 -1.061) 9.918 20.085 ( 3.468 1.933 1.343) 4.192 20.698 ( -2.164 11.328 2.892) 11.890 20.826 ( 1.563 8.538 -2.866) 9.141 22.236 ( -4.881 -12.883 3.042) 14.109 22.508 ( 1.703 -9.820 -4.904) 11.108 23.078 ( -4.453 9.223 4.599) 11.227 23.310 ( 1.871 7.230 -3.842) 8.399 27.374 ( 2.818 -18.840 -0.234) 19.051 27.481 ( -4.502 -23.228 4.954) 24.174 28.886 ( 1.855 21.873 1.838) 22.028 29.355 ( 1.586 14.032 -7.918) 16.190 30.676 ( 2.705 -13.192 1.637) 13.565 30.791 ( -0.768 -6.288 3.326) 7.155 30.838 ( -2.351 -8.641 3.424) 9.588 31.356 ( 3.202 -2.759 1.120) 4.372 31.579 ( -1.740 -5.048 5.855) 7.924 31.732 ( -0.908 9.347 -1.539) 9.516 31.792 ( 1.353 13.676 -4.083) 14.336 32.556 ( 3.601 -4.636 -14.240) 15.402 32.987 ( 3.998 -10.759 -4.437) 12.306 33.263 ( 13.127 2.245 -15.376) 20.342 33.462 ( -4.791 5.226 6.519) 9.632 33.702 ( 1.944 5.065 -7.391) 9.169 35.392 ( -0.515 -2.455 1.559) 2.953 35.460 ( 0.235 -1.246 -0.689) 1.443 35.754 ( -5.857 -3.447 5.124) 8.511 35.928 ( 1.922 -2.344 -2.932) 4.217 36.246 ( 0.335 -0.377 6.097) 6.118 36.420 ( 2.753 -4.986 2.679) 6.295 37.073 ( -15.546 0.797 20.045) 25.379 38.478 ( 1.239 19.131 -10.766) 21.987 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 9.213 -1.645 0.163) 9.360 2.444 ( 6.950 -1.033 3.828) 8.002 2.508 ( 7.844 0.214 4.263) 8.930 2.692 ( -13.249 -7.278 -0.556) 15.127 2.820 ( 8.378 0.397 2.940) 8.888 2.962 ( 4.782 -7.231 -2.336) 8.978 3.035 ( -3.388 -0.991 -7.880) 8.635 3.219 ( 0.765 -2.291 -2.300) 3.336 3.506 ( -3.954 0.815 -8.277) 9.209 3.575 ( 0.783 -3.480 -1.776) 3.985 3.754 ( -1.511 -3.556 -4.380) 5.841 3.807 ( 1.943 -10.095 -7.850) 12.934 4.013 ( -4.867 8.813 -4.522) 11.037 4.127 ( -2.686 8.587 7.802) 11.908 4.268 ( 3.595 -6.177 -7.235) 10.170 4.447 ( -6.299 -1.897 3.574) 7.486 4.724 ( 0.170 -0.761 8.457) 8.493 4.875 ( 2.165 -1.804 -3.203) 4.266 4.993 ( -2.528 3.662 1.445) 4.679 5.192 ( -0.738 -2.700 -1.040) 2.986 5.463 ( 3.214 -1.727 -2.065) 4.192 5.605 ( 1.309 4.172 3.730) 5.747 5.639 ( -0.891 2.495 -2.053) 3.352 5.809 ( -0.879 -1.800 4.687) 5.097 5.969 ( -0.502 -0.949 1.945) 2.222 6.100 ( 3.746 -2.381 3.155) 5.446 6.265 ( -4.549 -3.977 -9.208) 11.013 6.424 ( -2.733 -0.053 -2.501) 3.705 6.582 ( 0.412 4.812 6.807) 8.346 6.772 ( 0.374 2.905 2.356) 3.759 7.827 ( 3.201 1.196 4.751) 5.852 7.899 ( 0.583 2.888 0.276) 2.959 8.228 ( 2.054 1.465 2.226) 3.364 8.534 ( -1.483 0.569 -4.150) 4.444 8.927 ( -3.553 -2.232 -2.321) 4.795 9.066 ( 2.149 0.586 4.004) 4.582 9.236 ( -3.649 -1.333 -1.235) 4.077 9.389 ( -1.077 0.023 1.883) 2.169 9.460 ( -0.640 0.487 -2.678) 2.796 9.506 ( 0.752 3.394 -5.066) 6.144 9.791 ( 2.082 -3.146 1.854) 4.204 9.894 ( -1.102 4.389 0.090) 4.527 10.064 ( 1.351 5.413 -3.843) 6.774 10.197 ( -1.389 -2.570 1.812) 3.438 10.494 ( -4.027 5.638 -0.973) 6.997 10.652 ( 3.335 4.069 -4.424) 6.874 11.096 ( -3.422 1.090 5.331) 6.428 11.414 ( 0.524 -4.058 3.963) 5.696 11.485 ( -0.185 1.471 -1.538) 2.136 11.554 ( 4.293 7.578 -6.077) 10.620 11.656 ( -0.486 5.887 -4.641) 7.512 11.822 ( -3.610 -5.814 -4.623) 8.259 12.155 ( 3.813 -1.339 2.508) 4.756 12.401 ( -3.700 -0.884 -1.133) 3.969 12.434 ( 3.097 2.001 3.911) 5.375 12.490 ( 2.705 0.255 1.657) 3.183 12.569 ( -2.294 -3.124 -0.039) 3.876 12.811 ( -2.267 7.151 -2.922) 8.050 13.413 ( -0.949 1.230 2.999) 3.377 13.461 ( 0.482 -2.260 2.333) 3.284 13.647 ( 4.809 -6.655 2.620) 8.618 13.851 ( -5.253 2.288 -6.231) 8.465 14.373 ( 10.737 0.872 3.095) 11.208 14.623 ( -1.735 0.936 1.358) 2.393 15.087 ( -0.682 -7.880 0.458) 7.923 15.304 ( -3.746 -4.797 3.112) 6.835 15.438 ( -0.833 -2.669 -0.679) 2.877 15.554 ( -0.628 -5.783 -0.316) 5.826 16.115 ( -3.890 -1.458 -0.356) 4.170 16.215 ( 5.011 1.373 0.480) 5.218 16.394 ( 1.683 4.603 2.874) 5.681 16.603 ( -2.833 -9.825 -4.991) 11.378 17.088 ( 4.005 -2.505 1.144) 4.860 17.222 ( -1.872 -4.053 -0.020) 4.464 17.450 ( 2.253 -0.229 1.276) 2.599 17.551 ( -3.081 -0.123 -0.107) 3.085 20.111 ( 2.362 -1.891 0.709) 3.108 20.178 ( 3.503 -5.947 -2.311) 7.279 20.500 ( -1.384 9.108 2.821) 9.634 20.655 ( 0.499 8.943 -3.599) 9.653 22.458 ( -4.290 -13.370 2.890) 14.336 22.683 ( 2.975 -10.162 -4.918) 11.675 22.914 ( -4.238 7.622 5.302) 10.206 23.151 ( 1.627 9.389 -3.803) 10.260 27.773 ( 6.085 -21.196 1.494) 22.103 27.882 ( -6.759 -23.131 3.512) 24.353 28.514 ( 1.945 22.757 3.770) 23.150 29.018 ( -1.593 17.427 -12.336) 21.411 30.876 ( -0.305 -7.487 4.866) 8.935 30.956 ( 2.934 -8.602 4.065) 9.956 31.038 ( 0.756 -8.872 2.216) 9.176 31.435 ( 3.180 -0.091 2.379) 3.972 31.519 ( 4.381 9.196 -3.758) 10.857 31.579 ( 1.646 8.591 0.251) 8.750 31.687 ( -6.700 -4.288 5.145) 9.474 32.499 ( 4.176 2.703 -22.244) 22.794 33.150 ( 4.940 -5.303 -2.842) 7.785 33.246 ( -2.911 0.324 -3.388) 4.479 33.411 ( 1.837 -0.864 2.946) 3.578 33.577 ( 0.331 6.339 -3.397) 7.200 35.432 ( -0.319 -1.284 1.609) 2.083 35.486 ( 0.175 -1.498 -0.218) 1.524 35.794 ( -6.222 -2.835 4.986) 8.462 35.942 ( 0.932 0.604 -1.047) 1.526 36.282 ( -2.369 -0.011 7.713) 8.069 36.508 ( -1.513 -2.208 3.158) 4.140 37.162 ( -1.370 -7.972 11.991) 14.465 38.081 ( 0.939 17.242 -13.660) 22.017 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 6.138 10.716 9.178) 15.386 2.339 ( 6.179 12.379 2.702) 14.097 2.543 ( 11.153 14.693 2.354) 18.596 2.633 ( -4.924 0.618 -4.727) 6.853 2.974 ( 4.503 6.292 2.771) 8.219 3.095 ( 6.427 -11.217 -2.833) 13.235 3.116 ( -8.093 -12.697 0.839) 15.080 3.278 ( -10.091 -6.649 -4.293) 12.824 3.400 ( 8.191 6.216 3.726) 10.937 3.641 ( 0.212 -6.662 -2.720) 7.199 3.694 ( -2.699 1.945 -4.430) 5.540 3.862 ( 0.893 2.897 0.205) 3.039 3.946 ( -4.287 -5.552 1.166) 7.111 4.057 ( 5.469 -3.002 -7.779) 9.972 4.349 ( -1.209 -0.955 -3.080) 3.444 4.435 ( -9.733 -5.387 -2.084) 11.318 4.702 ( -0.132 5.407 5.825) 7.949 4.947 ( 1.150 1.308 -1.814) 2.515 4.972 ( 1.587 -4.331 2.267) 5.140 5.183 ( -3.102 -3.883 -8.601) 9.934 5.443 ( 3.840 6.231 1.720) 7.519 5.597 ( 1.831 -0.828 -4.233) 4.686 5.697 ( 3.363 -4.082 6.295) 8.222 5.852 ( -0.991 -0.862 5.767) 5.915 5.947 ( -5.690 0.136 1.256) 5.829 6.186 ( -4.184 1.486 -5.688) 7.216 6.221 ( 8.102 -1.990 2.588) 8.735 6.380 ( -5.838 0.132 -1.411) 6.007 6.593 ( 0.945 0.212 4.175) 4.285 6.737 ( -0.207 1.694 0.300) 1.733 7.846 ( 1.479 0.455 3.388) 3.725 7.904 ( 3.949 0.577 2.262) 4.588 8.248 ( 0.237 0.271 2.422) 2.448 8.450 ( -2.281 2.940 -6.029) 7.085 8.915 ( -1.685 -0.302 -1.179) 2.078 9.076 ( -0.412 1.596 -0.186) 1.659 9.192 ( -3.929 0.669 0.067) 3.986 9.371 ( 0.036 1.966 -1.717) 2.611 9.432 ( 0.204 -3.016 -6.341) 7.025 9.485 ( 1.653 -1.581 -0.990) 2.492 9.786 ( 1.019 3.948 4.280) 5.911 9.839 ( -5.616 -0.050 1.733) 5.877 10.149 ( 9.891 -6.832 1.761) 12.149 10.271 ( -0.516 -4.074 2.591) 4.855 10.371 ( -3.771 2.384 -0.228) 4.467 10.599 ( 1.357 2.586 -3.694) 4.709 11.084 ( -4.340 0.565 5.462) 6.999 11.341 ( -0.918 6.607 -3.847) 7.700 11.434 ( -0.992 4.064 1.084) 4.322 11.530 ( -0.745 1.005 -4.128) 4.314 11.620 ( 5.650 -4.187 5.224) 8.760 11.906 ( -1.860 -7.024 -3.962) 8.276 12.241 ( 1.814 -3.087 1.359) 3.830 12.322 ( 0.204 5.522 2.632) 6.120 12.392 ( 2.761 1.502 -3.509) 4.711 12.565 ( -3.414 12.200 -4.417) 13.417 12.605 ( -1.427 -7.000 2.180) 7.469 12.686 ( -0.480 -8.584 -0.891) 8.644 13.382 ( -4.301 2.820 3.144) 6.028 13.496 ( 2.628 -0.510 -2.339) 3.555 13.791 ( 0.118 -1.016 0.941) 1.390 13.873 ( 6.248 -8.752 2.006) 10.939 14.339 ( 1.850 8.090 5.911) 10.188 14.603 ( -0.170 1.466 -3.806) 4.082 15.239 ( -1.884 -5.169 3.397) 6.466 15.312 ( 2.904 1.467 2.567) 4.144 15.491 ( -0.135 -0.534 -2.809) 2.863 15.550 ( -6.422 -4.862 -3.792) 8.903 16.129 ( 1.927 1.078 4.197) 4.742 16.233 ( -2.205 4.269 0.060) 4.806 16.338 ( 4.390 1.690 5.476) 7.219 16.711 ( -1.785 -8.194 -11.001) 13.833 17.155 ( 5.254 0.105 0.702) 5.302 17.236 ( -3.784 -0.043 -1.375) 4.026 17.464 ( 3.242 1.278 2.616) 4.358 17.517 ( -4.340 1.115 0.213) 4.486 20.123 ( -1.344 8.869 -0.774) 9.004 20.166 ( 3.388 0.796 -2.305) 4.175 20.507 ( -1.944 0.351 -0.973) 2.202 20.512 ( 2.981 -3.917 -0.561) 4.954 22.641 ( -3.021 -5.628 3.501) 7.284 22.731 ( -2.248 3.649 2.211) 4.823 22.932 ( 2.326 -9.909 -2.588) 10.502 22.978 ( 0.825 8.031 -2.365) 8.412 28.060 ( 0.979 14.373 3.583) 14.845 28.227 ( 6.821 -18.570 1.721) 19.858 28.320 ( -5.227 -14.406 2.916) 15.599 28.583 ( -3.489 18.624 -14.763) 24.020 31.014 ( -0.302 -2.850 5.880) 6.541 31.077 ( -2.164 1.754 2.542) 3.771 31.187 ( 3.720 -10.360 0.025) 11.008 31.281 ( 1.015 8.984 -1.812) 9.221 31.486 ( 1.457 3.275 2.267) 4.241 31.619 ( 4.896 -2.532 0.138) 5.513 31.727 ( -1.496 -3.448 5.980) 7.063 32.318 ( 4.430 5.745 -20.762) 21.993 33.134 ( -2.826 6.320 2.830) 7.479 33.237 ( 3.260 0.049 -2.398) 4.047 33.453 ( -3.994 2.829 1.067) 5.009 33.544 ( 4.137 -7.550 -2.002) 8.839 35.450 ( -0.487 0.060 2.054) 2.112 35.499 ( 0.117 0.279 -0.205) 0.365 35.809 ( -6.011 -0.794 5.295) 8.050 35.920 ( 0.690 1.656 -0.443) 1.848 36.284 ( -3.862 1.685 6.574) 7.809 36.531 ( -3.127 -0.413 3.586) 4.775 37.408 ( 2.104 -10.654 3.914) 11.544 37.789 ( 2.505 6.048 -10.477) 12.354 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 4.570 11.962 12.993) 18.243 2.075 ( 3.248 20.654 2.405) 21.046 2.332 ( 8.710 14.846 -4.257) 17.731 2.534 ( 6.127 4.580 -10.653) 13.114 2.923 ( 3.790 5.761 14.420) 15.984 3.083 ( -5.195 4.657 0.181) 6.979 3.240 ( -1.268 -4.885 -1.943) 5.408 3.364 ( -2.462 -7.318 -3.232) 8.370 3.450 ( 0.772 1.053 2.466) 2.790 3.699 ( 4.935 -2.380 0.949) 5.561 3.724 ( -3.044 -5.107 -7.154) 9.302 3.888 ( 3.849 -2.048 -3.716) 5.729 4.001 ( 8.528 1.232 5.181) 10.054 4.082 ( -8.859 -2.176 -7.684) 11.927 4.299 ( -1.457 2.074 4.977) 5.585 4.497 ( -7.134 -7.948 -4.185) 11.471 4.675 ( 6.043 2.699 12.309) 13.976 4.909 ( 0.036 2.349 -3.989) 4.629 5.016 ( -6.629 -1.884 0.455) 6.906 5.229 ( 0.258 -6.497 -10.551) 12.394 5.331 ( 2.015 9.717 2.198) 10.164 5.511 ( 0.527 6.096 -8.328) 10.334 5.882 ( 3.259 -4.394 6.683) 8.636 5.901 ( -8.277 -7.197 2.688) 11.293 5.927 ( -5.459 -3.314 5.198) 8.234 6.139 ( -1.896 -1.602 0.085) 2.484 6.261 ( 1.035 1.269 -1.355) 2.126 6.395 ( 6.744 -3.418 -2.248) 7.887 6.612 ( -2.016 -0.920 2.922) 3.667 6.714 ( 0.383 1.048 -1.281) 1.699 7.871 ( -1.436 -1.112 1.654) 2.456 7.945 ( 5.468 0.051 0.822) 5.530 8.214 ( -3.951 2.194 2.155) 5.007 8.370 ( 1.723 2.552 -4.291) 5.281 8.913 ( -0.452 -0.593 1.594) 1.760 9.013 ( -2.098 -0.023 -5.127) 5.539 9.195 ( -1.137 -1.440 2.842) 3.383 9.346 ( 1.817 -0.350 -3.976) 4.385 9.510 ( 0.441 -5.518 -1.490) 5.732 9.525 ( -1.103 -3.649 -1.449) 4.078 9.781 ( 5.159 2.874 7.226) 9.332 9.842 ( -1.291 -2.355 -1.138) 2.917 10.270 ( 4.804 3.372 8.262) 10.134 10.327 ( -3.593 0.208 -1.702) 3.981 10.387 ( -2.287 -5.968 1.017) 6.471 10.577 ( 2.557 -4.394 -3.744) 6.314 11.078 ( -4.273 -1.377 3.561) 5.730 11.228 ( 1.342 3.771 -1.072) 4.143 11.373 ( -1.063 3.212 1.176) 3.582 11.497 ( 2.229 -0.275 -4.361) 4.905 11.803 ( 5.986 -5.181 8.192) 11.393 11.949 ( -3.144 -0.992 -3.523) 4.826 12.248 ( 1.919 5.078 1.740) 5.700 12.301 ( -0.495 -3.275 0.722) 3.390 12.324 ( -1.528 4.740 -3.137) 5.886 12.430 ( 0.897 -4.045 -4.914) 6.427 12.740 ( -1.011 -6.673 1.923) 7.018 12.815 ( -0.852 -6.081 -1.113) 6.240 13.315 ( -4.039 1.939 2.611) 5.185 13.484 ( 2.937 1.348 -3.733) 4.937 13.847 ( 2.748 0.308 6.557) 7.117 13.961 ( -3.849 3.571 -2.496) 5.814 14.330 ( 3.773 -4.526 6.027) 8.428 14.526 ( -0.247 2.622 -6.721) 7.219 15.206 ( -0.646 5.537 4.624) 7.242 15.293 ( -3.856 4.712 -2.552) 6.602 15.501 ( 3.975 -0.901 4.254) 5.891 15.635 ( -3.759 -6.774 -5.946) 9.766 16.022 ( -7.740 9.757 0.616) 12.469 16.145 ( 9.161 4.952 2.886) 10.806 16.449 ( 1.739 -4.254 5.173) 6.920 16.715 ( -3.552 -1.987 -12.584) 13.226 17.115 ( -1.710 5.126 0.465) 5.424 17.205 ( 3.425 2.625 -2.958) 5.232 17.444 ( -4.637 1.294 1.702) 5.106 17.502 ( 3.042 0.823 2.199) 3.843 19.942 ( 0.494 8.817 0.268) 8.835 20.079 ( 4.702 8.742 -6.589) 11.914 20.540 ( -3.518 -7.554 3.021) 8.863 20.677 ( 2.810 -8.800 -2.104) 9.474 22.550 ( -3.071 9.899 4.371) 11.249 22.684 ( 1.200 7.204 -2.199) 7.627 22.938 ( -3.696 -5.724 3.321) 7.580 23.127 ( 3.325 -10.313 -3.832) 11.493 27.726 ( 1.780 22.445 5.920) 23.281 28.010 ( -6.743 22.759 -15.233) 28.205 28.640 ( -7.246 -22.112 -0.553) 23.276 28.738 ( 12.712 -19.546 3.338) 23.554 30.944 ( -2.175 7.047 2.355) 7.742 31.021 ( -2.155 6.076 -1.296) 6.576 31.198 ( -2.873 1.887 4.705) 5.827 31.383 ( 1.605 -4.954 -2.361) 5.718 31.478 ( 0.038 0.937 2.636) 2.798 31.591 ( -0.846 -1.437 -1.013) 1.951 31.843 ( -0.134 -2.737 -0.755) 2.843 32.233 ( 19.324 0.985 -11.453) 22.485 33.016 ( 0.079 7.325 3.507) 8.121 33.154 ( 2.960 8.918 -2.928) 9.842 33.449 ( -5.176 -3.525 4.791) 7.885 33.696 ( 3.136 -7.842 -4.977) 9.803 35.443 ( -1.074 1.536 2.168) 2.865 35.480 ( 0.439 1.543 -0.280) 1.628 35.790 ( -5.199 1.899 6.937) 8.875 35.900 ( 0.591 0.698 -0.200) 0.937 36.249 ( -3.150 1.735 2.813) 4.566 36.489 ( -0.238 4.980 -2.025) 5.381 37.472 ( -16.757 -4.498 4.580) 17.944 37.930 ( 14.549 -14.441 -4.342) 20.954 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 12.034 0.000 -16.256) 20.226 2.167 ( -7.684 -0.000 -16.102) 17.841 2.366 ( -11.976 -0.000 -1.343) 12.051 2.411 ( 1.443 0.000 -23.531) 23.575 2.835 ( -0.492 -0.000 6.243) 6.263 3.019 ( 22.661 0.000 5.266) 23.265 3.143 ( 4.602 0.000 -1.703) 4.907 3.282 ( -6.344 -0.000 0.611) 6.373 3.427 ( -2.259 -0.000 -4.754) 5.263 3.457 ( 5.781 0.000 -5.649) 8.083 3.663 ( 3.953 0.000 -4.768) 6.194 3.710 ( -0.783 -0.000 -0.031) 0.784 3.783 ( -4.382 -0.000 4.599) 6.353 4.062 ( 11.411 0.000 7.831) 13.839 4.371 ( -1.374 -0.000 -8.168) 8.283 4.426 ( -3.845 -0.000 10.481) 11.164 4.552 ( 1.130 0.000 14.823) 14.866 4.889 ( 0.423 0.000 4.182) 4.204 4.970 ( -4.503 -0.000 -3.441) 5.667 5.086 ( -1.173 -0.000 -2.902) 3.130 5.460 ( -6.266 -0.000 -7.121) 9.486 5.695 ( -12.263 -0.000 -4.446) 13.044 5.732 ( 13.795 0.000 20.155) 24.424 5.820 ( -1.021 -0.000 -7.940) 8.005 5.894 ( -3.908 -0.000 4.226) 5.757 5.915 ( -9.194 -0.000 -3.651) 9.892 6.265 ( -4.011 -0.000 -4.339) 5.909 6.528 ( -4.428 -0.000 -4.376) 6.225 6.950 ( 3.582 0.000 -2.828) 4.563 6.951 ( 2.752 0.000 2.546) 3.749 7.859 ( 2.477 0.000 2.000) 3.183 8.215 ( -5.578 -0.000 -3.130) 6.396 8.388 ( 1.491 0.000 3.438) 3.748 8.402 ( 1.804 0.000 2.017) 2.706 8.819 ( -0.116 -0.000 5.700) 5.701 8.979 ( -3.291 -0.000 0.855) 3.400 9.265 ( -1.092 -0.000 -0.756) 1.328 9.345 ( 2.228 0.000 -4.832) 5.321 9.522 ( -2.390 -0.000 -2.130) 3.201 9.525 ( -0.386 -0.000 -7.535) 7.545 9.791 ( -2.283 -0.000 0.599) 2.360 9.955 ( 1.870 0.000 -5.338) 5.656 10.328 ( 2.305 0.000 2.167) 3.164 10.347 ( 10.612 0.000 3.030) 11.036 10.722 ( -13.030 -0.000 -0.834) 13.057 10.974 ( 2.488 0.000 -7.004) 7.433 11.136 ( 2.269 0.000 -0.929) 2.452 11.147 ( -7.555 -0.000 5.228) 9.188 11.445 ( -2.031 -0.000 -2.705) 3.382 11.624 ( -1.276 -0.000 -5.126) 5.283 11.951 ( -6.278 -0.000 -6.630) 9.130 12.106 ( 7.608 0.000 11.106) 13.462 12.138 ( 6.211 0.000 3.407) 7.084 12.276 ( 0.097 0.000 -6.467) 6.468 12.468 ( 0.883 0.000 -12.486) 12.518 12.546 ( 6.052 0.000 10.304) 11.949 12.850 ( -1.024 -0.000 3.328) 3.482 13.011 ( 5.022 0.000 2.197) 5.482 13.360 ( -2.214 -0.000 -1.400) 2.619 13.481 ( -0.460 -0.000 4.005) 4.031 13.578 ( -1.096 -0.000 -1.909) 2.202 13.744 ( -3.332 -0.000 -3.972) 5.184 14.220 ( 4.176 0.000 3.003) 5.143 14.482 ( 1.616 0.000 0.345) 1.653 14.532 ( 1.212 0.000 0.438) 1.288 14.947 ( -5.815 -0.000 2.983) 6.536 15.026 ( 0.214 0.000 -0.286) 0.357 15.215 ( 1.591 0.000 -3.419) 3.771 15.863 ( 9.138 0.000 -0.369) 9.145 16.436 ( 0.484 0.000 -2.200) 2.253 16.575 ( -5.514 -0.000 -1.249) 5.654 16.659 ( -3.489 -0.000 -1.507) 3.800 16.912 ( 0.261 0.000 0.826) 0.866 16.978 ( 1.114 0.000 0.147) 1.124 17.204 ( 0.125 0.000 0.890) 0.899 17.585 ( -1.851 -0.000 -1.410) 2.327 19.854 ( 6.474 0.000 0.606) 6.502 20.176 ( 1.843 0.000 2.028) 2.741 20.975 ( -0.792 -0.000 2.099) 2.244 20.988 ( 1.750 0.000 -0.054) 1.750 21.963 ( -5.229 -0.000 3.083) 6.071 22.291 ( 0.870 0.000 -4.687) 4.767 23.291 ( -3.164 -0.000 2.557) 4.068 23.445 ( 1.631 0.000 -3.721) 4.063 26.973 ( 0.321 0.000 0.210) 0.383 26.974 ( 0.119 0.000 0.331) 0.352 29.428 ( 1.941 0.000 0.613) 2.036 29.627 ( 0.081 0.000 -5.035) 5.035 30.260 ( 3.711 0.000 3.961) 5.428 30.673 ( -0.416 -0.000 2.430) 2.465 30.713 ( -2.650 -0.000 4.052) 4.841 31.275 ( 4.607 0.000 1.153) 4.749 31.451 ( -0.928 -0.000 3.744) 3.857 31.991 ( 0.322 0.000 -2.105) 2.129 32.174 ( 0.828 0.000 -1.305) 1.546 32.353 ( 1.556 0.000 -8.946) 9.080 32.657 ( 0.493 0.000 -4.194) 4.223 33.365 ( 25.118 0.000 -32.817) 41.326 33.562 ( -5.756 -0.000 7.300) 9.296 33.799 ( 4.060 0.000 -11.010) 11.734 35.325 ( -1.528 -0.000 2.050) 2.557 35.454 ( 1.403 0.000 -1.892) 2.356 35.681 ( -4.929 -0.000 3.897) 6.284 35.815 ( 2.823 0.000 -5.908) 6.548 36.236 ( 4.054 0.000 2.839) 4.949 36.344 ( -0.560 -0.000 11.183) 11.197 37.140 ( -21.490 -0.000 26.600) 34.196 38.892 ( -3.493 -0.000 -7.089) 7.903 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 9.032 -11.041 -9.729) 17.267 2.060 ( -10.069 -9.372 -4.970) 14.626 2.275 ( -7.413 -5.693 -10.047) 13.722 2.433 ( -0.550 -13.172 -18.120) 22.408 2.768 ( 0.699 5.315 7.027) 8.838 3.005 ( 8.484 12.898 -6.015) 16.569 3.182 ( 6.946 -0.167 -6.484) 9.504 3.245 ( -6.528 0.266 -5.754) 8.706 3.432 ( 1.162 0.571 -5.149) 5.309 3.503 ( 9.027 -1.039 1.558) 9.219 3.625 ( -2.757 1.221 -2.963) 4.227 3.767 ( 4.656 3.342 2.912) 6.429 3.898 ( 0.547 -15.803 3.462) 16.187 4.161 ( 0.328 -1.694 -0.167) 1.733 4.300 ( 0.456 3.180 2.158) 3.870 4.498 ( -3.451 -1.188 9.226) 9.922 4.706 ( 3.148 -1.354 18.577) 18.891 4.860 ( -2.702 2.805 -1.171) 4.067 4.975 ( 3.011 -4.733 4.387) 7.121 5.089 ( -0.337 -0.876 0.780) 1.220 5.381 ( -3.121 -0.628 -5.880) 6.686 5.612 ( -9.495 -3.815 -5.443) 11.590 5.753 ( -0.098 1.799 -6.326) 6.578 5.840 ( -6.658 -2.822 -7.354) 10.314 5.864 ( -4.387 1.898 4.604) 6.637 5.965 ( 9.207 -1.883 12.306) 15.484 6.201 ( -1.537 1.316 -3.039) 3.651 6.459 ( -3.934 0.429 -5.095) 6.451 6.878 ( 1.804 7.571 -1.903) 8.013 6.938 ( 1.980 4.745 2.314) 5.638 7.868 ( 0.554 1.161 3.721) 3.937 8.082 ( -6.405 4.378 -4.374) 8.906 8.356 ( 1.975 4.948 0.611) 5.363 8.478 ( 1.011 -2.262 2.442) 3.479 8.885 ( 2.467 -0.907 5.929) 6.486 9.017 ( -0.458 -4.723 2.271) 5.261 9.204 ( -0.464 3.765 0.949) 3.910 9.335 ( 2.497 -0.905 -6.615) 7.128 9.476 ( -4.864 -0.970 -6.465) 8.149 9.494 ( -2.515 -1.489 -5.895) 6.580 9.794 ( -0.620 0.073 2.100) 2.190 9.947 ( 1.553 -1.174 -4.474) 4.880 10.302 ( 0.282 4.721 1.488) 4.958 10.397 ( 6.897 7.603 -0.348) 10.271 10.557 ( -11.612 1.128 -0.885) 11.700 10.891 ( 0.344 5.971 -7.530) 9.616 11.119 ( -6.939 -0.713 4.514) 8.308 11.215 ( 3.008 -5.435 0.707) 6.252 11.426 ( -1.984 -2.457 -3.104) 4.428 11.591 ( -1.378 -0.555 -5.690) 5.881 11.854 ( -3.644 2.604 -5.138) 6.816 12.091 ( 8.508 12.602 -9.890) 18.139 12.184 ( -1.799 -0.143 9.621) 9.789 12.279 ( 6.359 2.733 0.020) 6.922 12.406 ( 2.144 -1.058 3.253) 4.037 12.643 ( 2.779 1.972 5.548) 6.511 12.837 ( -0.699 6.930 1.173) 7.063 12.879 ( 2.418 6.582 0.236) 7.016 13.341 ( 0.778 -0.994 1.926) 2.303 13.470 ( -3.463 0.356 2.687) 4.398 13.619 ( -0.958 -0.819 -2.115) 2.462 13.735 ( -7.457 -7.147 -9.163) 13.807 14.322 ( 14.263 2.104 9.438) 17.232 14.565 ( 0.376 -5.403 -1.079) 5.522 14.774 ( 2.949 -18.642 6.018) 19.810 15.026 ( -3.975 -9.485 2.518) 10.588 15.068 ( 0.454 -5.244 -0.979) 5.354 15.247 ( 1.826 -5.788 -0.212) 6.073 15.992 ( 6.583 -6.740 -1.282) 9.508 16.330 ( -4.916 6.612 -5.074) 9.677 16.481 ( -1.835 4.155 0.819) 4.616 16.601 ( -1.698 4.056 -0.661) 4.446 16.946 ( 3.515 -3.255 1.291) 4.962 17.051 ( 0.007 -5.217 0.134) 5.218 17.284 ( 0.790 -6.366 1.331) 6.552 17.551 ( -3.569 -0.205 -2.917) 4.614 19.946 ( 6.044 -3.909 1.122) 7.285 20.151 ( -1.179 2.712 0.003) 2.957 20.883 ( -1.585 8.703 2.598) 9.219 20.960 ( 1.801 5.571 -1.272) 5.992 22.022 ( -4.687 -8.300 3.887) 10.294 22.335 ( 1.242 -6.922 -5.641) 9.015 23.214 ( -4.075 6.745 3.151) 8.487 23.400 ( 1.580 3.861 -4.316) 6.002 27.101 ( 2.057 -13.206 0.326) 13.370 27.118 ( -2.018 -15.065 1.600) 15.283 29.271 ( 2.049 16.682 1.885) 16.913 29.516 ( -1.595 8.374 -6.833) 10.925 30.501 ( 9.076 -12.813 10.518) 18.899 30.723 ( 0.577 -3.277 3.249) 4.651 30.745 ( -1.507 -3.390 4.213) 5.614 31.347 ( 5.156 -2.512 2.155) 6.127 31.498 ( -2.212 -3.928 3.235) 5.549 31.883 ( -0.992 8.490 -3.098) 9.092 32.023 ( 0.780 12.595 -3.173) 13.012 32.384 ( -0.058 -6.433 -12.079) 13.686 32.773 ( 1.188 -11.740 -2.923) 12.156 33.304 ( 16.512 2.970 -33.458) 37.429 33.535 ( -4.424 2.750 6.344) 8.208 33.751 ( 3.936 2.803 -7.580) 8.989 35.350 ( -1.016 -2.362 2.167) 3.363 35.449 ( 0.947 0.194 -1.461) 1.752 35.681 ( -5.482 -2.202 3.585) 6.911 35.856 ( 3.846 -4.411 -5.519) 8.044 36.291 ( 3.434 -0.051 4.918) 5.999 36.396 ( -1.404 -1.472 6.106) 6.436 37.143 ( -13.295 2.976 32.063) 34.837 38.684 ( -5.179 11.929 -13.223) 18.547 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 5.883 -12.935 3.010) 14.525 2.295 ( -9.034 -16.982 -2.936) 19.458 2.338 ( -9.606 -15.499 -0.250) 18.236 2.652 ( 2.652 -10.435 -3.892) 11.449 2.749 ( 5.516 -1.810 -5.844) 8.237 2.895 ( 12.614 -0.074 -5.661) 13.826 3.043 ( -11.808 6.334 -5.245) 14.390 3.173 ( 0.938 1.368 -7.681) 7.858 3.402 ( -1.291 -0.367 -1.505) 2.016 3.578 ( -0.648 -5.016 -4.641) 6.864 3.663 ( 13.008 -0.283 -2.841) 13.318 3.716 ( 4.127 4.531 -4.355) 7.518 4.048 ( -3.129 2.445 -4.930) 6.331 4.136 ( -3.073 -5.554 -5.783) 8.586 4.340 ( 1.569 1.075 11.569) 11.724 4.413 ( -11.231 8.574 6.894) 15.722 4.803 ( 1.820 1.335 8.717) 9.005 4.883 ( 6.852 -1.260 9.150) 11.500 5.067 ( -3.787 3.604 2.871) 5.964 5.120 ( 0.121 -3.806 1.471) 4.082 5.429 ( 6.229 -4.831 0.887) 7.933 5.613 ( -3.210 -4.483 -4.562) 7.156 5.678 ( -0.562 3.622 -5.031) 6.225 5.800 ( -0.611 1.631 3.600) 4.000 5.825 ( -12.036 -8.132 -7.838) 16.505 6.104 ( 6.267 -1.454 0.850) 6.490 6.192 ( 2.673 -0.308 2.332) 3.561 6.403 ( -2.733 0.200 -4.347) 5.139 6.735 ( -0.401 7.872 4.178) 8.921 6.873 ( 1.832 5.223 1.869) 5.842 7.883 ( -0.452 0.126 4.307) 4.333 7.966 ( 0.065 3.167 -1.738) 3.613 8.300 ( 4.873 4.130 1.964) 6.683 8.474 ( -6.241 0.126 -2.903) 6.885 8.928 ( 1.392 0.135 3.621) 3.881 9.109 ( 2.126 -1.705 2.228) 3.520 9.183 ( -0.031 -0.029 2.555) 2.555 9.366 ( 1.397 -2.889 -2.411) 4.014 9.402 ( -5.445 -0.236 -9.231) 10.720 9.470 ( -1.903 -1.539 -6.684) 7.118 9.813 ( 1.365 -0.874 3.877) 4.202 9.961 ( 3.559 0.637 0.260) 3.624 10.167 ( -3.164 8.539 -2.767) 9.518 10.219 ( -2.431 7.452 -1.632) 8.007 10.526 ( -2.126 1.260 2.023) 3.194 10.725 ( 0.213 6.519 -6.544) 9.239 11.118 ( -3.522 0.122 6.004) 6.962 11.350 ( 2.165 -5.752 3.510) 7.077 11.477 ( 2.447 -3.290 -4.695) 6.234 11.564 ( -3.799 -3.291 -4.679) 6.867 11.732 ( -3.391 4.411 -4.039) 6.875 11.803 ( 0.103 13.218 -9.773) 16.439 12.238 ( 3.440 0.698 6.209) 7.133 12.298 ( 2.402 0.056 1.904) 3.066 12.460 ( -0.344 -0.813 3.066) 3.190 12.575 ( -0.370 5.166 -0.249) 5.185 12.682 ( 3.204 8.723 3.004) 9.767 12.855 ( -0.764 1.814 -2.349) 3.064 13.445 ( 3.211 -3.416 4.119) 6.241 13.453 ( -2.288 0.843 3.732) 4.458 13.604 ( 2.267 -1.562 -0.916) 2.902 13.718 ( -7.819 -3.984 -9.335) 12.812 14.481 ( 12.291 -2.480 6.335) 14.048 14.617 ( -2.775 -1.162 -2.796) 4.107 14.986 ( -0.119 -4.027 5.023) 6.439 15.163 ( -1.686 -7.454 1.264) 7.746 15.305 ( 0.098 -13.126 2.295) 13.326 15.435 ( 3.739 -10.033 1.308) 10.787 16.088 ( -3.599 1.573 -1.884) 4.356 16.196 ( 1.569 -2.775 -5.195) 6.095 16.441 ( -4.838 -0.456 2.204) 5.336 16.537 ( 6.616 3.093 0.401) 7.314 17.064 ( 4.051 -4.577 1.795) 6.371 17.133 ( -1.295 -4.391 -0.317) 4.589 17.412 ( 1.039 -5.436 1.186) 5.660 17.519 ( -3.119 -0.933 -2.188) 3.922 20.082 ( 4.559 -6.056 -0.479) 7.596 20.104 ( -1.834 0.201 -0.302) 1.869 20.697 ( -2.183 11.508 2.853) 12.056 20.819 ( 1.916 9.873 -2.801) 10.440 22.205 ( -4.343 -12.729 4.259) 14.108 22.478 ( 2.473 -10.768 -5.910) 12.530 23.059 ( -4.435 8.454 4.863) 10.714 23.289 ( 2.038 7.101 -4.598) 8.702 27.437 ( -4.916 -21.475 2.120) 22.133 27.459 ( 6.604 -21.315 1.282) 22.351 28.957 ( 2.505 21.488 3.874) 21.977 29.235 ( -3.484 15.650 -9.100) 18.436 30.783 ( 1.105 -5.630 4.230) 7.128 30.834 ( 3.306 -8.036 1.396) 8.801 30.933 ( 4.334 -10.533 13.892) 17.964 31.459 ( 6.679 -3.038 3.058) 7.949 31.568 ( -4.982 -4.435 2.213) 7.028 31.683 ( -1.807 9.086 -5.129) 10.589 31.784 ( 1.357 12.561 -0.943) 12.669 32.377 ( 0.119 -2.942 -22.763) 22.953 32.990 ( 0.895 -12.196 -1.781) 12.357 33.196 ( 4.267 0.176 -18.464) 18.951 33.480 ( -1.989 3.793 4.975) 6.565 33.674 ( 3.919 5.307 -4.914) 8.226 35.403 ( -0.705 -2.626 1.735) 3.225 35.456 ( 0.345 -1.272 -0.689) 1.487 35.712 ( -6.106 -3.517 4.344) 8.278 35.929 ( 3.825 -2.587 -3.956) 6.080 36.327 ( -0.680 0.943 7.114) 7.208 36.460 ( -0.489 -3.591 1.842) 4.065 37.196 ( -4.165 2.074 28.237) 28.618 38.298 ( -2.871 16.565 -17.419) 24.209 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.365 -3.764 3.749) 5.325 2.447 ( -5.488 -17.681 2.063) 18.628 2.496 ( -0.084 2.879 -0.568) 2.935 2.707 ( -12.737 -4.090 -11.371) 17.557 2.890 ( 11.375 -3.153 12.765) 17.386 3.010 ( 0.015 -11.154 -1.270) 11.226 3.048 ( 2.417 -4.141 -4.366) 6.485 3.070 ( 5.771 2.203 -3.791) 7.248 3.404 ( -3.035 -3.773 -5.832) 7.581 3.631 ( -2.366 -3.971 -9.364) 10.443 3.680 ( 2.035 -5.374 -4.925) 7.568 3.739 ( 6.257 0.857 -1.917) 6.600 3.936 ( -0.494 3.620 -0.016) 3.654 4.113 ( 2.671 5.533 -3.244) 6.947 4.265 ( -7.691 -1.102 0.320) 7.776 4.351 ( 2.752 4.047 7.160) 8.673 4.802 ( -1.377 3.623 5.448) 6.686 4.947 ( -1.697 3.144 -1.316) 3.808 5.017 ( 0.812 -1.721 6.863) 7.122 5.111 ( -0.499 3.152 -4.016) 5.130 5.528 ( 0.974 0.588 -1.113) 1.592 5.570 ( 1.346 -0.219 -3.304) 3.575 5.722 ( 4.948 -2.613 7.842) 9.634 5.830 ( -7.169 -4.581 -3.717) 9.284 5.865 ( -2.004 -4.288 4.302) 6.396 6.110 ( -0.441 -0.083 -8.364) 8.376 6.266 ( 4.843 -1.523 5.134) 7.220 6.355 ( -1.084 0.761 -4.092) 4.301 6.666 ( -1.510 3.669 7.031) 8.073 6.806 ( 1.588 4.297 1.002) 4.689 7.881 ( -2.172 0.671 1.758) 2.874 7.958 ( 4.934 0.753 1.087) 5.109 8.297 ( 1.216 2.811 2.949) 4.252 8.385 ( -5.215 -0.361 -4.777) 7.081 8.965 ( 2.743 0.508 4.830) 5.577 9.112 ( 0.984 3.388 -0.287) 3.539 9.169 ( -4.812 1.037 -1.761) 5.228 9.332 ( -0.200 -1.981 -9.284) 9.495 9.393 ( -0.340 -0.645 0.624) 0.959 9.473 ( 1.553 -1.718 -1.825) 2.949 9.819 ( -0.055 3.849 2.701) 4.703 9.959 ( -0.064 7.825 2.949) 8.363 10.069 ( 3.077 -6.659 -0.258) 7.340 10.158 ( -1.499 -3.740 -2.348) 4.664 10.464 ( -0.699 4.849 3.304) 5.909 10.615 ( -0.561 3.120 -5.505) 6.352 11.115 ( -3.147 1.848 7.232) 8.100 11.419 ( -1.453 4.180 -3.126) 5.418 11.458 ( -2.008 -2.118 -1.246) 3.173 11.561 ( -3.938 6.992 -2.629) 8.444 11.636 ( 7.359 -1.404 2.671) 7.953 11.700 ( -2.505 -8.408 -7.132) 11.306 12.280 ( 5.755 2.776 2.495) 6.860 12.295 ( -3.165 -1.918 -2.555) 4.498 12.486 ( -3.414 -2.668 2.488) 4.996 12.555 ( 1.708 -1.767 1.091) 2.688 12.591 ( 3.790 6.695 3.644) 8.513 12.725 ( -1.306 8.535 -5.163) 10.060 13.411 ( -4.616 2.425 2.901) 5.967 13.517 ( 4.548 0.002 1.913) 4.934 13.707 ( -4.293 -5.374 -4.345) 8.136 13.746 ( 4.965 -8.776 -0.653) 10.104 14.503 ( -7.100 6.371 0.522) 9.554 14.625 ( 6.623 -0.394 0.850) 6.688 15.136 ( 1.953 -7.791 5.723) 9.863 15.252 ( -2.509 -6.630 -2.332) 7.463 15.437 ( 0.182 -1.055 1.767) 2.066 15.552 ( 2.193 1.509 -1.816) 3.223 16.063 ( -3.872 -5.634 4.046) 7.944 16.273 ( 3.529 -1.967 -3.478) 5.331 16.392 ( -8.211 -0.214 -0.033) 8.214 16.598 ( 11.268 -0.243 -1.668) 11.394 17.161 ( -0.039 -3.382 0.880) 3.495 17.189 ( 1.449 -2.087 -0.456) 2.581 17.477 ( -2.668 -1.266 0.134) 2.957 17.516 ( 0.791 -0.478 0.857) 1.261 20.127 ( -1.211 -3.907 0.425) 4.112 20.186 ( 1.546 -1.866 -3.014) 3.868 20.520 ( -0.306 6.514 2.711) 7.062 20.628 ( 1.496 10.469 -3.436) 11.120 22.431 ( -4.181 -13.060 4.274) 14.364 22.673 ( 3.461 -11.249 -5.474) 12.980 22.918 ( -3.264 7.147 6.047) 9.915 23.137 ( 2.520 8.957 -4.102) 10.169 27.796 ( -6.676 -22.633 0.984) 23.618 27.935 ( 11.476 -21.572 2.000) 24.516 28.605 ( 2.642 22.775 5.740) 23.635 28.823 ( -4.818 19.736 -10.886) 23.048 30.908 ( -1.548 -7.275 3.063) 8.044 31.025 ( 3.878 -9.449 -1.182) 10.282 31.152 ( 0.498 -0.664 11.733) 11.763 31.445 ( -0.468 9.358 -1.843) 9.550 31.548 ( -2.098 1.853 -1.657) 3.253 31.634 ( 2.771 1.195 1.627) 3.428 31.669 ( 1.125 -4.152 2.426) 4.938 32.263 ( 2.711 -0.315 -24.675) 24.826 33.135 ( -4.686 -3.818 -2.275) 6.458 33.202 ( 3.391 -5.689 -2.524) 7.088 33.443 ( -1.485 1.026 2.477) 3.064 33.576 ( 3.954 5.923 -2.915) 7.695 35.443 ( -0.931 -1.475 1.724) 2.452 35.484 ( 0.111 -1.557 -0.622) 1.680 35.752 ( -5.951 -3.072 4.913) 8.306 35.953 ( 2.724 0.733 -1.765) 3.327 36.337 ( -2.918 1.356 8.121) 8.736 36.507 ( -3.280 -1.336 3.899) 5.268 37.335 ( 3.106 -4.043 14.403) 15.279 37.908 ( 0.025 13.582 -16.506) 21.376 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.600 6.464 4.920) 9.335 2.332 ( -5.327 6.726 -7.251) 11.233 2.594 ( 0.971 1.252 -2.807) 3.224 2.656 ( 4.017 9.750 -1.563) 10.660 2.837 ( -9.946 -4.768 -6.064) 12.586 3.018 ( -5.994 -1.210 -5.581) 8.279 3.190 ( 6.324 -3.449 5.308) 8.948 3.316 ( 8.578 -6.543 5.930) 12.311 3.465 ( -0.608 -4.778 0.903) 4.901 3.595 ( -0.023 4.218 4.905) 6.469 3.698 ( 3.167 -2.595 -3.950) 5.689 3.836 ( -5.828 -12.034 -8.961) 16.096 3.929 ( 6.197 4.006 -0.514) 7.397 4.096 ( 4.154 -0.425 -0.813) 4.254 4.245 ( -5.841 -8.195 -2.046) 10.269 4.415 ( 7.754 -0.159 6.978) 10.433 4.769 ( 0.509 0.232 5.019) 5.050 4.895 ( -10.714 -2.058 -1.882) 11.071 4.975 ( 2.295 6.599 -5.985) 9.200 5.095 ( 2.117 -1.809 3.463) 4.444 5.496 ( 1.682 1.672 -1.827) 2.994 5.573 ( 2.136 3.318 -4.437) 5.937 5.740 ( -9.854 -1.259 -1.025) 9.987 5.879 ( -0.446 -2.575 5.354) 5.957 5.937 ( 1.194 0.144 8.471) 8.556 6.043 ( -5.439 -0.358 -5.900) 8.033 6.298 ( 4.127 1.860 -2.565) 5.203 6.396 ( 4.114 -4.214 2.228) 6.297 6.617 ( -4.464 2.539 3.699) 6.329 6.767 ( 3.699 3.004 -0.333) 4.777 7.859 ( -1.873 0.531 0.625) 2.045 7.983 ( 2.965 0.294 -1.953) 3.563 8.224 ( -7.005 1.265 0.662) 7.149 8.384 ( 3.327 1.129 -0.079) 3.514 8.961 ( -2.107 0.401 -2.866) 3.580 9.021 ( 3.187 6.119 1.868) 7.148 9.165 ( -1.121 -2.653 4.038) 4.960 9.325 ( 1.851 -0.879 -4.726) 5.151 9.438 ( 1.955 -2.725 0.505) 3.392 9.492 ( 2.085 0.438 -2.154) 3.029 9.778 ( -2.087 -1.122 2.338) 3.329 9.916 ( 5.450 3.049 5.133) 8.084 10.164 ( -7.419 -7.328 -6.204) 12.134 10.292 ( 3.904 -6.442 0.444) 7.546 10.417 ( -0.102 3.215 5.900) 6.720 10.523 ( -0.591 1.152 -5.424) 5.577 11.081 ( -4.247 2.107 5.990) 7.640 11.318 ( 2.478 4.174 -2.321) 5.380 11.438 ( -0.880 3.210 1.015) 3.479 11.464 ( -1.373 -0.985 -1.543) 2.288 11.759 ( -0.895 -6.222 -0.023) 6.286 11.826 ( 4.212 -7.069 -1.187) 8.313 12.253 ( -1.799 -1.840 -1.639) 3.051 12.328 ( 3.455 1.682 1.030) 3.979 12.417 ( -6.914 6.439 -3.892) 10.218 12.493 ( 5.500 10.212 1.995) 11.769 12.628 ( 0.955 -3.465 1.585) 3.928 12.688 ( 0.857 -8.328 0.093) 8.373 13.342 ( -3.947 2.770 2.672) 5.513 13.536 ( 4.388 2.125 -1.026) 4.982 13.795 ( -2.303 -7.208 0.942) 7.626 13.889 ( -1.854 -4.655 -5.137) 7.176 14.345 ( -6.741 2.357 2.100) 7.443 14.612 ( 5.273 6.254 -1.964) 8.413 15.267 ( -1.948 -2.326 4.659) 5.560 15.354 ( 0.875 3.478 0.176) 3.591 15.412 ( -3.932 -6.935 -3.652) 8.769 15.536 ( 5.507 -0.765 2.817) 6.233 16.116 ( -5.985 6.004 -0.331) 8.484 16.245 ( 1.438 -1.404 3.880) 4.370 16.419 ( -2.796 -5.964 -1.909) 6.858 16.642 ( 8.637 2.837 -4.094) 9.970 17.157 ( -2.897 1.652 -2.108) 3.945 17.248 ( 4.576 -0.918 1.084) 4.792 17.431 ( -5.439 1.684 -0.193) 5.697 17.545 ( 2.319 -0.008 2.261) 3.239 20.101 ( 0.090 8.001 -1.064) 8.072 20.190 ( 2.442 -0.313 -1.732) 3.010 20.458 ( -1.969 3.139 -0.890) 3.811 20.555 ( 2.674 -5.230 -0.751) 5.922 22.635 ( -3.215 -9.648 4.182) 10.995 22.721 ( -1.932 7.580 2.134) 8.108 22.929 ( 1.420 -5.622 -2.629) 6.366 22.987 ( 2.913 3.918 -1.784) 5.198 28.120 ( -1.154 -5.018 3.880) 6.447 28.202 ( -3.027 1.389 -3.633) 4.929 28.281 ( -4.426 15.697 -2.042) 16.436 28.562 ( 13.122 -9.449 -0.216) 16.171 31.026 ( -3.229 -3.943 2.040) 5.490 31.070 ( -3.301 7.185 3.058) 8.478 31.206 ( 0.158 -3.400 -1.643) 3.780 31.306 ( 3.079 1.932 -1.180) 3.822 31.504 ( -3.907 0.842 -0.432) 4.020 31.621 ( 0.559 2.398 5.303) 5.847 31.745 ( -5.061 -3.248 -6.155) 8.605 32.266 ( 16.575 -5.100 -12.621) 21.448 33.116 ( -2.174 2.041 1.460) 3.320 33.284 ( 4.320 0.770 -0.807) 4.462 33.398 ( -4.252 2.128 1.126) 4.887 33.569 ( 2.084 -4.585 -2.335) 5.551 35.458 ( -1.559 -0.002 1.631) 2.256 35.496 ( 0.225 0.003 -0.437) 0.491 35.783 ( -4.619 -1.731 5.450) 7.351 35.937 ( 1.547 1.987 -0.016) 2.519 36.310 ( -4.018 3.728 7.932) 9.641 36.513 ( -3.514 -0.086 2.894) 4.553 37.410 ( -4.682 4.316 -0.384) 6.379 37.782 ( 9.146 -7.611 -6.340) 13.482 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 13.457 0.000 -7.765) 15.537 1.738 ( -24.148 -0.000 -11.377) 26.694 2.029 ( -20.672 -0.000 -9.212) 22.632 2.282 ( 13.782 0.000 -22.849) 26.684 2.888 ( -6.853 -0.000 2.163) 7.186 3.086 ( -11.540 -0.000 -1.131) 11.595 3.150 ( -1.153 -0.000 -2.679) 2.916 3.248 ( 16.510 0.000 -12.636) 20.791 3.426 ( 3.769 0.000 -0.271) 3.778 3.634 ( 6.905 0.000 6.929) 9.782 3.676 ( 1.546 0.000 1.913) 2.460 3.681 ( 2.375 0.000 1.051) 2.597 3.903 ( 10.651 0.000 3.196) 11.120 4.102 ( -7.467 -0.000 -1.918) 7.710 4.324 ( 0.599 0.000 1.671) 1.775 4.528 ( -1.880 -0.000 6.203) 6.482 4.810 ( 2.724 0.000 18.180) 18.383 4.922 ( 2.979 0.000 2.420) 3.838 4.958 ( -0.782 -0.000 6.466) 6.514 5.090 ( 2.829 0.000 2.205) 3.586 5.346 ( 3.253 0.000 -2.420) 4.054 5.454 ( -11.308 -0.000 -3.279) 11.773 5.656 ( -12.483 -0.000 -11.832) 17.200 5.737 ( 2.447 0.000 -7.559) 7.946 5.926 ( -0.004 -0.000 4.188) 4.188 6.090 ( 7.438 0.000 10.366) 12.759 6.191 ( 0.215 0.000 -1.438) 1.454 6.384 ( -5.472 -0.000 -7.561) 9.334 6.940 ( -0.006 -0.000 -1.939) 1.939 7.000 ( 0.320 0.000 0.097) 0.335 7.890 ( -1.130 -0.000 4.476) 4.616 8.029 ( -6.621 -0.000 -3.637) 7.554 8.460 ( 4.074 0.000 0.993) 4.193 8.469 ( -0.893 -0.000 2.023) 2.211 8.940 ( -0.858 -0.000 -0.802) 1.175 8.969 ( 6.031 0.000 4.268) 7.389 9.240 ( -1.822 -0.000 -0.379) 1.861 9.322 ( 5.280 0.000 -7.273) 8.988 9.384 ( -2.961 -0.000 -7.656) 8.209 9.417 ( -6.101 -0.000 -2.391) 6.553 9.785 ( -3.946 -0.000 2.435) 4.636 9.927 ( 2.713 0.000 -3.149) 4.156 10.354 ( -0.862 -0.000 -0.036) 0.863 10.465 ( -10.878 -0.000 -3.176) 11.333 10.547 ( 9.207 0.000 4.614) 10.298 10.906 ( -0.445 -0.000 -8.337) 8.349 11.067 ( -9.082 -0.000 5.200) 10.465 11.186 ( 6.142 0.000 -0.344) 6.152 11.367 ( -3.340 -0.000 -2.170) 3.983 11.553 ( 0.474 0.000 -6.762) 6.778 11.848 ( -0.836 -0.000 -1.198) 1.461 12.068 ( -9.256 -0.000 -10.375) 13.904 12.361 ( 7.082 0.000 4.819) 8.566 12.370 ( 10.674 0.000 6.891) 12.705 12.472 ( 4.590 0.000 5.602) 7.243 12.700 ( 0.997 0.000 2.483) 2.676 12.861 ( 0.477 0.000 -0.560) 0.735 12.988 ( -4.011 -0.000 -4.536) 6.055 13.337 ( 0.692 0.000 0.816) 1.070 13.444 ( -6.919 -0.000 -4.188) 8.088 13.533 ( 1.532 0.000 2.838) 3.225 13.638 ( -1.549 -0.000 -4.014) 4.303 14.519 ( 2.272 0.000 0.682) 2.372 14.528 ( 2.432 0.000 1.825) 3.041 14.653 ( 18.605 0.000 16.423) 24.816 14.916 ( -1.787 -0.000 2.934) 3.435 15.014 ( -0.591 -0.000 -1.556) 1.665 15.194 ( 0.604 0.000 -4.610) 4.650 15.967 ( 3.714 0.000 2.801) 4.651 16.329 ( -6.086 -0.000 -8.492) 10.448 16.530 ( 0.901 0.000 0.049) 0.902 16.604 ( -1.075 -0.000 -1.971) 2.245 16.944 ( 1.460 0.000 1.406) 2.027 16.998 ( 0.729 0.000 -0.291) 0.785 17.242 ( 1.924 0.000 3.554) 4.041 17.487 ( -5.515 -0.000 -5.258) 7.620 19.971 ( 5.722 0.000 2.953) 6.439 20.141 ( -5.697 -0.000 -2.103) 6.072 20.975 ( -1.938 -0.000 1.597) 2.512 21.016 ( 1.596 0.000 0.414) 1.648 21.938 ( -3.769 -0.000 4.988) 6.252 22.244 ( 1.287 0.000 -6.142) 6.276 23.267 ( -3.329 -0.000 2.331) 4.064 23.423 ( 1.788 0.000 -4.104) 4.476 26.978 ( -0.058 -0.000 0.306) 0.311 26.980 ( 0.176 0.000 0.241) 0.298 29.446 ( 0.237 0.000 -0.246) 0.342 29.543 ( -2.528 -0.000 -5.282) 5.856 30.555 ( 12.368 0.000 21.637) 24.923 30.723 ( 2.676 0.000 2.469) 3.641 30.726 ( -1.394 -0.000 3.705) 3.959 31.379 ( 6.039 0.000 2.338) 6.476 31.461 ( -1.715 -0.000 1.962) 2.606 31.925 ( -2.470 -0.000 -10.167) 10.463 32.141 ( -2.667 -0.000 -1.944) 3.300 32.251 ( 0.104 0.000 -10.212) 10.213 32.635 ( 0.816 0.000 -1.616) 1.811 33.221 ( 12.218 0.000 -43.298) 44.989 33.561 ( -3.553 -0.000 5.517) 6.562 33.776 ( 5.733 0.000 -6.172) 8.424 35.331 ( -1.358 -0.000 2.573) 2.909 35.453 ( 1.353 0.000 -2.212) 2.593 35.639 ( -4.861 -0.000 2.676) 5.549 35.813 ( 4.801 0.000 -4.746) 6.750 36.351 ( 5.055 0.000 4.275) 6.620 36.388 ( -5.618 -0.000 4.701) 7.325 37.315 ( -5.537 -0.000 42.001) 42.364 38.651 ( -8.282 -0.000 -17.201) 19.091 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -18.287 -21.901 -0.044) 28.532 1.838 ( -20.658 -13.054 -6.526) 25.294 1.994 ( 9.277 -12.623 -6.097) 16.810 2.359 ( 10.580 -11.117 -14.823) 21.337 2.713 ( -20.379 1.941 -4.174) 20.893 3.003 ( -5.996 3.408 3.182) 7.595 3.077 ( 5.705 6.999 -4.819) 10.234 3.238 ( 7.966 4.823 -8.365) 12.518 3.433 ( 2.137 2.371 0.715) 3.271 3.554 ( 0.864 5.833 -2.583) 6.438 3.694 ( 5.428 0.491 0.289) 5.458 3.882 ( 6.832 -1.429 -5.702) 9.012 3.980 ( 0.455 -3.372 3.805) 5.105 4.038 ( 0.685 -0.109 -1.389) 1.553 4.372 ( 1.909 0.017 6.875) 7.135 4.511 ( -3.395 1.169 3.004) 4.681 4.902 ( -2.924 -1.161 7.870) 8.476 4.949 ( 0.426 1.674 13.540) 13.650 5.066 ( 3.592 -4.502 4.154) 7.101 5.146 ( 3.495 0.457 3.796) 5.181 5.388 ( -0.947 -6.078 -2.043) 6.481 5.451 ( 3.653 -2.707 4.336) 6.282 5.542 ( -9.324 -5.747 -12.318) 16.483 5.690 ( 1.711 2.144 -9.732) 10.111 5.905 ( 0.796 4.939 6.341) 8.077 6.136 ( 2.004 1.482 -2.998) 3.899 6.225 ( 2.444 -1.615 3.844) 4.833 6.327 ( -3.148 -2.038 -5.577) 6.720 6.871 ( -2.041 6.004 1.889) 6.617 6.963 ( -0.446 2.927 -1.043) 3.139 7.907 ( -0.133 1.596 4.992) 5.242 7.984 ( 0.518 0.256 -0.273) 0.639 8.428 ( -6.866 1.697 -2.053) 7.364 8.453 ( 5.342 4.355 1.842) 7.134 8.930 ( 0.538 -0.897 2.727) 2.920 9.094 ( 4.600 -5.434 -2.491) 7.543 9.181 ( -6.506 0.112 -3.728) 7.499 9.293 ( 1.955 1.690 -3.685) 4.501 9.367 ( -1.090 0.724 -1.618) 2.081 9.402 ( 2.356 -2.485 -2.708) 4.366 9.774 ( -6.469 -2.491 2.052) 7.230 9.964 ( 4.643 -2.320 -1.332) 5.359 10.276 ( -2.784 6.911 0.163) 7.452 10.344 ( -2.499 6.510 -2.082) 7.277 10.590 ( 3.767 3.627 5.671) 7.714 10.793 ( -0.865 5.314 -8.447) 10.017 11.086 ( -4.969 -4.303 6.684) 9.375 11.301 ( 5.411 -4.785 2.173) 7.543 11.353 ( -1.784 -3.461 -2.825) 4.811 11.508 ( 0.353 0.888 -8.158) 8.214 11.789 ( -3.644 5.152 -0.201) 6.314 11.906 ( -5.137 5.052 -9.319) 11.780 12.305 ( -3.095 6.913 5.215) 9.196 12.448 ( 7.793 2.998 2.150) 8.622 12.523 ( 5.004 4.063 7.693) 10.036 12.640 ( -4.010 4.386 -3.247) 6.772 12.832 ( 0.837 4.154 -0.497) 4.266 12.883 ( 1.174 3.521 -2.511) 4.481 13.408 ( -4.605 -2.452 0.204) 5.221 13.424 ( 5.140 -5.903 3.582) 8.608 13.559 ( -2.239 -0.772 -0.989) 2.567 13.630 ( 0.843 -0.316 -3.482) 3.596 14.520 ( 0.188 -1.077 -0.185) 1.109 14.559 ( 2.293 -0.572 -1.075) 2.597 14.925 ( -3.069 -5.848 6.803) 9.481 15.037 ( 2.319 -9.698 4.516) 10.947 15.136 ( 10.925 -9.399 1.216) 14.463 15.252 ( 1.460 -11.604 -3.520) 12.214 16.053 ( 1.228 -2.695 3.817) 4.831 16.161 ( -6.683 4.345 -8.222) 11.452 16.503 ( 2.693 4.401 1.243) 5.307 16.591 ( 2.984 -0.383 -2.375) 3.833 17.006 ( 0.161 -4.568 0.992) 4.677 17.049 ( 1.374 -4.584 -0.911) 4.872 17.331 ( 1.681 -4.753 3.757) 6.287 17.432 ( -5.068 -2.461 -4.993) 7.528 20.048 ( 4.307 -2.070 2.470) 5.379 20.069 ( -6.717 0.193 -2.654) 7.225 20.880 ( -2.393 8.579 2.211) 9.177 20.975 ( 1.816 6.339 -1.055) 6.678 22.015 ( -3.391 -7.721 6.174) 10.451 22.293 ( 2.211 -7.525 -6.269) 10.041 23.190 ( -3.597 6.495 3.773) 8.329 23.383 ( 2.721 3.933 -4.094) 6.295 27.097 ( -2.091 -13.014 0.625) 13.196 27.155 ( 4.371 -17.494 0.521) 18.040 29.315 ( 0.897 13.813 2.058) 13.994 29.403 ( -3.287 10.039 -5.359) 11.845 30.742 ( -0.024 -1.669 1.744) 2.414 30.777 ( 5.249 -3.330 3.215) 6.998 30.889 ( 5.722 -9.134 21.933) 24.438 31.468 ( 6.087 -2.902 2.155) 7.079 31.480 ( -2.032 -2.319 0.670) 3.155 31.752 ( -5.206 5.564 -15.059) 16.877 32.005 ( -0.118 10.811 -0.825) 10.843 32.191 ( -2.728 -1.568 -17.334) 17.617 32.764 ( -0.077 -11.581 -0.459) 11.590 33.069 ( 3.286 -2.265 -31.412) 31.665 33.546 ( -2.143 2.293 4.507) 5.492 33.764 ( 6.498 3.177 -5.223) 8.922 35.357 ( -1.399 -2.344 2.198) 3.505 35.445 ( 0.663 0.113 -1.549) 1.689 35.638 ( -4.672 -2.176 3.219) 6.076 35.875 ( 5.904 -4.234 -4.577) 8.587 36.357 ( -4.939 0.198 3.414) 6.007 36.425 ( 2.962 -1.529 3.148) 4.584 37.477 ( 0.372 7.533 42.667) 43.328 38.395 ( -5.737 9.434 -20.394) 23.191 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -23.710 -19.080 -6.720) 31.168 2.128 ( -6.973 -23.812 9.026) 26.403 2.356 ( 8.980 -17.883 2.153) 20.126 2.459 ( -25.366 -4.323 -4.797) 26.175 2.710 ( 4.844 -17.704 -8.431) 20.199 2.974 ( 5.185 4.662 -6.867) 9.786 2.982 ( 0.130 -3.548 5.538) 6.578 3.140 ( 4.924 3.993 -5.550) 8.426 3.406 ( -0.644 4.733 0.753) 4.836 3.460 ( -1.098 -0.885 -4.549) 4.763 3.691 ( 5.466 2.082 -4.000) 7.086 3.813 ( 4.606 6.432 -6.554) 10.274 3.955 ( -1.188 -0.178 -2.659) 2.918 4.174 ( 5.943 -2.492 -0.311) 6.452 4.303 ( -7.886 6.161 4.395) 10.930 4.565 ( 11.719 3.402 11.686) 16.896 4.919 ( -7.644 0.519 5.676) 9.535 4.934 ( -3.771 3.978 4.337) 6.990 5.076 ( 6.118 7.281 -0.702) 9.536 5.199 ( 7.575 0.974 3.150) 8.262 5.454 ( -6.107 -5.512 -6.452) 10.455 5.547 ( -2.095 -2.081 -6.959) 7.559 5.640 ( 0.540 -5.181 -3.222) 6.125 5.697 ( 9.422 -10.343 9.113) 16.697 5.872 ( -0.542 2.936 7.886) 8.432 6.073 ( -1.370 1.252 -9.656) 9.833 6.285 ( 0.110 -1.773 2.118) 2.764 6.332 ( 2.623 -0.649 -2.303) 3.550 6.752 ( -5.614 5.265 3.936) 8.644 6.896 ( 0.988 3.798 -0.788) 4.003 7.892 ( 0.002 1.728 3.286) 3.712 8.000 ( 2.133 0.445 -0.044) 2.179 8.293 ( -8.417 3.454 -3.466) 9.736 8.444 ( 5.536 3.019 3.191) 7.067 8.976 ( -2.457 -0.192 2.828) 3.752 9.119 ( -4.896 -1.220 -1.430) 5.245 9.180 ( 3.894 -1.697 -3.863) 5.742 9.267 ( -0.236 -1.229 -1.472) 1.932 9.370 ( 4.224 -0.614 -0.342) 4.282 9.449 ( 2.531 -1.366 -0.199) 2.883 9.806 ( -5.620 -4.805 1.145) 7.482 10.019 ( -0.315 0.646 -7.443) 7.477 10.132 ( 2.386 4.584 6.487) 8.294 10.185 ( 1.773 9.939 1.238) 10.171 10.548 ( -1.587 4.485 3.175) 5.720 10.660 ( 0.513 4.733 -4.958) 6.874 11.164 ( -1.540 -0.386 9.082) 9.220 11.361 ( -4.767 -3.775 -0.647) 6.115 11.437 ( 0.539 1.824 -8.547) 8.756 11.483 ( 1.249 -7.308 -1.372) 7.540 11.651 ( -3.691 4.611 -0.372) 5.918 11.732 ( 0.010 6.271 -0.661) 6.306 12.229 ( -4.830 -0.067 0.397) 4.847 12.423 ( 4.608 3.525 -1.428) 5.975 12.473 ( -2.744 3.693 2.123) 5.067 12.552 ( 1.479 2.825 -0.035) 3.188 12.765 ( 1.638 5.439 -0.014) 5.680 12.821 ( 3.151 4.661 -0.643) 5.662 13.430 ( -4.125 -0.007 4.488) 6.096 13.525 ( -3.570 -2.903 -3.476) 5.767 13.587 ( 3.716 -0.178 1.679) 4.081 13.657 ( 6.292 -6.293 -1.306) 8.995 14.467 ( -10.948 1.185 -5.369) 12.251 14.619 ( 1.828 -4.120 0.432) 4.528 15.028 ( -3.709 -7.009 2.290) 8.254 15.174 ( 4.213 -4.209 1.240) 6.083 15.389 ( 4.857 -7.761 2.731) 9.554 15.527 ( 8.301 -9.598 -1.752) 12.810 15.981 ( -7.210 0.554 -0.270) 7.236 16.157 ( -1.256 -4.077 -1.429) 4.499 16.436 ( 0.693 6.096 1.828) 6.402 16.672 ( 11.599 -3.051 -2.621) 12.277 17.077 ( -2.280 -4.590 -1.032) 5.228 17.154 ( 3.344 -4.468 -0.026) 5.581 17.414 ( -2.995 -3.127 -0.375) 4.346 17.472 ( 0.461 -4.896 0.316) 4.928 20.033 ( -5.599 -3.252 -1.299) 6.604 20.125 ( 2.044 -3.300 -1.312) 4.097 20.694 ( -2.265 10.711 2.567) 11.245 20.824 ( 2.332 10.686 -2.386) 11.195 22.204 ( -3.364 -11.716 6.489) 13.809 22.456 ( 3.313 -11.633 -5.763) 13.398 23.066 ( -2.433 7.426 6.133) 9.934 23.282 ( 3.505 7.278 -4.093) 9.055 27.373 ( -4.377 -19.456 0.462) 19.947 27.629 ( 13.748 -25.038 0.567) 28.570 29.033 ( -0.065 19.584 3.443) 19.885 29.086 ( -2.754 18.364 -5.342) 19.323 30.798 ( -0.869 -4.781 0.410) 4.876 30.909 ( 4.541 -6.542 -0.403) 7.974 31.176 ( -0.165 -5.690 16.808) 17.745 31.447 ( -11.858 -1.553 -11.104) 16.319 31.562 ( 1.880 0.460 -6.280) 6.571 31.613 ( 5.715 -0.046 4.068) 7.015 31.802 ( -0.660 10.912 3.145) 11.375 32.096 ( 0.598 -3.908 -22.468) 22.813 32.947 ( -4.088 -9.847 -3.721) 11.293 33.063 ( 0.219 -8.569 -6.921) 11.017 33.502 ( -1.205 3.562 3.463) 5.112 33.705 ( 6.392 5.854 -4.386) 9.714 35.404 ( -1.491 -2.644 1.419) 3.351 35.453 ( 0.098 -1.337 -0.700) 1.512 35.676 ( -4.714 -3.483 4.660) 7.488 35.956 ( 4.287 -2.007 -3.211) 5.720 36.353 ( -3.119 -1.072 3.483) 4.796 36.483 ( 0.380 -1.533 2.099) 2.627 37.528 ( 1.341 9.846 31.780) 33.298 38.047 ( -0.645 12.934 -19.991) 23.819 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -19.156 -19.023 -10.762) 29.062 2.198 ( -20.519 -4.853 -0.350) 21.088 2.570 ( -3.861 -8.848 7.307) 12.107 2.689 ( 3.552 -9.663 -1.923) 10.473 2.727 ( -1.253 6.294 -2.887) 7.037 3.055 ( 4.524 0.704 1.704) 4.885 3.162 ( 11.600 -16.555 -2.700) 20.394 3.271 ( -4.436 1.286 -3.329) 5.694 3.331 ( 1.238 -16.257 1.309) 16.357 3.543 ( 7.133 -4.709 1.351) 8.653 3.631 ( 2.090 4.480 -8.400) 9.746 3.767 ( 2.477 -2.389 -0.607) 3.495 3.984 ( 2.767 -3.109 1.368) 4.381 4.064 ( -7.377 6.633 1.465) 10.028 4.226 ( 1.747 7.537 1.373) 7.857 4.621 ( 9.272 6.544 4.987) 12.396 4.820 ( -2.759 3.201 3.085) 5.232 4.845 ( -0.746 4.758 1.010) 4.921 5.030 ( 3.751 1.965 -2.858) 5.109 5.204 ( 5.454 4.973 3.453) 8.149 5.468 ( 0.877 -2.344 -3.612) 4.395 5.531 ( -3.573 -2.033 -3.075) 5.134 5.686 ( -3.504 -0.449 -2.931) 4.590 5.878 ( -1.823 0.191 5.304) 5.612 5.965 ( 0.403 -2.637 5.080) 5.738 5.999 ( 2.464 -2.222 -3.110) 4.548 6.319 ( 1.922 -2.831 -3.767) 5.089 6.358 ( 2.860 -0.071 2.103) 3.551 6.645 ( -7.805 2.895 2.464) 8.682 6.848 ( 2.888 3.000 -0.834) 4.247 7.884 ( 1.516 1.909 2.135) 3.240 7.961 ( -5.055 0.484 -5.676) 7.616 8.195 ( -4.030 1.626 0.939) 4.446 8.455 ( 3.552 1.641 2.048) 4.416 8.923 ( -2.748 -0.220 -2.540) 3.748 9.105 ( -2.626 1.213 0.458) 2.929 9.215 ( 4.933 2.163 7.881) 9.546 9.294 ( 1.358 -1.272 -3.089) 3.606 9.438 ( 4.307 -1.080 1.495) 4.686 9.489 ( 2.069 -2.105 -0.893) 3.084 9.802 ( -4.747 1.421 0.151) 4.957 9.969 ( -0.079 -4.133 -4.206) 5.898 10.052 ( 2.807 6.769 0.562) 7.350 10.209 ( 1.806 -4.173 2.442) 5.161 10.460 ( -5.030 3.456 0.623) 6.135 10.568 ( 1.719 4.596 -1.484) 5.126 11.142 ( -5.099 4.140 6.926) 9.545 11.361 ( 1.804 1.792 -5.862) 6.390 11.389 ( -2.750 -3.307 1.511) 4.558 11.513 ( -3.734 2.845 3.315) 5.747 11.616 ( 0.029 -4.477 -4.646) 6.452 11.773 ( 4.398 -4.831 2.765) 7.094 12.203 ( -1.287 -0.343 -3.310) 3.568 12.411 ( -5.019 2.678 1.010) 5.778 12.432 ( 5.490 0.602 0.307) 5.531 12.542 ( -1.911 -3.090 -1.476) 3.922 12.652 ( 1.870 4.731 -2.169) 5.530 12.761 ( 6.428 8.244 3.554) 11.042 13.374 ( -3.649 2.684 2.887) 5.371 13.587 ( 1.099 -1.652 -0.084) 1.986 13.620 ( -0.349 -6.185 -2.401) 6.644 13.806 ( 3.337 -3.103 -0.495) 4.583 14.303 ( -12.432 1.718 -3.374) 12.996 14.682 ( 0.193 -1.313 -1.348) 1.891 15.132 ( -3.161 -7.856 -1.285) 8.566 15.334 ( 7.895 -5.277 5.337) 10.893 15.456 ( 1.016 4.426 -0.757) 4.604 15.596 ( 4.128 1.637 0.366) 4.456 16.057 ( -4.543 -8.452 2.870) 10.015 16.220 ( -4.821 -7.477 -2.166) 9.157 16.307 ( -0.633 7.754 0.200) 7.782 16.785 ( 14.169 1.211 -2.971) 14.528 17.121 ( -1.023 -1.978 -2.043) 3.022 17.243 ( 2.406 -3.245 0.371) 4.057 17.414 ( -4.129 0.111 -0.191) 4.135 17.548 ( 0.536 -2.392 1.236) 2.746 20.087 ( -3.990 -7.110 0.063) 8.153 20.163 ( 0.956 -0.465 -4.273) 4.403 20.543 ( -0.419 5.338 2.148) 5.769 20.627 ( 2.466 11.033 -2.531) 11.585 22.432 ( -3.144 -12.245 6.202) 14.081 22.667 ( 3.414 -11.358 -4.974) 12.861 22.951 ( -1.380 7.520 5.788) 9.590 23.139 ( 3.203 9.070 -3.553) 10.254 27.709 ( -4.809 -21.926 -0.179) 22.448 28.153 ( 14.981 -17.044 -1.064) 22.716 28.644 ( -2.891 20.153 -3.782) 20.708 28.734 ( 2.306 18.862 3.476) 19.318 30.906 ( -1.133 -7.443 0.408) 7.540 31.064 ( 3.165 -7.384 -1.594) 8.191 31.201 ( -5.978 5.176 1.855) 8.122 31.353 ( -7.334 -3.639 -6.501) 10.454 31.489 ( 0.666 6.292 -1.013) 6.408 31.624 ( -0.883 1.804 -7.533) 7.796 31.719 ( -2.992 1.572 11.848) 12.320 32.173 ( 12.112 -9.669 -11.833) 19.499 33.037 ( -4.882 -7.074 -1.060) 8.660 33.221 ( 0.135 -8.187 0.262) 8.192 33.444 ( -0.940 3.483 1.723) 3.998 33.614 ( 5.074 6.516 -3.268) 8.882 35.438 ( -1.725 -1.620 1.140) 2.626 35.479 ( -0.015 -1.594 -0.422) 1.649 35.734 ( -3.975 -3.316 5.803) 7.777 35.973 ( 1.208 0.710 -0.991) 1.716 36.365 ( -2.929 0.788 5.134) 5.963 36.502 ( -2.588 -0.320 2.852) 3.864 37.524 ( 0.392 7.783 11.330) 13.751 37.766 ( 4.654 5.662 -12.179) 14.214 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -27.504 -0.000 -4.323) 27.842 1.532 ( -28.071 -0.000 -0.571) 28.077 1.937 ( 16.808 0.000 -2.865) 17.050 2.303 ( 13.742 0.000 -11.483) 17.908 2.456 ( -38.280 -0.000 0.867) 38.290 3.101 ( -1.502 -0.000 7.139) 7.295 3.125 ( 3.827 0.000 -2.915) 4.810 3.278 ( 2.746 0.000 -9.501) 9.890 3.496 ( 3.195 0.000 1.987) 3.762 3.668 ( -0.202 -0.000 -0.696) 0.725 3.767 ( 9.656 0.000 -2.066) 9.875 3.788 ( 6.235 0.000 -3.453) 7.127 3.984 ( -2.303 -0.000 -3.120) 3.878 4.040 ( -1.798 -0.000 1.405) 2.282 4.446 ( -7.388 -0.000 -6.106) 9.585 4.499 ( 15.071 0.000 8.446) 17.276 4.873 ( -7.662 -0.000 8.534) 11.469 4.952 ( -6.153 -0.000 1.692) 6.382 5.102 ( 8.904 0.000 5.947) 10.707 5.194 ( 4.324 0.000 2.595) 5.043 5.266 ( -8.810 -0.000 -11.127) 14.193 5.433 ( 0.677 0.000 6.716) 6.750 5.570 ( 13.872 0.000 10.401) 17.338 5.669 ( 2.487 0.000 -10.799) 11.082 6.008 ( 0.994 0.000 7.884) 7.946 6.101 ( -5.483 -0.000 -10.839) 12.147 6.233 ( 1.647 0.000 5.071) 5.332 6.283 ( 2.532 0.000 -2.346) 3.452 6.931 ( -1.918 -0.000 2.062) 2.816 6.942 ( -5.756 -0.000 -2.911) 6.450 7.977 ( -0.181 -0.000 -0.217) 0.283 8.024 ( 9.364 0.000 9.524) 13.357 8.387 ( -6.339 -0.000 -0.587) 6.366 8.519 ( 1.738 0.000 0.984) 1.997 8.970 ( 3.155 0.000 1.229) 3.385 8.985 ( 1.272 0.000 -7.844) 7.947 9.128 ( -6.168 -0.000 -2.070) 6.506 9.263 ( -6.219 -0.000 -4.214) 7.512 9.401 ( 7.007 0.000 -1.414) 7.148 9.423 ( 5.447 0.000 3.404) 6.423 9.695 ( -8.734 -0.000 2.666) 9.132 9.955 ( 2.259 0.000 -3.510) 4.174 10.358 ( 1.578 0.000 4.397) 4.671 10.375 ( -0.859 -0.000 0.231) 0.890 10.698 ( 1.760 0.000 4.729) 5.046 10.782 ( -0.389 -0.000 -10.761) 10.768 11.027 ( -2.560 -0.000 5.600) 6.157 11.317 ( 9.090 0.000 1.992) 9.305 11.323 ( -2.099 -0.000 2.448) 3.224 11.478 ( 1.076 0.000 -8.675) 8.741 11.824 ( -9.269 -0.000 -5.046) 10.553 11.842 ( -2.739 -0.000 3.113) 4.147 12.357 ( -7.391 -0.000 -1.902) 7.631 12.515 ( 1.708 0.000 -1.969) 2.607 12.613 ( -5.939 -0.000 -6.343) 8.689 12.711 ( 9.347 0.000 12.806) 15.854 12.868 ( 2.217 0.000 -2.458) 3.310 12.916 ( 1.697 0.000 -1.710) 2.409 13.368 ( 1.079 0.000 -1.576) 1.910 13.414 ( 5.380 0.000 4.379) 6.937 13.575 ( 0.607 0.000 0.926) 1.107 13.588 ( -0.759 -0.000 -1.962) 2.104 14.537 ( 0.788 0.000 -1.608) 1.790 14.559 ( 2.317 0.000 -0.206) 2.326 14.889 ( -2.434 -0.000 6.820) 7.242 14.924 ( -8.104 -0.000 -10.303) 13.109 15.068 ( 8.204 0.000 4.023) 9.137 15.118 ( 1.033 0.000 -7.784) 7.852 16.061 ( -11.490 -0.000 -14.165) 18.239 16.119 ( 6.466 0.000 11.953) 13.590 16.572 ( 2.841 0.000 0.118) 2.843 16.590 ( 2.456 0.000 -2.018) 3.178 16.967 ( -0.607 -0.000 1.016) 1.183 16.988 ( 0.342 0.000 -2.190) 2.216 17.330 ( -5.645 -0.000 -5.397) 7.810 17.341 ( 2.678 0.000 6.818) 7.325 19.986 ( -9.025 -0.000 -3.743) 9.770 20.089 ( 3.827 0.000 4.700) 6.061 20.954 ( -2.646 -0.000 1.161) 2.889 21.043 ( 1.370 0.000 0.248) 1.393 21.966 ( -1.846 -0.000 8.101) 8.309 22.203 ( 2.487 0.000 -6.123) 6.609 23.251 ( -2.503 -0.000 3.316) 4.155 23.419 ( 3.010 0.000 -3.229) 4.414 26.978 ( -0.299 -0.000 0.142) 0.331 26.983 ( -0.054 -0.000 0.068) 0.087 29.449 ( -0.091 -0.000 1.228) 1.231 29.457 ( -2.438 -0.000 -2.398) 3.420 30.742 ( 0.790 0.000 0.780) 1.110 30.790 ( 3.520 0.000 -0.104) 3.522 30.978 ( 2.362 0.000 25.072) 25.183 31.479 ( 1.406 0.000 5.028) 5.221 31.480 ( 3.333 0.000 -14.432) 14.812 31.566 ( -9.669 -0.000 -26.446) 28.159 32.056 ( -5.511 -0.000 -1.510) 5.714 32.165 ( -0.879 -0.000 -3.578) 3.684 32.643 ( 0.185 0.000 1.573) 1.584 32.858 ( -1.487 -0.000 -29.982) 30.019 33.576 ( -1.408 -0.000 3.622) 3.886 33.819 ( 7.622 0.000 -5.207) 9.231 35.337 ( -1.644 -0.000 2.607) 3.082 35.442 ( 0.572 0.000 -2.414) 2.481 35.605 ( -3.353 -0.000 2.912) 4.441 35.855 ( 6.701 0.000 -3.891) 7.748 36.314 ( -7.009 -0.000 1.072) 7.091 36.467 ( 3.582 0.000 3.574) 5.060 37.868 ( 9.759 0.000 47.549) 48.540 38.316 ( -4.354 -0.000 -21.995) 22.422 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -24.327 -21.008 -5.288) 32.575 1.511 ( -20.589 -27.105 10.242) 35.546 2.130 ( -25.531 -6.909 6.415) 27.217 2.267 ( 7.260 -8.894 6.704) 13.295 2.433 ( 5.798 -8.720 -6.708) 12.436 3.011 ( -3.065 6.811 4.302) 8.619 3.099 ( -1.918 5.612 -1.591) 6.140 3.200 ( 1.022 4.308 -7.420) 8.641 3.495 ( -1.176 8.663 -2.635) 9.131 3.508 ( 2.168 2.728 1.957) 3.996 3.786 ( 8.487 2.962 -4.908) 10.242 3.879 ( 5.739 -1.796 -7.961) 9.977 3.928 ( -1.277 2.698 -0.944) 3.130 4.101 ( -0.305 -7.518 0.640) 7.552 4.338 ( -6.869 1.626 -3.369) 7.822 4.715 ( 16.954 -3.890 5.801) 18.336 4.843 ( -8.329 0.737 5.212) 9.853 5.021 ( -5.438 -4.213 4.213) 8.067 5.100 ( 0.298 -1.758 -8.496) 8.681 5.250 ( 2.811 -2.582 -6.373) 7.428 5.301 ( 5.931 -6.538 -0.207) 8.830 5.499 ( 7.691 3.533 10.431) 13.432 5.611 ( 2.686 1.341 -4.336) 5.274 5.744 ( 9.904 -1.605 10.237) 14.334 5.963 ( -3.547 2.707 -4.413) 6.276 6.032 ( -1.252 2.162 1.122) 2.738 6.277 ( 2.742 -0.325 1.707) 3.247 6.329 ( 3.028 -2.193 1.118) 3.903 6.804 ( -8.726 5.559 -0.733) 10.372 6.928 ( -2.121 0.642 -0.128) 2.220 7.951 ( -2.943 0.910 -1.341) 3.359 8.071 ( 5.096 7.124 4.927) 10.049 8.326 ( -0.073 3.917 1.516) 4.200 8.519 ( 0.936 1.516 0.690) 1.911 8.960 ( -5.868 1.481 -2.773) 6.657 9.042 ( 5.225 -6.036 4.669) 9.249 9.130 ( 1.568 -3.447 -1.932) 4.252 9.195 ( -5.930 -1.261 -3.613) 7.058 9.452 ( 8.200 0.478 -0.319) 8.220 9.464 ( 2.740 0.926 2.699) 3.956 9.690 ( -6.039 -3.375 3.823) 7.904 9.948 ( -2.469 -1.728 -6.578) 7.236 10.299 ( -1.090 8.786 2.573) 9.220 10.343 ( 1.733 3.731 0.858) 4.202 10.658 ( -2.806 5.985 4.785) 8.160 10.720 ( 5.055 3.082 -4.100) 7.201 11.136 ( 2.403 -6.981 6.058) 9.550 11.318 ( -2.212 1.481 3.553) 4.439 11.412 ( 0.576 0.026 -1.992) 2.074 11.438 ( 7.073 -1.266 -3.943) 8.196 11.695 ( -6.587 3.753 2.361) 7.940 11.811 ( -4.736 3.847 0.611) 6.132 12.222 ( -8.319 3.860 -1.096) 9.237 12.457 ( -1.433 2.551 -4.455) 5.330 12.498 ( -4.382 3.203 -5.110) 7.455 12.708 ( 2.655 9.595 4.835) 11.068 12.837 ( 1.426 3.333 -3.708) 5.186 12.919 ( 4.959 1.720 1.381) 5.428 13.372 ( -0.451 -2.013 1.456) 2.525 13.529 ( -1.615 3.093 0.760) 3.571 13.593 ( 6.600 -6.505 5.428) 10.739 13.607 ( 2.579 -1.911 -3.368) 4.653 14.395 ( -9.710 5.629 -7.372) 13.429 14.576 ( 0.823 -1.014 -0.749) 1.506 14.883 ( -5.635 -6.899 1.743) 9.077 15.110 ( 3.492 -5.257 1.120) 6.410 15.218 ( 4.292 -19.201 -6.754) 20.802 15.289 ( 7.035 -17.970 -5.425) 20.046 15.909 ( -10.364 -0.918 -8.291) 13.304 16.202 ( 4.556 3.937 8.864) 10.716 16.568 ( 3.846 4.489 0.680) 5.951 16.631 ( 6.049 -5.439 -3.964) 9.049 16.962 ( -2.551 -3.228 -2.205) 4.668 17.071 ( 1.744 -6.307 -1.212) 6.655 17.309 ( -3.806 -4.113 -2.509) 6.140 17.421 ( 1.149 -2.503 6.049) 6.647 19.915 ( -8.198 -2.306 -2.967) 9.018 20.122 ( 1.192 1.229 2.268) 2.842 20.860 ( -2.753 8.049 1.581) 8.653 20.990 ( 1.583 6.833 -1.191) 7.114 22.064 ( -1.254 -6.287 9.173) 11.192 22.268 ( 3.340 -8.064 -5.517) 10.325 23.200 ( -1.717 5.332 5.492) 7.845 23.394 ( 3.890 3.922 -3.350) 6.461 27.073 ( -1.461 -11.160 0.171) 11.256 27.254 ( 9.238 -25.862 -1.353) 27.495 29.305 ( -2.833 13.264 -2.145) 13.732 29.357 ( 0.008 11.159 2.636) 11.466 30.736 ( -1.312 -0.340 -3.614) 3.859 30.850 ( 3.842 -3.836 -1.453) 5.620 31.139 ( -7.061 -4.861 2.394) 8.901 31.167 ( -15.396 -3.862 -23.325) 28.214 31.544 ( 2.755 -1.606 4.496) 5.512 31.655 ( 6.834 -5.776 3.739) 9.698 31.957 ( -4.824 2.761 -5.939) 8.134 32.020 ( -1.665 11.259 -0.804) 11.410 32.725 ( -3.998 -7.737 -4.314) 9.719 32.834 ( -1.645 -11.278 -6.351) 13.047 33.566 ( -0.859 2.155 2.849) 3.674 33.819 ( 7.691 3.470 -4.934) 9.775 35.357 ( -1.644 -1.936 2.189) 3.353 35.433 ( 0.112 -0.318 -1.659) 1.693 35.619 ( -3.045 -2.151 3.952) 5.433 35.922 ( 5.818 -3.137 -4.043) 7.748 36.291 ( -4.536 -2.805 0.111) 5.334 36.497 ( 1.196 0.677 1.749) 2.224 38.030 ( 7.170 17.329 35.570) 40.211 38.120 ( 2.301 7.647 -16.279) 18.133 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -20.532 -20.384 -1.961) 28.998 1.879 ( -27.662 -13.365 8.792) 31.955 2.302 ( -5.026 -26.746 12.024) 29.752 2.557 ( 6.555 -5.494 2.106) 8.808 2.625 ( -3.289 -13.141 -2.198) 13.723 2.913 ( -5.178 -3.173 -7.248) 9.456 3.038 ( -5.905 -3.934 2.323) 7.466 3.105 ( 3.404 -0.968 2.305) 4.223 3.366 ( 7.512 5.671 -3.922) 10.197 3.562 ( 4.813 -1.694 3.453) 6.161 3.747 ( 3.144 5.071 -3.856) 7.105 3.819 ( 9.200 5.073 -2.174) 10.728 3.933 ( 0.239 -2.832 -3.438) 4.460 4.173 ( -3.688 3.398 2.359) 5.542 4.270 ( -1.530 -1.011 1.105) 2.141 4.772 ( -4.725 3.735 -0.957) 6.099 4.905 ( 12.303 -0.788 1.339) 12.401 4.931 ( 0.645 6.674 -4.057) 7.837 5.128 ( 3.697 3.053 -6.054) 7.722 5.284 ( 2.790 -3.148 -4.531) 6.182 5.400 ( 0.505 -3.533 -3.103) 4.729 5.539 ( 4.953 3.092 8.546) 10.350 5.639 ( 1.668 -0.460 2.903) 3.379 5.837 ( -4.098 -1.834 2.655) 5.216 5.909 ( -2.613 -1.380 -7.084) 7.675 6.046 ( 8.814 0.398 11.057) 14.145 6.305 ( 3.843 0.503 -1.225) 4.065 6.388 ( 3.207 -0.847 2.091) 3.921 6.625 ( -11.826 3.803 -1.675) 12.535 6.894 ( -0.227 1.528 -0.879) 1.777 7.877 ( -7.563 0.399 -5.466) 9.340 7.985 ( 2.796 5.760 2.570) 6.899 8.257 ( 0.197 5.842 2.667) 6.425 8.496 ( -1.258 0.779 -0.227) 1.497 8.891 ( -1.733 0.124 1.267) 2.150 9.114 ( -2.350 1.531 -0.144) 2.809 9.240 ( 0.038 -5.092 -1.878) 5.427 9.259 ( 5.826 -5.954 5.668) 10.076 9.467 ( -2.303 0.198 1.556) 2.786 9.501 ( 8.298 1.525 1.991) 8.669 9.731 ( -3.138 -2.244 0.291) 3.869 9.905 ( -2.604 -1.623 -5.523) 6.319 10.150 ( -3.781 4.792 -0.255) 6.110 10.291 ( 3.973 4.650 1.590) 6.319 10.520 ( -6.418 7.773 4.346) 10.977 10.677 ( 4.649 5.768 -0.541) 7.428 11.216 ( -4.411 4.967 4.082) 7.797 11.321 ( 1.998 -4.125 2.627) 5.283 11.390 ( 1.449 1.783 -0.656) 2.389 11.490 ( 2.060 -1.942 -2.133) 3.545 11.613 ( -5.743 3.996 4.599) 8.373 11.749 ( 1.438 -1.704 2.399) 3.275 12.156 ( -3.189 -1.985 -1.601) 4.083 12.400 ( -2.470 0.576 -4.943) 5.556 12.420 ( -2.027 1.320 2.621) 3.567 12.597 ( 1.987 3.557 -2.887) 4.994 12.733 ( 1.000 5.629 -4.152) 7.066 12.927 ( 5.077 3.529 1.220) 6.302 13.426 ( -4.196 0.893 5.191) 6.734 13.467 ( 0.899 -1.755 -1.820) 2.684 13.598 ( 0.324 -0.894 -4.157) 4.264 13.818 ( 9.026 -4.308 6.885) 12.142 14.198 ( -12.228 2.049 -6.250) 13.884 14.614 ( -1.043 -3.209 -0.682) 3.442 14.981 ( -2.748 -6.541 1.353) 7.223 15.291 ( 6.992 -8.727 2.687) 11.501 15.436 ( 0.844 -9.192 -2.968) 9.696 15.620 ( 8.861 -4.662 -7.728) 12.648 15.864 ( -7.374 -7.566 1.275) 10.641 16.166 ( -1.081 4.260 5.074) 6.713 16.469 ( 1.791 8.920 -0.272) 9.102 16.810 ( 13.207 -7.259 -7.693) 16.920 17.039 ( 1.251 -6.416 -3.716) 7.519 17.179 ( 1.174 -5.034 -1.487) 5.378 17.351 ( -3.579 -3.636 -0.321) 5.112 17.498 ( -0.974 -2.992 3.340) 4.588 19.922 ( -6.237 -6.153 -1.319) 8.860 20.110 ( -0.529 -1.128 -3.507) 3.721 20.688 ( -2.209 9.303 2.760) 9.952 20.832 ( 2.056 10.630 -2.297) 11.068 22.252 ( -1.540 -9.890 8.678) 13.247 22.452 ( 3.753 -11.897 -4.638) 13.309 23.114 ( -0.942 7.207 5.639) 9.199 23.300 ( 4.023 7.728 -3.680) 9.457 27.322 ( -2.499 -17.745 0.182) 17.921 27.877 ( 20.992 -27.825 -7.061) 35.563 28.947 ( -4.198 19.986 -4.709) 20.958 29.105 ( -1.287 17.937 4.514) 18.541 30.743 ( -4.819 -8.256 -5.915) 11.242 30.958 ( 3.646 -5.977 -1.903) 7.256 31.029 ( -9.576 -8.401 -15.054) 19.720 31.254 ( -4.650 -2.811 6.864) 8.755 31.604 ( 0.970 1.316 4.451) 4.742 31.691 ( 0.042 7.627 0.878) 7.678 31.816 ( -2.846 7.277 2.752) 8.284 31.996 ( 5.915 -11.084 -5.306) 13.638 32.830 ( -5.109 -9.954 -1.344) 11.269 33.032 ( -1.515 -11.930 0.617) 12.042 33.520 ( -0.856 3.821 2.338) 4.561 33.761 ( 6.991 6.346 -4.516) 10.466 35.395 ( -1.569 -2.277 1.453) 3.123 35.444 ( -0.071 -1.636 -0.669) 1.769 35.675 ( -3.182 -3.647 5.830) 7.578 35.967 ( 0.941 -0.905 -2.523) 2.841 36.349 ( 0.441 -4.001 0.293) 4.036 36.481 ( -2.127 0.337 -1.007) 2.377 37.869 ( -0.543 15.057 16.451) 22.308 37.883 ( 5.026 15.578 -6.234) 17.515 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -23.699 -0.000 10.175) 25.791 1.171 ( -26.906 -0.000 16.857) 31.750 1.911 ( -36.700 -0.000 22.790) 43.200 2.265 ( 14.627 0.000 6.209) 15.890 2.445 ( 13.232 0.000 -0.242) 13.234 3.004 ( -21.568 -0.000 -2.509) 21.714 3.115 ( -5.016 -0.000 4.443) 6.701 3.315 ( 15.298 0.000 -1.253) 15.349 3.562 ( 0.201 0.000 6.421) 6.424 3.615 ( -2.325 -0.000 -2.677) 3.546 3.791 ( 6.525 0.000 -13.149) 14.679 3.804 ( 2.243 0.000 -18.135) 18.273 3.948 ( -6.673 -0.000 -0.414) 6.685 4.001 ( 9.676 0.000 -1.411) 9.778 4.255 ( -6.318 -0.000 -3.646) 7.295 4.784 ( 7.933 0.000 -3.445) 8.649 4.858 ( -6.098 -0.000 9.685) 11.445 4.923 ( 2.479 0.000 0.524) 2.533 4.988 ( -5.164 -0.000 -7.464) 9.076 5.235 ( 6.937 0.000 -10.206) 12.341 5.309 ( 4.064 0.000 6.071) 7.305 5.661 ( 8.153 0.000 0.817) 8.194 5.691 ( 10.151 0.000 5.948) 11.765 5.819 ( 3.529 0.000 1.857) 3.988 5.921 ( -1.148 -0.000 0.520) 1.260 6.103 ( 2.826 0.000 6.514) 7.101 6.315 ( 6.387 0.000 -4.168) 7.627 6.353 ( 3.151 0.000 9.665) 10.166 6.791 ( -8.987 -0.000 -0.345) 8.994 6.907 ( -4.123 -0.000 1.827) 4.510 7.895 ( -7.554 -0.000 -3.594) 8.365 8.246 ( 4.334 0.000 1.145) 4.483 8.369 ( -0.172 -0.000 2.801) 2.806 8.552 ( 4.150 0.000 -5.245) 6.688 8.990 ( -0.113 -0.000 -3.705) 3.707 9.014 ( 2.511 0.000 13.784) 14.011 9.085 ( 3.989 0.000 -2.499) 4.707 9.147 ( -3.228 -0.000 1.810) 3.700 9.490 ( 3.944 0.000 -0.137) 3.946 9.527 ( 4.719 0.000 2.056) 5.147 9.657 ( -2.902 -0.000 7.321) 7.875 9.873 ( -3.378 -0.000 -4.242) 5.423 10.352 ( -7.889 -0.000 -8.345) 11.484 10.363 ( -1.327 -0.000 -1.426) 1.948 10.710 ( -5.395 -0.000 5.190) 7.486 10.860 ( 17.662 0.000 6.649) 18.872 11.096 ( 3.418 0.000 2.073) 3.998 11.366 ( -0.578 -0.000 8.889) 8.908 11.407 ( 0.273 0.000 -4.328) 4.336 11.481 ( 7.888 0.000 -1.742) 8.078 11.721 ( -1.317 -0.000 8.695) 8.794 11.805 ( -7.549 -0.000 3.582) 8.356 12.170 ( -9.503 -0.000 -4.985) 10.731 12.428 ( -2.674 -0.000 -6.846) 7.349 12.478 ( -1.372 -0.000 -4.559) 4.761 12.830 ( 1.454 0.000 -9.239) 9.352 12.957 ( 2.441 0.000 -0.592) 2.511 12.969 ( 2.855 0.000 7.087) 7.640 13.414 ( 5.555 0.000 -0.883) 5.625 13.489 ( -7.152 -0.000 -0.423) 7.164 13.573 ( 1.445 0.000 -1.566) 2.131 13.630 ( 7.953 0.000 5.592) 9.722 14.424 ( -20.683 -0.000 -23.475) 31.287 14.524 ( 0.760 0.000 -2.886) 2.984 14.583 ( 1.822 0.000 -1.973) 2.686 14.927 ( -1.847 -0.000 6.182) 6.452 15.112 ( -1.236 -0.000 -0.781) 1.463 15.115 ( 4.755 0.000 -2.490) 5.368 15.742 ( -12.459 -0.000 -5.675) 13.690 16.343 ( 3.239 0.000 6.798) 7.530 16.604 ( 1.202 0.000 2.560) 2.828 16.633 ( 4.416 0.000 -0.298) 4.426 16.955 ( -1.165 -0.000 0.458) 1.252 16.981 ( 2.818 0.000 -2.699) 3.903 17.227 ( -2.506 -0.000 -1.619) 2.984 17.447 ( -0.094 -0.000 7.154) 7.155 19.810 ( -8.206 -0.000 -2.969) 8.727 20.169 ( -0.044 -0.000 2.128) 2.129 20.925 ( -2.551 -0.000 0.973) 2.730 21.060 ( 1.285 0.000 -1.237) 1.784 22.070 ( 1.967 0.000 9.945) 10.138 22.189 ( 3.757 0.000 -4.798) 6.093 23.269 ( -1.528 -0.000 4.831) 5.067 23.436 ( 3.190 0.000 -2.759) 4.218 26.972 ( -0.442 -0.000 -0.088) 0.451 26.980 ( -0.164 -0.000 -0.144) 0.218 29.419 ( -1.456 -0.000 -0.430) 1.518 29.472 ( -0.417 -0.000 3.337) 3.363 30.597 ( -23.643 -0.000 -37.406) 44.252 30.759 ( 1.589 0.000 -1.176) 1.977 30.878 ( -0.595 -0.000 -6.015) 6.045 31.109 ( -7.552 -0.000 9.100) 11.826 31.595 ( 4.441 0.000 -1.816) 4.798 31.643 ( -0.062 -0.000 16.688) 16.688 31.953 ( -5.477 -0.000 -0.445) 5.495 32.126 ( -2.218 -0.000 -0.005) 2.218 32.599 ( -4.891 -0.000 -6.607) 8.220 32.672 ( -0.708 -0.000 4.017) 4.079 33.593 ( -0.828 -0.000 2.222) 2.372 33.883 ( 7.910 0.000 -5.172) 9.451 35.342 ( -1.550 -0.000 2.792) 3.193 35.421 ( 0.376 0.000 -2.257) 2.288 35.600 ( -2.345 -0.000 3.805) 4.470 35.917 ( 6.702 0.000 -4.252) 7.937 36.218 ( -5.331 -0.000 -0.548) 5.359 36.516 ( -0.432 -0.000 -0.124) 0.449 38.088 ( 5.738 0.000 -18.376) 19.251 38.559 ( 17.104 0.000 28.931) 33.609 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -15.681 -17.047 15.598) 27.925 1.365 ( -16.921 -27.554 16.827) 36.451 1.905 ( -23.661 -13.374 31.972) 41.963 2.466 ( 9.439 -2.937 -0.818) 9.919 2.577 ( 7.152 -2.927 1.879) 7.953 2.831 ( -19.880 -2.053 3.763) 20.337 2.966 ( -5.439 8.227 0.757) 9.891 3.244 ( 4.616 11.126 -5.485) 13.235 3.520 ( 12.208 4.040 0.332) 12.863 3.611 ( 3.551 0.021 6.267) 7.203 3.756 ( 2.529 -2.660 -10.926) 11.526 3.856 ( -0.419 -2.778 -3.554) 4.530 3.986 ( 6.542 3.314 -3.288) 8.037 4.088 ( 2.125 -12.034 -6.834) 14.001 4.205 ( -5.030 -0.120 1.457) 5.238 4.760 ( -1.856 1.864 -5.113) 5.750 4.894 ( -4.350 -2.701 2.837) 5.854 4.925 ( -0.986 -6.430 -11.908) 13.569 5.120 ( 7.473 -6.765 3.254) 10.593 5.164 ( 3.569 2.673 -13.316) 14.042 5.392 ( 2.709 -0.851 4.293) 5.147 5.660 ( 0.874 4.057 1.022) 4.274 5.744 ( 5.203 1.861 2.087) 5.907 5.808 ( -4.303 -1.920 -6.116) 7.720 5.950 ( 8.749 6.993 10.509) 15.359 6.187 ( 9.039 -0.451 8.195) 12.209 6.347 ( 5.460 0.248 -1.132) 5.581 6.422 ( 3.422 0.368 6.096) 7.001 6.638 ( -9.093 8.829 0.614) 12.688 6.893 ( -3.252 -0.218 0.822) 3.361 7.810 ( -6.264 0.689 -3.375) 7.149 8.145 ( -0.162 8.507 0.809) 8.547 8.376 ( -1.314 2.032 -0.962) 2.605 8.470 ( -4.450 3.967 -4.651) 7.561 8.949 ( 2.458 2.733 2.442) 4.413 9.111 ( -0.473 -5.540 0.774) 5.614 9.132 ( 0.411 2.153 2.948) 3.673 9.223 ( 4.891 -6.321 5.656) 9.791 9.481 ( -0.245 1.945 0.511) 2.026 9.595 ( 7.742 -0.236 2.535) 8.150 9.696 ( -1.674 -1.814 4.640) 5.255 9.846 ( -1.601 0.740 -1.544) 2.344 10.169 ( -10.198 3.794 -4.144) 11.643 10.332 ( -1.693 0.689 -2.896) 3.424 10.644 ( -6.137 5.824 6.413) 10.617 10.857 ( 6.218 9.750 -0.190) 11.566 11.264 ( 4.792 -6.014 0.017) 7.690 11.321 ( -0.329 4.519 1.496) 4.771 11.420 ( -1.469 0.534 4.606) 4.864 11.493 ( 2.590 0.703 -2.122) 3.422 11.690 ( -7.567 6.604 1.445) 10.147 11.793 ( 6.217 2.300 13.215) 14.784 12.087 ( -4.981 -0.325 -1.434) 5.194 12.411 ( 0.320 3.880 -4.983) 6.323 12.431 ( 2.953 -2.947 2.526) 4.877 12.643 ( -9.177 9.883 -5.504) 14.567 12.797 ( 0.686 3.013 -5.737) 6.516 12.972 ( 0.956 -0.089 -2.679) 2.845 13.409 ( -0.460 0.419 4.267) 4.312 13.498 ( -0.608 0.271 -2.384) 2.475 13.572 ( 0.967 0.608 -0.748) 1.365 13.795 ( 3.985 -7.646 3.943) 9.480 14.203 ( 0.912 5.861 0.204) 5.935 14.577 ( 0.605 -0.131 -1.127) 1.286 14.838 ( -1.509 -11.753 1.459) 11.939 15.197 ( 7.217 -8.589 0.870) 11.253 15.199 ( -0.288 -11.773 -3.395) 12.256 15.319 ( 12.637 -31.458 -13.237) 36.393 15.690 ( -9.510 -5.450 -1.273) 11.035 16.303 ( -2.169 5.457 1.992) 6.201 16.605 ( 2.080 3.772 -1.988) 4.744 16.695 ( 5.975 -4.284 -0.958) 7.414 16.939 ( 2.233 -2.447 -0.557) 3.359 17.077 ( 1.364 -5.829 -1.495) 6.171 17.255 ( -1.545 -4.229 0.234) 4.509 17.483 ( -2.308 -0.826 5.644) 6.154 19.772 ( -6.152 -3.796 -1.987) 7.497 20.108 ( -3.678 3.794 -2.240) 5.739 20.838 ( -2.392 7.327 1.835) 7.922 20.991 ( 0.931 6.889 -2.216) 7.296 22.174 ( 1.307 -4.131 8.667) 9.689 22.274 ( 4.173 -8.161 -3.714) 9.890 23.237 ( -2.180 4.470 4.484) 6.696 23.415 ( 3.596 3.745 -3.740) 6.399 27.059 ( -0.635 -10.129 0.193) 10.151 27.372 ( 11.687 -35.404 -11.430) 38.996 29.220 ( -4.756 16.234 -2.995) 17.179 29.387 ( -1.169 11.426 4.394) 12.297 30.437 ( -6.062 -12.017 -7.061) 15.199 30.823 ( 1.880 -5.698 -3.677) 7.037 30.893 ( 2.064 -2.897 -2.371) 4.275 31.155 ( -6.733 -6.597 5.648) 10.989 31.617 ( -0.854 -1.392 2.636) 3.101 31.784 ( -3.342 -5.876 0.475) 6.777 31.843 ( 0.969 6.645 3.001) 7.355 32.013 ( -2.733 8.341 3.613) 9.492 32.625 ( -3.584 -7.961 0.742) 8.761 32.812 ( -1.661 -11.125 2.677) 11.563 33.578 ( -1.148 2.085 2.017) 3.119 33.880 ( 7.328 3.640 -5.315) 9.757 35.360 ( -1.356 -1.409 2.430) 3.119 35.418 ( 0.462 -0.704 -1.340) 1.582 35.628 ( -2.660 -2.457 5.103) 6.257 35.947 ( 3.022 -0.537 -3.881) 4.948 36.238 ( -0.834 -6.226 -2.028) 6.601 36.478 ( -2.890 1.823 -2.794) 4.414 38.006 ( 11.001 6.119 -13.477) 18.441 38.472 ( -1.081 28.347 18.650) 33.950 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -4.032 -0.000 25.622) 25.937 1.170 ( -11.226 -0.000 33.063) 34.917 1.830 ( -19.104 -0.000 41.277) 45.484 2.558 ( -12.956 -0.000 -8.718) 15.616 2.575 ( 10.925 0.000 8.834) 14.050 2.730 ( 4.188 0.000 11.458) 12.200 3.052 ( -6.359 -0.000 0.482) 6.378 3.474 ( 2.533 0.000 -1.717) 3.060 3.501 ( -4.112 -0.000 -25.141) 25.475 3.675 ( 2.557 0.000 8.980) 9.337 3.676 ( 2.344 0.000 -14.140) 14.333 3.718 ( 16.957 0.000 -0.135) 16.958 3.881 ( -3.049 -0.000 2.514) 3.952 4.098 ( 3.553 0.000 -1.609) 3.901 4.232 ( 1.689 0.000 3.601) 3.977 4.678 ( -7.109 -0.000 -11.542) 13.556 4.761 ( 1.517 0.000 -10.180) 10.293 4.919 ( -2.010 -0.000 11.051) 11.232 5.110 ( -0.702 -0.000 -17.586) 17.600 5.134 ( 5.815 0.000 0.978) 5.896 5.454 ( 2.833 0.000 7.394) 7.919 5.672 ( -3.750 -0.000 2.965) 4.781 5.692 ( -7.524 -0.000 -11.192) 13.486 5.834 ( 6.774 0.000 4.274) 8.010 6.182 ( 12.295 0.000 8.580) 14.992 6.240 ( 1.466 0.000 4.718) 4.941 6.390 ( 7.609 0.000 -2.754) 8.092 6.506 ( 4.601 0.000 4.698) 6.576 6.752 ( 0.467 0.000 5.602) 5.621 6.848 ( -5.749 -0.000 0.772) 5.801 7.768 ( -2.274 -0.000 -0.439) 2.316 8.207 ( -4.552 -0.000 -4.947) 6.723 8.318 ( -6.193 -0.000 -2.861) 6.822 8.465 ( -6.833 -0.000 -4.802) 8.352 8.993 ( 5.155 0.000 -0.185) 5.158 9.081 ( 1.719 0.000 0.314) 1.747 9.172 ( -1.743 -0.000 5.948) 6.199 9.233 ( 2.756 0.000 3.511) 4.463 9.534 ( 2.065 0.000 2.079) 2.930 9.628 ( 6.394 0.000 -0.122) 6.395 9.707 ( -1.337 -0.000 3.773) 4.003 9.884 ( 3.677 0.000 2.206) 4.288 10.085 ( -10.690 -0.000 -5.549) 12.044 10.298 ( -3.020 -0.000 -3.005) 4.261 10.682 ( -6.885 -0.000 6.563) 9.512 11.008 ( -3.567 -0.000 -9.155) 9.825 11.146 ( 2.913 0.000 -1.144) 3.130 11.385 ( -0.194 -0.000 -0.084) 0.212 11.472 ( -2.964 -0.000 11.242) 11.626 11.489 ( 2.142 0.000 -6.931) 7.254 11.681 ( -8.270 -0.000 -1.342) 8.379 11.941 ( -2.166 -0.000 -0.505) 2.224 12.215 ( 22.347 0.000 16.985) 28.070 12.404 ( 5.596 0.000 0.510) 5.619 12.458 ( 1.847 0.000 -1.155) 2.178 12.619 ( -13.070 -0.000 -9.671) 16.258 12.822 ( -4.269 -0.000 -7.494) 8.625 12.949 ( -0.958 -0.000 -2.815) 2.974 13.438 ( -2.084 -0.000 5.888) 6.246 13.480 ( 4.049 0.000 -1.740) 4.407 13.597 ( 3.189 0.000 -0.937) 3.324 13.711 ( -3.294 -0.000 -1.089) 3.469 14.464 ( 30.270 0.000 15.268) 33.902 14.498 ( 0.643 0.000 -3.393) 3.454 14.579 ( 1.310 0.000 -2.724) 3.022 14.965 ( -2.082 -0.000 5.402) 5.789 15.098 ( 0.349 0.000 1.531) 1.570 15.183 ( 5.991 0.000 -0.175) 5.994 15.574 ( -5.126 -0.000 0.455) 5.146 16.279 ( -10.654 -0.000 -4.461) 11.551 16.699 ( 2.922 0.000 4.660) 5.500 16.706 ( 3.607 0.000 1.742) 4.005 16.962 ( 0.816 0.000 1.114) 1.381 17.014 ( 4.043 0.000 -1.518) 4.319 17.210 ( 1.038 0.000 1.019) 1.455 17.478 ( -4.564 -0.000 4.386) 6.329 19.688 ( -3.815 -0.000 -1.327) 4.039 20.093 ( -7.126 -0.000 -5.436) 8.963 20.903 ( -1.675 -0.000 1.126) 2.018 21.045 ( -0.215 -0.000 -2.946) 2.954 22.194 ( 1.355 0.000 3.811) 4.045 22.209 ( 4.507 0.000 -3.044) 5.439 23.281 ( -3.453 -0.000 3.549) 4.952 23.447 ( 2.423 0.000 -3.078) 3.918 26.966 ( -0.196 -0.000 -0.046) 0.202 26.975 ( -0.154 -0.000 -0.270) 0.311 29.354 ( -2.714 -0.000 0.246) 2.725 29.502 ( -1.222 -0.000 3.592) 3.795 30.406 ( 27.819 0.000 11.592) 30.137 30.761 ( 0.816 0.000 -1.861) 2.032 30.863 ( 1.160 0.000 -2.937) 3.158 31.043 ( -9.561 -0.000 4.265) 10.469 31.592 ( 1.163 0.000 -5.817) 5.932 31.704 ( -12.951 -0.000 10.238) 16.509 31.937 ( 1.252 0.000 3.967) 4.160 32.092 ( -2.403 -0.000 0.566) 2.469 32.543 ( -1.452 -0.000 4.167) 4.412 32.708 ( -0.821 -0.000 4.318) 4.395 33.597 ( -1.778 -0.000 2.043) 2.708 33.936 ( 6.848 0.000 -6.177) 9.222 35.353 ( -1.313 -0.000 3.008) 3.282 35.411 ( 1.206 0.000 -1.494) 1.920 35.612 ( -2.644 -0.000 4.942) 5.605 35.953 ( 4.758 0.000 -5.484) 7.261 36.146 ( -3.015 -0.000 -0.639) 3.082 36.448 ( -3.941 -0.000 -5.037) 6.395 38.103 ( 16.025 0.000 -9.221) 18.489 38.785 ( -11.228 -0.000 -1.989) 11.403 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -12.209 -0.000 -8.312) 14.770 1.791 ( 12.209 0.000 8.312) 14.770 2.147 ( 0.217 0.000 -2.827) 2.835 2.147 ( -0.217 -0.000 2.827) 2.835 2.863 ( -1.923 -0.000 -10.093) 10.274 2.863 ( 1.923 0.000 10.093) 10.274 3.200 ( 3.897 0.000 -8.340) 9.206 3.200 ( -3.897 -0.000 8.340) 9.206 3.301 ( -1.344 -0.000 -15.381) 15.439 3.301 ( 1.344 0.000 15.381) 15.439 3.797 ( 2.635 0.000 -1.432) 2.999 3.797 ( -2.635 -0.000 1.432) 2.999 4.122 ( -2.615 -0.000 0.681) 2.703 4.122 ( 2.615 0.000 -0.681) 2.703 4.487 ( 5.152 0.000 -7.757) 9.312 4.487 ( -5.152 -0.000 7.757) 9.312 4.724 ( -9.592 -0.000 -11.423) 14.916 4.724 ( 9.592 0.000 11.423) 14.916 4.978 ( -1.671 -0.000 -3.193) 3.604 4.978 ( 1.671 0.000 3.193) 3.604 5.442 ( -8.132 -0.000 -1.669) 8.302 5.442 ( 8.132 0.000 1.669) 8.302 5.961 ( -0.905 -0.000 -0.727) 1.161 5.961 ( 0.905 0.000 0.727) 1.161 6.368 ( 6.965 0.000 -4.711) 8.409 6.368 ( -6.965 -0.000 4.711) 8.409 6.483 ( -4.495 -0.000 -9.049) 10.104 6.483 ( 4.495 0.000 9.049) 10.104 6.738 ( -5.134 -0.000 0.749) 5.188 6.738 ( 5.134 0.000 -0.749) 5.188 7.928 ( -5.831 -0.000 -2.896) 6.511 7.928 ( 5.831 0.000 2.896) 6.511 8.258 ( -3.657 -0.000 -3.828) 5.295 8.258 ( 3.657 0.000 3.828) 5.295 9.190 ( -3.272 -0.000 -3.916) 5.103 9.190 ( 3.272 0.000 3.916) 5.103 9.246 ( -6.983 -0.000 0.443) 6.997 9.246 ( 6.983 0.000 -0.443) 6.997 9.658 ( -4.090 -0.000 0.290) 4.100 9.658 ( 4.090 0.000 -0.290) 4.100 9.689 ( -14.636 -0.000 -1.871) 14.755 9.689 ( 14.636 0.000 1.871) 14.755 10.137 ( -8.834 -0.000 -3.578) 9.531 10.137 ( 8.834 0.000 3.578) 9.531 10.758 ( 6.389 0.000 -4.801) 7.992 10.758 ( -6.389 -0.000 4.801) 7.992 11.220 ( -5.169 -0.000 -3.688) 6.350 11.220 ( 5.169 0.000 3.688) 6.350 11.428 ( -8.885 -0.000 1.128) 8.956 11.428 ( 8.885 0.000 -1.128) 8.956 11.813 ( -2.668 -0.000 -4.588) 5.308 11.813 ( 2.668 0.000 4.588) 5.308 12.537 ( -2.939 -0.000 -1.893) 3.496 12.537 ( 2.939 0.000 1.893) 3.496 12.576 ( 2.291 0.000 -1.808) 2.919 12.576 ( -2.291 -0.000 1.808) 2.919 12.795 ( -0.999 -0.000 -4.234) 4.350 12.795 ( 0.999 0.000 4.234) 4.350 13.457 ( -2.010 -0.000 0.486) 2.068 13.457 ( 2.010 0.000 -0.486) 2.068 13.638 ( -3.322 -0.000 0.734) 3.402 13.638 ( 3.322 0.000 -0.734) 3.402 14.473 ( -0.593 -0.000 -2.129) 2.210 14.473 ( 0.593 0.000 2.129) 2.210 15.009 ( -4.242 -0.000 -0.552) 4.277 15.009 ( 4.242 0.000 0.552) 4.277 15.236 ( -0.508 -0.000 -3.251) 3.291 15.236 ( 0.508 0.000 3.251) 3.291 15.820 ( -21.758 -0.000 -6.097) 22.596 15.820 ( 21.758 0.000 6.097) 22.596 16.771 ( 0.806 0.000 -0.321) 0.867 16.771 ( -0.806 -0.000 0.321) 0.867 17.021 ( 0.925 0.000 -1.646) 1.888 17.021 ( -0.925 -0.000 1.646) 1.888 17.382 ( -7.835 -0.000 -3.146) 8.443 17.382 ( 7.835 0.000 3.146) 8.443 19.750 ( -5.591 -0.000 -5.119) 7.581 19.750 ( 5.591 0.000 5.119) 7.581 20.946 ( 0.142 0.000 -2.468) 2.473 20.946 ( -0.142 -0.000 2.468) 2.473 22.214 ( 5.195 0.000 -1.749) 5.481 22.214 ( -5.195 -0.000 1.749) 5.481 23.359 ( 2.350 0.000 -4.138) 4.759 23.359 ( -2.350 -0.000 4.138) 4.759 26.966 ( -0.002 -0.000 -0.151) 0.151 26.966 ( 0.002 0.000 0.151) 0.151 29.489 ( -4.397 -0.000 -2.465) 5.040 29.489 ( 4.397 0.000 2.465) 5.040 30.769 ( -0.338 -0.000 -2.202) 2.228 30.769 ( 0.338 0.000 2.202) 2.228 31.028 ( 18.682 0.000 -6.805) 19.883 31.028 ( -18.682 -0.000 6.805) 19.883 31.601 ( -20.657 -0.000 1.502) 20.712 31.601 ( 20.657 0.000 -1.502) 20.712 32.066 ( -0.316 -0.000 -1.421) 1.456 32.066 ( 0.316 0.000 1.421) 1.456 32.730 ( -2.483 -0.000 -3.015) 3.906 32.730 ( 2.483 0.000 3.015) 3.906 33.739 ( 4.833 0.000 -9.775) 10.904 33.739 ( -4.833 -0.000 9.775) 10.904 35.409 ( 1.965 0.000 -1.250) 2.328 35.409 ( -1.965 -0.000 1.250) 2.328 35.783 ( 2.558 0.000 -7.458) 7.885 35.783 ( -2.558 -0.000 7.458) 7.885 36.182 ( -0.893 -0.000 -5.182) 5.259 36.182 ( 0.893 0.000 5.182) 5.259 38.322 ( -28.731 -0.000 0.423) 28.735 38.322 ( 28.731 0.000 -0.423) 28.735 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -1.744 -6.448 -18.933) 20.077 1.896 ( 11.670 -2.623 -5.389) 13.119 2.131 ( 3.212 4.294 -0.096) 5.363 2.267 ( 5.696 0.443 13.013) 14.212 2.786 ( -1.525 -3.449 -6.491) 7.507 2.819 ( -2.944 -2.552 -3.008) 4.922 3.192 ( 8.514 -0.679 -18.125) 20.037 3.276 ( -3.880 -3.644 6.339) 8.277 3.477 ( -1.657 -9.776 6.729) 11.983 3.513 ( 1.214 -15.909 6.484) 17.223 3.744 ( -5.576 1.276 0.669) 5.760 3.782 ( -3.259 -0.426 2.034) 3.865 4.055 ( -4.516 3.567 -1.493) 5.946 4.081 ( -2.590 3.874 -3.531) 5.846 4.419 ( 1.369 2.497 -7.851) 8.351 4.511 ( -0.141 -0.010 8.768) 8.769 4.681 ( -5.066 -7.681 -9.578) 13.282 4.818 ( -0.153 0.210 0.721) 0.767 4.986 ( 4.247 1.292 3.098) 5.413 5.056 ( 7.174 -3.653 11.218) 13.808 5.354 ( -5.850 2.430 1.650) 6.546 5.463 ( 5.944 4.560 0.616) 7.517 5.978 ( -2.514 -3.850 -3.205) 5.605 5.991 ( -2.756 -3.198 -1.318) 4.423 6.186 ( -12.801 8.243 -1.984) 15.354 6.364 ( 4.005 3.193 0.086) 5.122 6.407 ( -1.605 2.080 -7.028) 7.503 6.507 ( 2.621 9.068 7.754) 12.215 6.645 ( -3.954 3.047 -2.521) 5.592 6.777 ( 6.935 2.365 3.869) 8.286 7.876 ( -5.635 -0.776 -3.266) 6.559 7.996 ( 6.888 0.500 3.303) 7.655 8.218 ( 0.094 0.920 -0.990) 1.355 8.299 ( 4.972 1.849 2.691) 5.948 9.071 ( -6.249 5.449 -3.799) 9.120 9.134 ( -3.280 5.395 1.199) 6.426 9.226 ( 0.910 -1.827 0.721) 2.165 9.304 ( 8.562 -0.346 -0.650) 8.594 9.589 ( -11.039 -1.059 -1.679) 11.216 9.653 ( -0.942 0.475 1.981) 2.244 9.719 ( 4.248 -2.360 -0.324) 4.870 9.845 ( 10.939 -0.186 1.244) 11.011 10.073 ( -8.793 -3.989 -3.268) 10.194 10.239 ( 5.617 -3.204 1.629) 6.669 10.711 ( -1.919 4.644 4.827) 6.968 10.743 ( 7.442 4.965 -4.386) 9.963 11.172 ( -4.532 -0.113 0.906) 4.623 11.284 ( 6.010 -0.158 3.490) 6.952 11.349 ( -4.189 2.740 1.640) 5.267 11.454 ( 10.645 4.457 -0.771) 11.566 11.790 ( -3.262 -2.660 -5.133) 6.638 11.882 ( 3.236 -2.364 2.718) 4.842 12.380 ( -3.950 8.408 -2.505) 9.621 12.423 ( -0.943 9.206 -2.830) 9.677 12.514 ( -3.573 5.144 -2.255) 6.656 12.584 ( 1.503 3.505 3.056) 4.887 12.781 ( -4.262 -3.262 -4.392) 6.935 12.845 ( 0.425 -1.704 2.752) 3.265 13.415 ( -4.552 2.214 3.764) 6.308 13.461 ( 5.056 1.935 -2.069) 5.796 13.664 ( -3.481 -3.863 -2.255) 5.668 13.733 ( 2.350 -8.121 1.822) 8.648 14.473 ( -3.757 0.987 -1.621) 4.209 14.523 ( 1.648 -1.837 0.990) 2.659 14.992 ( -4.019 -5.401 -4.667) 8.192 15.074 ( 0.984 -6.090 4.286) 7.512 15.300 ( -5.931 -9.925 -1.258) 11.631 15.363 ( -1.962 -11.230 -0.740) 11.424 15.710 ( -12.732 -7.314 -3.530) 15.102 16.039 ( 17.787 -2.424 4.385) 18.479 16.682 ( -2.507 6.415 -2.061) 7.189 16.721 ( -0.328 5.832 1.393) 6.005 17.009 ( -2.890 -1.014 -0.940) 3.203 17.046 ( 0.901 -2.469 0.804) 2.749 17.354 ( -5.455 -4.020 -3.034) 7.424 17.480 ( 6.232 -2.048 1.844) 6.814 19.728 ( -0.438 -3.392 -3.146) 4.647 19.837 ( 6.882 -0.261 5.492) 8.809 20.885 ( 0.919 5.394 -2.314) 5.941 20.905 ( -0.289 5.875 2.739) 6.489 22.253 ( -5.611 -7.486 1.919) 9.551 22.309 ( 3.756 -7.053 -1.804) 8.192 23.309 ( 3.245 5.072 -3.932) 7.191 23.316 ( -2.101 5.234 4.279) 7.079 27.084 ( -0.370 -12.716 -2.044) 12.885 27.126 ( 0.436 -16.638 4.194) 17.164 29.294 ( -5.619 14.645 -3.511) 16.074 29.418 ( 6.205 12.333 0.931) 13.838 30.774 ( -2.987 -2.987 -2.432) 4.874 30.808 ( -1.088 -2.756 2.279) 3.738 30.954 ( -23.156 -8.645 -0.128) 24.718 31.179 ( 7.113 -8.478 -2.051) 11.255 31.507 ( -7.969 -1.129 1.614) 8.208 31.735 ( 18.594 3.485 -4.350) 19.412 31.988 ( -3.551 5.876 -0.690) 6.900 32.086 ( 11.321 0.509 -3.704) 11.923 32.754 ( -1.565 -6.319 -4.418) 7.867 32.833 ( 4.218 -6.698 1.170) 8.001 33.700 ( 3.622 2.149 -8.417) 9.411 33.732 ( -5.259 2.391 9.011) 10.704 35.406 ( -1.835 -0.808 0.278) 2.024 35.422 ( 1.229 -0.926 -1.151) 1.922 35.795 ( 2.920 -3.397 -6.896) 8.223 35.828 ( -2.817 -2.366 6.506) 7.474 36.178 ( -0.513 -2.684 -1.039) 2.924 36.233 ( 2.011 -0.866 5.380) 5.809 38.027 ( -27.904 8.763 5.264) 29.717 38.409 ( 24.147 13.465 -0.887) 27.662 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.614 -13.662 -16.424) 21.856 2.014 ( 8.960 -2.675 3.515) 9.989 2.094 ( 5.292 -2.910 -9.770) 11.486 2.410 ( 9.980 -4.293 10.345) 15.002 2.829 ( -1.530 -5.884 -11.498) 13.006 2.920 ( -2.042 -10.832 -4.081) 11.754 3.169 ( -3.951 -0.455 -7.047) 8.092 3.416 ( 4.127 -12.800 -7.097) 15.206 3.486 ( -1.913 3.178 1.729) 4.093 3.585 ( -11.486 5.905 2.460) 13.147 3.736 ( 1.281 -1.383 7.867) 8.089 3.853 ( -1.708 1.773 0.726) 2.567 3.927 ( -6.166 2.859 -4.501) 8.152 4.134 ( 3.048 -12.326 5.581) 13.870 4.364 ( 0.855 1.856 -6.525) 6.838 4.576 ( 0.317 -1.521 1.822) 2.395 4.628 ( -5.314 4.808 3.359) 7.914 4.905 ( 3.100 -7.982 1.184) 8.644 4.991 ( -0.035 -0.043 -0.637) 0.639 5.234 ( 0.356 -0.127 4.429) 4.445 5.387 ( 5.219 -4.262 11.771) 13.564 5.404 ( 5.066 4.066 0.785) 6.543 5.906 ( -11.261 7.912 -3.264) 14.144 5.978 ( -6.411 -0.398 -11.618) 13.275 5.988 ( -4.793 0.286 -1.029) 4.911 6.230 ( -1.695 7.567 3.500) 8.508 6.323 ( 0.018 11.898 4.262) 12.638 6.422 ( 7.141 -2.118 -2.632) 7.900 6.601 ( -2.371 -0.756 -4.655) 5.278 6.786 ( 3.470 3.626 5.195) 7.223 7.827 ( -5.769 -1.053 -3.741) 6.956 8.005 ( 4.862 5.187 0.009) 7.109 8.226 ( -1.087 0.998 3.125) 3.455 8.314 ( 6.541 -0.786 0.824) 6.640 8.984 ( -0.881 0.219 1.065) 1.400 9.037 ( -1.115 3.831 3.274) 5.161 9.277 ( 1.661 -2.159 -0.094) 2.726 9.347 ( 5.529 1.712 -0.264) 5.794 9.532 ( -5.798 -0.067 -0.455) 5.816 9.624 ( 0.389 3.450 1.843) 3.930 9.768 ( -2.048 5.262 -6.873) 8.895 9.817 ( 3.538 -4.255 -0.998) 5.624 10.115 ( -1.932 -2.398 -0.745) 3.168 10.336 ( 0.454 -4.194 -0.545) 4.253 10.605 ( 0.863 8.791 1.589) 8.975 10.652 ( 5.320 8.030 -3.214) 10.154 11.164 ( -0.318 0.731 3.635) 3.722 11.319 ( 3.059 1.443 3.116) 4.599 11.357 ( 4.952 -1.030 1.751) 5.353 11.446 ( 4.316 1.543 -1.422) 4.799 11.775 ( -3.164 -0.820 -6.227) 7.033 11.971 ( 3.624 -3.164 -0.400) 4.827 12.197 ( -4.225 4.448 -5.509) 8.245 12.271 ( -3.937 2.212 0.481) 4.542 12.397 ( 0.226 4.488 0.736) 4.554 12.513 ( 1.070 7.181 3.659) 8.131 12.771 ( -3.663 -0.198 -3.273) 4.916 12.877 ( -1.835 -0.951 2.711) 3.408 13.383 ( -3.476 0.473 4.712) 5.874 13.446 ( 5.949 2.162 -1.797) 6.580 13.664 ( -7.197 -3.404 -5.000) 9.401 13.937 ( 3.395 -8.134 2.243) 9.094 14.318 ( -7.943 5.441 -7.661) 12.304 14.554 ( 3.003 0.915 1.959) 3.700 15.083 ( -2.569 -7.316 -3.095) 8.349 15.229 ( 1.712 -7.594 4.457) 8.970 15.464 ( -4.456 -7.130 1.791) 8.597 15.506 ( -6.231 -10.611 -1.009) 12.346 15.836 ( -0.952 -10.760 0.434) 10.811 16.191 ( 10.521 -0.076 0.941) 10.563 16.526 ( -3.636 6.522 -3.447) 8.224 16.648 ( -3.564 -0.043 6.480) 7.395 17.017 ( -2.445 -2.643 -1.000) 3.737 17.138 ( 1.869 -5.360 1.648) 5.911 17.375 ( -2.599 -2.943 -2.293) 4.547 17.549 ( 3.749 -0.884 -0.046) 3.852 19.833 ( 3.900 -7.993 -1.716) 9.058 19.923 ( 4.352 -1.880 4.338) 6.426 20.754 ( -0.096 8.592 -0.773) 8.627 20.779 ( 0.232 8.727 0.693) 8.757 22.396 ( -4.933 -11.261 2.054) 12.465 22.467 ( 1.626 -9.250 -3.131) 9.900 23.186 ( -1.479 8.810 2.393) 9.248 23.216 ( 3.083 7.201 -0.854) 7.879 27.350 ( -0.617 -18.683 -3.652) 19.047 27.570 ( -0.328 -25.588 12.733) 28.583 28.909 ( -4.889 20.428 -3.090) 21.231 29.192 ( 7.760 17.951 -1.891) 19.648 30.806 ( -6.614 -7.540 -3.983) 10.792 30.877 ( -2.814 -5.764 1.927) 6.697 30.992 ( -12.240 -10.424 -1.648) 16.162 31.330 ( -1.229 -4.038 -1.216) 4.392 31.541 ( 2.130 -1.312 5.802) 6.319 31.697 ( 7.039 6.331 -2.978) 9.924 31.830 ( -5.772 5.914 -0.903) 8.313 32.173 ( 17.845 -0.168 -9.940) 20.428 32.868 ( 0.193 -9.293 -3.884) 10.074 33.015 ( 4.452 -8.684 0.795) 9.791 33.622 ( 0.397 4.411 -4.585) 6.375 33.674 ( -4.011 4.355 5.173) 7.862 35.416 ( -1.151 -1.630 -0.296) 2.017 35.449 ( 0.553 -1.852 -0.822) 2.100 35.848 ( 1.711 -3.043 -4.271) 5.517 35.884 ( -0.165 -2.574 2.633) 3.686 36.265 ( -2.334 -6.280 5.450) 8.636 36.302 ( 3.468 -2.401 1.956) 4.649 37.693 ( -22.894 10.388 9.605) 26.912 38.225 ( 17.254 20.941 -6.946) 28.008 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.720 -7.660 -15.647) 17.436 2.177 ( 1.398 -7.022 1.275) 7.273 2.255 ( 14.576 -10.648 -6.075) 19.046 2.651 ( 7.783 -6.463 8.190) 13.016 2.831 ( -2.764 -0.940 2.983) 4.174 3.021 ( -7.826 0.303 -7.504) 10.847 3.097 ( -3.186 -4.079 -0.887) 5.251 3.418 ( -5.288 4.099 1.660) 6.893 3.439 ( 0.836 -2.406 -8.577) 8.947 3.659 ( 4.324 -6.890 -2.571) 8.531 3.771 ( -2.281 -4.259 1.845) 5.172 3.827 ( -2.036 3.185 1.209) 3.969 3.920 ( 7.523 -4.999 5.690) 10.675 4.181 ( -3.118 6.673 -9.684) 12.167 4.319 ( -3.952 4.299 5.123) 7.768 4.457 ( -3.891 1.383 -4.205) 5.893 4.736 ( 3.431 -5.107 7.551) 9.740 4.937 ( -1.492 2.544 -0.724) 3.037 5.049 ( 2.478 -0.250 0.477) 2.536 5.211 ( -2.020 1.901 3.043) 4.117 5.381 ( 5.325 0.840 2.931) 6.136 5.549 ( -2.863 -0.742 1.817) 3.471 5.670 ( -2.605 7.591 -0.414) 8.037 5.874 ( -3.675 -1.153 -3.270) 5.053 5.943 ( -5.309 -0.072 -2.930) 6.064 6.143 ( -1.571 4.734 5.189) 7.198 6.257 ( 5.632 -1.205 -1.136) 5.870 6.512 ( 1.361 -2.019 0.247) 2.447 6.558 ( -0.621 -0.827 -5.056) 5.161 6.775 ( 1.048 2.381 4.278) 5.007 7.801 ( -3.272 -2.369 -2.295) 4.645 7.926 ( 2.031 5.233 -1.267) 5.754 8.176 ( -3.669 1.706 0.799) 4.124 8.432 ( 6.502 -2.400 2.660) 7.424 8.998 ( 1.333 -0.333 4.077) 4.302 9.056 ( 0.014 -2.813 0.742) 2.910 9.286 ( 2.301 2.305 -1.646) 3.649 9.366 ( 2.959 0.128 2.537) 3.900 9.471 ( -0.918 4.087 0.853) 4.274 9.536 ( -2.516 4.192 -1.754) 5.194 9.703 ( 1.267 -3.828 -3.357) 5.246 9.921 ( 1.547 -4.551 -1.094) 4.930 10.052 ( -4.263 6.031 -1.134) 7.472 10.383 ( -5.220 -3.915 -1.387) 6.670 10.463 ( 3.718 7.796 -1.297) 8.734 10.524 ( 2.746 7.494 -1.486) 8.119 11.173 ( -0.505 -0.249 1.984) 2.062 11.333 ( 6.265 3.673 0.457) 7.277 11.417 ( 2.066 -3.200 0.633) 3.861 11.474 ( 0.232 -2.487 1.747) 3.048 11.685 ( -0.361 4.580 -7.034) 8.401 11.955 ( -3.743 1.564 -4.153) 5.806 12.146 ( -3.558 -3.095 -0.587) 4.752 12.338 ( 1.534 5.145 1.489) 5.571 12.381 ( 3.032 -9.881 2.540) 10.643 12.425 ( 1.047 3.104 4.082) 5.234 12.707 ( -2.594 1.981 -1.630) 3.648 12.847 ( -0.344 5.692 1.334) 5.856 13.404 ( 0.434 -0.751 4.703) 4.782 13.467 ( 1.522 -1.970 -1.435) 2.874 13.647 ( -6.199 -4.255 -3.750) 8.402 13.947 ( -1.441 9.066 -0.328) 9.185 14.226 ( -1.685 -4.893 -7.775) 9.340 14.591 ( 2.555 -1.386 3.513) 4.560 15.154 ( -3.053 -6.115 -3.045) 7.483 15.397 ( -0.248 2.014 4.424) 4.867 15.438 ( 0.413 -2.409 1.067) 2.667 15.657 ( -4.269 -7.765 0.426) 8.871 15.955 ( 2.889 -1.140 1.051) 3.279 16.290 ( 6.667 -6.232 -2.828) 9.554 16.350 ( -4.988 6.636 -4.556) 9.470 16.717 ( -3.844 -2.002 9.770) 10.688 17.045 ( -1.268 -2.267 -0.590) 2.664 17.257 ( 0.568 -5.371 1.096) 5.511 17.384 ( -0.092 -0.071 -0.957) 0.964 17.581 ( 1.824 -0.878 -0.619) 2.117 20.015 ( 2.657 -6.178 1.570) 6.906 20.038 ( 3.891 -8.106 0.421) 9.002 20.574 ( -2.956 10.166 1.831) 10.744 20.632 ( 1.543 7.208 -2.337) 7.733 22.581 ( -2.721 -10.993 0.964) 11.366 22.624 ( 0.231 -9.778 -2.911) 10.204 23.015 ( -1.933 10.088 2.726) 10.627 23.092 ( 2.563 8.426 -0.949) 8.858 27.686 ( 0.143 -21.112 -2.863) 21.306 28.086 ( -4.657 -23.743 14.095) 28.002 28.491 ( -1.874 21.667 -0.500) 21.754 28.901 ( 8.321 18.922 -5.497) 21.389 30.902 ( -3.479 -8.997 -1.966) 9.844 30.986 ( -3.684 -6.933 2.710) 8.305 31.085 ( -4.900 -7.718 -1.512) 9.266 31.316 ( 2.006 2.740 -2.426) 4.173 31.502 ( 2.427 6.575 0.760) 7.050 31.566 ( -3.969 8.861 -3.291) 10.252 31.850 ( -1.666 -6.900 7.100) 10.040 32.218 ( 12.229 1.740 -10.192) 16.014 33.026 ( 1.381 -8.899 -2.191) 9.268 33.200 ( 4.611 -7.395 0.413) 8.724 33.498 ( -4.471 6.247 0.463) 7.696 33.585 ( -0.997 4.725 0.110) 4.830 35.437 ( -0.451 -1.417 -0.213) 1.503 35.482 ( 0.182 -1.677 -0.512) 1.763 35.874 ( 0.223 -1.297 -1.620) 2.088 35.938 ( 1.583 -1.173 0.847) 2.144 36.378 ( 1.794 -3.833 1.782) 4.592 36.408 ( -1.048 -5.804 3.021) 6.627 37.442 ( -14.783 6.788 9.775) 18.978 37.931 ( 10.336 16.299 -9.428) 21.480 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.000 0.000 -0.000) 0.000 2.255 ( -0.000 0.000 0.000) 0.000 2.439 ( 0.000 -0.000 -0.000) 0.000 2.767 ( -0.000 0.000 0.000) 0.000 2.854 ( -0.000 0.000 0.000) 0.000 2.906 ( -0.000 0.000 0.000) 0.000 3.146 ( -0.000 0.000 -0.000) 0.000 3.374 ( 0.000 0.000 -0.000) 0.000 3.432 ( -0.000 0.000 0.000) 0.000 3.744 ( -0.000 0.000 0.000) 0.000 3.778 ( -0.000 0.000 0.000) 0.000 3.907 ( 0.000 -0.000 0.000) 0.000 3.928 ( -0.000 0.000 -0.000) 0.000 4.133 ( -0.000 0.000 0.000) 0.000 4.184 ( 0.000 -0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.807 ( -0.000 0.000 0.000) 0.000 4.960 ( 0.000 -0.000 0.000) 0.000 4.987 ( -0.000 0.000 -0.000) 0.000 5.200 ( -0.000 0.000 0.000) 0.000 5.458 ( 0.000 -0.000 0.000) 0.000 5.462 ( -0.000 0.000 -0.000) 0.000 5.609 ( -0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 -0.000) 0.000 5.903 ( -0.000 0.000 0.000) 0.000 6.114 ( -0.000 0.000 0.000) 0.000 6.317 ( -0.000 0.000 -0.000) 0.000 6.485 ( -0.000 0.000 0.000) 0.000 6.590 ( -0.000 0.000 0.000) 0.000 6.768 ( -0.000 0.000 0.000) 0.000 7.827 ( -0.000 0.000 0.000) 0.000 7.861 ( -0.000 -0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 9.050 ( -0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.264 ( -0.000 0.000 0.000) 0.000 9.383 ( -0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 -0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.843 ( -0.000 0.000 -0.000) 0.000 9.848 ( 0.000 -0.000 0.000) 0.000 9.983 ( -0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 10.399 ( -0.000 -0.000 -0.000) 0.000 10.452 ( -0.000 0.000 -0.000) 0.000 11.181 ( -0.000 0.000 0.000) 0.000 11.317 ( 0.000 0.000 -0.000) 0.000 11.470 ( 0.000 0.000 0.000) 0.000 11.544 ( -0.000 0.000 -0.000) 0.000 11.573 ( -0.000 0.000 0.000) 0.000 11.904 ( -0.000 0.000 0.000) 0.000 12.213 ( -0.000 -0.000 -0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.413 ( -0.000 0.000 0.000) 0.000 12.587 ( -0.000 0.000 0.000) 0.000 12.684 ( -0.000 -0.000 0.000) 0.000 12.718 ( -0.000 0.000 0.000) 0.000 13.425 ( 0.000 0.000 0.000) 0.000 13.503 ( -0.000 0.000 0.000) 0.000 13.687 ( -0.000 -0.000 0.000) 0.000 13.794 ( -0.000 0.000 -0.000) 0.000 14.249 ( -0.000 0.000 0.000) 0.000 14.640 ( -0.000 0.000 0.000) 0.000 15.213 ( -0.000 0.000 0.000) 0.000 15.310 ( 0.000 -0.000 0.000) 0.000 15.510 ( -0.000 0.000 0.000) 0.000 15.698 ( -0.000 0.000 0.000) 0.000 16.015 ( -0.000 0.000 0.000) 0.000 16.206 ( 0.000 -0.000 0.000) 0.000 16.401 ( -0.000 0.000 0.000) 0.000 16.734 ( 0.000 -0.000 -0.000) 0.000 17.060 ( 0.000 0.000 0.000) 0.000 17.323 ( -0.000 0.000 0.000) 0.000 17.370 ( -0.000 0.000 0.000) 0.000 17.598 ( -0.000 0.000 0.000) 0.000 20.086 ( -0.000 0.000 0.000) 0.000 20.184 ( -0.000 0.000 0.000) 0.000 20.432 ( 0.000 0.000 0.000) 0.000 20.557 ( -0.000 0.000 0.000) 0.000 22.694 ( 0.000 0.000 0.000) 0.000 22.756 ( -0.000 -0.000 0.000) 0.000 22.876 ( -0.000 0.000 0.000) 0.000 22.996 ( 0.000 0.000 0.000) 0.000 28.060 ( -0.000 0.000 0.000) 0.000 28.069 ( 0.000 -0.000 -0.000) 0.000 28.456 ( -0.000 -0.000 0.000) 0.000 28.644 ( -0.000 0.000 -0.000) 0.000 30.997 ( -0.000 0.000 0.000) 0.000 31.039 ( -0.000 0.000 -0.000) 0.000 31.139 ( 0.000 0.000 -0.000) 0.000 31.311 ( 0.000 -0.000 0.000) 0.000 31.402 ( -0.000 0.000 0.000) 0.000 31.450 ( -0.000 0.000 0.000) 0.000 31.944 ( -0.000 0.000 -0.000) 0.000 32.211 ( -0.000 0.000 0.000) 0.000 33.126 ( -0.000 0.000 0.000) 0.000 33.333 ( 0.000 -0.000 -0.000) 0.000 33.370 ( -0.000 0.000 0.000) 0.000 33.526 ( -0.000 0.000 0.000) 0.000 35.449 ( 0.000 0.000 0.000) 0.000 35.497 ( -0.000 0.000 -0.000) 0.000 35.883 ( -0.000 0.000 0.000) 0.000 35.956 ( -0.000 0.000 0.000) 0.000 36.435 ( -0.000 0.000 0.000) 0.000 36.468 ( 0.000 0.000 -0.000) 0.000 37.351 ( -0.000 0.000 0.000) 0.000 37.783 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -1.749 -0.000 -27.350) 27.406 1.831 ( 14.068 0.000 -26.557) 30.053 2.347 ( 12.387 0.000 11.378) 16.820 2.418 ( 12.513 0.000 6.537) 14.117 2.693 ( -2.502 -0.000 -9.056) 9.396 2.888 ( -3.952 -0.000 -2.064) 4.459 3.095 ( -2.633 -0.000 -9.937) 10.280 3.219 ( 6.473 0.000 -4.087) 7.655 3.318 ( 1.799 0.000 13.279) 13.401 3.433 ( -0.213 -0.000 6.100) 6.104 3.718 ( -10.215 -0.000 0.550) 10.230 3.744 ( -3.867 -0.000 2.115) 4.407 4.030 ( -6.305 -0.000 -6.851) 9.311 4.086 ( -6.571 -0.000 -0.288) 6.578 4.423 ( 0.134 0.000 -12.814) 12.815 4.508 ( -0.776 -0.000 2.585) 2.699 4.539 ( -3.076 -0.000 7.139) 7.774 4.864 ( 2.384 0.000 3.971) 4.632 5.073 ( 0.358 0.000 4.911) 4.924 5.080 ( 5.080 0.000 -0.511) 5.106 5.387 ( 1.106 0.000 12.960) 13.008 5.539 ( 2.836 0.000 -1.817) 3.368 5.886 ( -2.418 -0.000 -8.677) 9.008 5.927 ( -4.003 -0.000 -2.942) 4.968 6.184 ( -13.712 -0.000 2.129) 13.876 6.297 ( -9.303 -0.000 -0.766) 9.335 6.405 ( -2.665 -0.000 -1.468) 3.042 6.591 ( 2.386 0.000 -3.378) 4.136 6.768 ( 3.549 0.000 3.967) 5.323 6.843 ( 5.957 0.000 1.007) 6.042 7.808 ( -3.552 -0.000 -3.881) 5.261 8.081 ( 7.243 0.000 5.675) 9.201 8.255 ( 4.980 0.000 1.927) 5.339 8.391 ( 6.182 0.000 3.441) 7.075 9.043 ( -8.019 -0.000 -4.623) 9.257 9.105 ( -6.076 -0.000 -1.665) 6.299 9.270 ( 2.199 0.000 0.160) 2.205 9.296 ( 2.225 0.000 -4.792) 5.284 9.524 ( -5.459 -0.000 1.689) 5.714 9.623 ( -3.206 -0.000 0.421) 3.233 9.771 ( 8.339 0.000 -0.455) 8.352 9.912 ( 0.267 0.000 -2.080) 2.097 10.001 ( 5.617 0.000 3.413) 6.572 10.253 ( 3.401 0.000 1.077) 3.567 10.798 ( 2.763 0.000 8.715) 9.142 10.824 ( 8.116 0.000 -6.037) 10.115 11.128 ( -3.188 -0.000 -0.081) 3.189 11.316 ( -4.279 -0.000 7.831) 8.924 11.393 ( 4.372 0.000 0.099) 4.373 11.627 ( 16.003 0.000 1.227) 16.050 11.708 ( -2.356 -0.000 -7.170) 7.547 11.897 ( 2.969 0.000 3.056) 4.261 12.449 ( -5.893 -0.000 -3.965) 7.103 12.459 ( -7.146 -0.000 -4.063) 8.220 12.493 ( -4.044 -0.000 -4.258) 5.873 12.593 ( -11.274 -0.000 -2.034) 11.456 12.706 ( 6.937 0.000 -1.086) 7.021 12.870 ( 1.903 0.000 4.208) 4.618 13.433 ( -3.113 -0.000 2.075) 3.741 13.493 ( 2.531 0.000 0.454) 2.571 13.588 ( -4.254 -0.000 0.382) 4.271 13.691 ( 4.130 0.000 0.176) 4.134 14.456 ( 0.011 0.000 0.101) 0.102 14.512 ( 0.274 0.000 2.943) 2.955 14.756 ( -24.092 -0.000 -10.942) 26.460 15.026 ( -0.009 -0.000 -0.756) 0.756 15.177 ( -9.044 -0.000 0.471) 9.057 15.177 ( 0.186 0.000 -4.864) 4.867 15.591 ( 1.989 0.000 -1.292) 2.371 16.183 ( 15.831 0.000 4.134) 16.362 16.739 ( -3.067 -0.000 -0.998) 3.225 16.757 ( -1.590 -0.000 -1.339) 2.079 16.994 ( -1.523 -0.000 -1.755) 2.324 16.997 ( -3.752 -0.000 0.701) 3.817 17.248 ( -4.267 -0.000 -2.326) 4.860 17.518 ( 6.021 0.000 0.751) 6.067 19.687 ( 2.180 0.000 -1.699) 2.764 19.951 ( 10.092 0.000 6.826) 12.184 20.933 ( 1.304 0.000 -1.679) 2.126 20.979 ( 0.224 0.000 2.990) 2.999 22.148 ( -6.136 -0.000 2.518) 6.633 22.255 ( 2.518 0.000 -2.281) 3.397 23.360 ( 3.648 0.000 -3.781) 5.254 23.371 ( -2.173 -0.000 3.807) 4.383 26.965 ( 0.100 0.000 -0.021) 0.102 26.969 ( 0.109 0.000 0.279) 0.299 29.399 ( -1.977 -0.000 -3.086) 3.664 29.561 ( 3.520 0.000 -1.239) 3.732 30.609 ( -29.649 -0.000 -5.845) 30.220 30.736 ( -2.050 -0.000 0.034) 2.050 30.791 ( -1.606 -0.000 3.450) 3.805 31.124 ( 6.742 0.000 -4.237) 7.963 31.475 ( -2.154 -0.000 4.200) 4.721 31.888 ( 15.845 0.000 -5.941) 16.922 32.075 ( 8.979 0.000 -8.424) 12.312 32.100 ( 2.686 0.000 -0.028) 2.686 32.658 ( -0.538 -0.000 -5.449) 5.476 32.801 ( 7.057 0.000 -3.560) 7.905 33.700 ( 3.429 0.000 -8.128) 8.822 33.762 ( -6.486 -0.000 9.447) 11.459 35.386 ( -2.287 -0.000 0.926) 2.468 35.414 ( 1.390 0.000 -2.314) 2.699 35.742 ( 2.630 0.000 -6.817) 7.306 35.818 ( -3.728 -0.000 6.806) 7.760 36.149 ( 1.337 0.000 -1.313) 1.874 36.290 ( 2.613 0.000 8.686) 9.071 37.920 ( -27.881 -0.000 7.880) 28.973 38.723 ( 18.360 0.000 3.057) 18.613 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.288 -16.278 -21.087) 27.619 1.861 ( 13.898 -9.635 -26.437) 31.383 2.315 ( 2.482 14.149 6.898) 15.935 2.490 ( 12.804 0.185 -3.480) 13.269 2.677 ( 0.364 -4.070 -10.466) 11.235 2.785 ( 3.945 -2.443 6.855) 8.278 3.103 ( 0.659 1.910 -14.090) 14.234 3.222 ( 1.595 -3.461 -4.236) 5.698 3.499 ( -3.067 -3.343 5.113) 6.836 3.566 ( -13.280 1.296 1.287) 13.405 3.730 ( 2.934 -8.541 5.068) 10.356 3.749 ( -2.406 -9.272 4.263) 10.485 3.944 ( -8.070 5.574 -0.470) 9.819 3.972 ( -0.073 -3.191 -0.717) 3.272 4.341 ( -0.458 0.274 -9.119) 9.134 4.566 ( -1.580 -1.544 7.141) 7.475 4.657 ( 0.691 -5.390 10.238) 11.591 4.877 ( 1.781 1.301 7.787) 8.093 5.009 ( -0.725 2.534 -3.484) 4.369 5.176 ( -3.104 -5.236 -0.696) 6.127 5.484 ( 3.192 2.764 2.413) 4.863 5.518 ( 7.232 1.865 10.453) 12.847 5.839 ( -2.940 -2.285 -11.363) 11.957 5.861 ( -7.607 0.590 -4.793) 9.010 6.031 ( -8.496 5.700 2.599) 10.556 6.270 ( -12.156 -3.554 -0.014) 12.664 6.333 ( -4.967 3.136 -0.831) 5.932 6.562 ( -1.306 1.042 -5.347) 5.602 6.662 ( 8.816 12.592 -0.326) 15.375 6.887 ( 2.923 1.987 1.666) 3.907 7.777 ( -0.169 0.616 -1.123) 1.292 8.134 ( 4.248 4.110 2.111) 6.276 8.302 ( 5.856 1.294 4.234) 7.341 8.394 ( 3.443 3.709 2.393) 5.598 8.950 ( -6.007 -0.344 -0.220) 6.021 9.089 ( -2.292 -0.472 0.792) 2.470 9.245 ( 1.033 0.753 -3.597) 3.818 9.341 ( -2.399 -3.862 -3.383) 5.667 9.465 ( -0.623 0.813 0.055) 1.026 9.641 ( -4.586 -2.182 -1.024) 5.181 9.808 ( 6.070 1.204 -3.204) 6.968 9.834 ( -1.680 3.679 -1.247) 4.233 10.111 ( 8.191 -1.008 1.915) 8.472 10.291 ( 1.488 -0.976 0.479) 1.843 10.786 ( 1.305 8.084 4.589) 9.387 10.793 ( 5.529 5.355 -5.720) 9.590 11.180 ( 0.240 -3.690 4.915) 6.151 11.299 ( -4.299 0.371 4.224) 6.038 11.420 ( 3.851 0.567 0.620) 3.942 11.631 ( 9.697 8.214 -6.098) 14.096 11.684 ( 1.503 -0.637 -1.694) 2.352 11.970 ( 5.431 -1.369 0.685) 5.643 12.196 ( -11.522 6.659 -12.214) 18.063 12.323 ( -3.724 6.054 1.866) 7.349 12.486 ( -3.293 -1.007 1.547) 3.775 12.589 ( -3.866 -2.193 -5.941) 7.420 12.682 ( 4.545 5.221 4.619) 8.321 12.892 ( -0.052 0.774 4.233) 4.303 13.399 ( -3.759 1.891 3.319) 5.359 13.507 ( 2.932 0.314 -1.236) 3.198 13.595 ( -1.569 -0.210 -2.192) 2.704 13.802 ( 3.769 -9.180 2.457) 10.223 14.315 ( -10.887 6.400 -7.341) 14.608 14.551 ( 0.583 -2.548 0.889) 2.760 14.848 ( -7.256 -19.231 -1.252) 20.593 15.131 ( -0.942 -12.081 5.246) 13.204 15.176 ( -6.532 -7.485 -2.091) 10.153 15.234 ( -5.829 -9.941 -0.972) 11.565 15.698 ( 8.376 -6.910 -0.801) 10.888 16.289 ( 9.399 1.448 1.878) 9.694 16.608 ( -4.063 6.823 -1.636) 8.107 16.700 ( -3.248 5.401 0.068) 6.303 16.942 ( -3.619 -1.921 -0.853) 4.185 17.057 ( -0.497 -5.067 0.645) 5.132 17.275 ( -1.043 -5.025 -1.472) 5.339 17.561 ( 3.368 -0.476 -1.185) 3.601 19.749 ( 5.147 -4.358 -0.279) 6.750 20.023 ( 7.900 3.426 5.010) 9.963 20.882 ( 1.702 5.757 -1.845) 6.280 20.932 ( -0.422 6.741 2.735) 7.287 22.191 ( -5.854 -7.832 3.113) 10.262 22.313 ( 0.885 -6.301 -4.059) 7.547 23.319 ( -0.105 5.434 0.419) 5.451 23.333 ( 1.001 4.162 0.080) 4.281 27.068 ( 0.304 -11.009 -0.772) 11.040 27.180 ( -1.555 -21.227 5.981) 22.108 29.209 ( -0.199 16.325 -1.577) 16.402 29.483 ( 3.625 10.466 -3.578) 11.639 30.495 ( -14.554 -11.473 -6.976) 19.802 30.767 ( -3.371 -4.381 1.682) 5.778 30.826 ( -2.730 -3.571 3.581) 5.747 31.218 ( 3.593 -6.084 -1.781) 7.287 31.527 ( 0.172 -3.794 6.326) 7.379 31.865 ( 5.115 7.776 -3.347) 9.891 31.955 ( 2.330 9.826 -4.016) 10.868 32.201 ( 13.175 -3.313 -13.100) 18.872 32.699 ( 1.815 -7.335 -5.092) 9.112 32.900 ( 6.737 -6.988 -4.982) 10.911 33.662 ( 2.292 2.261 -6.276) 7.054 33.734 ( -6.810 2.746 7.799) 10.712 35.384 ( -1.351 -0.944 0.756) 1.813 35.420 ( 0.879 -1.050 -1.917) 2.356 35.763 ( 2.837 -3.825 -6.862) 8.353 35.845 ( -4.028 -2.374 5.534) 7.245 36.191 ( 1.507 -3.338 1.735) 4.053 36.354 ( 3.041 0.772 8.033) 8.624 37.720 ( -23.528 5.770 12.621) 27.316 38.671 ( 10.449 17.649 -3.327) 20.778 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 10.104 -11.520 -17.979) 23.623 2.120 ( 17.169 -12.842 -12.542) 24.839 2.233 ( 4.378 0.203 11.664) 12.461 2.615 ( 5.915 -6.755 -1.469) 9.098 2.785 ( 5.315 -6.992 -3.933) 9.623 2.910 ( -7.548 -7.254 -1.949) 10.649 2.971 ( 4.379 2.312 -5.290) 7.246 3.304 ( -1.055 -7.186 -9.582) 12.024 3.387 ( -10.773 2.140 -7.318) 13.198 3.532 ( -0.559 -1.490 3.932) 4.242 3.744 ( -5.560 -1.720 -2.242) 6.237 3.784 ( -8.142 2.049 0.333) 8.402 3.912 ( 8.632 -2.233 1.977) 9.133 4.218 ( 0.459 -6.573 5.450) 8.551 4.277 ( -1.009 1.324 -7.083) 7.276 4.624 ( 3.079 7.178 9.991) 12.682 4.680 ( -4.375 -1.926 10.634) 11.659 4.946 ( -3.846 1.464 -2.072) 4.607 5.033 ( 4.038 -5.281 5.745) 8.786 5.195 ( -6.009 -2.358 0.481) 6.473 5.429 ( -0.881 0.358 -2.350) 2.535 5.605 ( 4.921 3.940 3.433) 7.178 5.775 ( -2.880 3.223 -6.304) 7.644 5.800 ( -1.452 -1.465 2.051) 2.909 5.903 ( -1.340 1.607 -2.275) 3.091 6.214 ( -8.964 -1.933 -4.283) 10.121 6.234 ( -5.284 3.722 3.091) 7.164 6.487 ( -3.288 1.265 -3.987) 5.320 6.584 ( 10.967 3.983 -0.558) 11.681 6.856 ( -0.205 3.612 3.069) 4.744 7.775 ( 2.612 0.658 2.521) 3.689 8.025 ( -1.451 6.668 -1.737) 7.042 8.267 ( 1.734 6.283 2.150) 6.863 8.458 ( 6.121 -2.119 2.617) 6.986 8.954 ( -3.770 -2.994 -1.149) 4.949 9.064 ( 0.602 2.476 3.297) 4.167 9.258 ( -1.502 -4.132 -3.491) 5.614 9.357 ( -2.637 -3.002 -2.115) 4.521 9.480 ( 1.669 -0.793 -0.835) 2.028 9.576 ( -5.051 2.836 -3.380) 6.707 9.736 ( 2.161 4.497 1.478) 5.203 9.866 ( 4.070 -2.387 -2.793) 5.483 10.139 ( 3.871 4.173 0.455) 5.710 10.290 ( -3.706 0.435 -0.599) 3.780 10.641 ( 1.275 8.356 -0.505) 8.467 10.670 ( 2.151 8.005 -4.353) 9.362 11.200 ( -1.009 2.015 3.634) 4.276 11.348 ( -1.654 -4.693 1.933) 5.338 11.448 ( 1.023 -1.471 0.297) 1.816 11.502 ( 7.323 8.413 -7.136) 13.241 11.697 ( 1.908 0.334 -2.900) 3.487 11.889 ( -5.969 2.381 -10.007) 11.893 12.127 ( 1.858 -0.559 0.455) 1.993 12.271 ( 0.266 -2.692 5.745) 6.350 12.483 ( 5.510 6.600 3.668) 9.347 12.519 ( -2.839 0.525 -1.987) 3.505 12.663 ( -3.901 1.292 1.358) 4.328 12.901 ( -1.163 0.793 3.313) 3.599 13.394 ( -1.473 -2.710 4.696) 5.618 13.507 ( 2.807 5.074 -2.336) 6.252 13.553 ( -1.758 -2.066 -0.244) 2.724 14.025 ( -3.195 -9.670 -7.939) 12.913 14.087 ( 1.153 6.488 1.076) 6.677 14.603 ( 1.969 -1.831 0.211) 2.697 15.018 ( -1.534 -5.651 -1.918) 6.162 15.284 ( -3.415 -9.815 4.245) 11.226 15.396 ( -2.762 -10.881 0.260) 11.229 15.435 ( -6.251 -11.620 6.181) 14.571 15.900 ( 7.395 -8.648 -1.012) 11.424 16.275 ( 2.028 3.432 -4.560) 6.057 16.455 ( -2.057 8.131 0.529) 8.404 16.644 ( -6.464 -3.834 6.097) 9.678 16.986 ( -0.636 -4.193 0.698) 4.298 17.159 ( -0.414 -5.689 0.799) 5.760 17.356 ( 1.880 -3.857 -0.575) 4.329 17.572 ( 0.846 -0.352 -2.290) 2.466 19.905 ( 6.177 -7.736 -0.031) 9.899 20.040 ( 4.510 1.417 3.092) 5.649 20.745 ( 0.290 9.302 -0.967) 9.357 20.784 ( -0.537 9.740 0.658) 9.777 22.350 ( -4.742 -11.943 3.332) 13.275 22.430 ( 0.647 -9.260 -5.897) 10.997 23.185 ( -2.397 8.857 2.558) 9.526 23.240 ( 1.285 6.878 -1.875) 7.243 27.332 ( 1.649 -17.881 -1.003) 17.984 27.654 ( -7.821 -27.039 11.182) 30.287 28.874 ( 1.864 20.943 1.289) 21.065 29.234 ( 3.878 16.474 -6.470) 18.119 30.663 ( -0.955 -14.056 -0.710) 14.106 30.856 ( -2.325 -6.639 3.658) 7.928 30.913 ( -3.143 -6.811 2.667) 7.961 31.316 ( 2.094 -2.755 -0.901) 3.576 31.653 ( 1.738 0.406 6.088) 6.344 31.719 ( 1.991 9.073 -4.404) 10.280 31.761 ( -3.637 3.896 0.924) 5.410 32.239 ( 10.997 -0.606 -18.887) 21.864 32.861 ( 4.247 -9.905 -3.449) 11.316 33.072 ( 3.777 -9.538 -2.669) 10.600 33.579 ( -0.640 5.158 -2.187) 5.639 33.655 ( -4.749 4.315 3.623) 7.369 35.407 ( -0.032 -1.713 0.480) 1.779 35.444 ( 0.341 -2.013 -0.996) 2.271 35.816 ( 1.762 -3.526 -5.567) 6.821 35.903 ( -2.056 -3.709 2.863) 5.117 36.300 ( -0.401 -5.842 4.834) 7.594 36.402 ( 3.585 0.313 4.495) 5.758 37.521 ( -16.884 7.488 16.100) 24.502 38.299 ( 6.356 23.039 -13.313) 27.357 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 13.607 -9.345 -2.343) 16.672 2.308 ( 11.084 -2.247 -2.798) 11.650 2.436 ( 10.601 -2.615 5.893) 12.408 2.707 ( 3.832 -5.138 -3.808) 7.455 2.832 ( -4.977 0.248 -0.661) 5.027 2.975 ( -2.441 -0.304 7.492) 7.886 3.074 ( -5.017 -10.552 4.468) 12.509 3.292 ( -9.703 -1.969 0.393) 9.908 3.338 ( 6.243 -5.678 -10.183) 13.225 3.632 ( -1.018 -6.566 -5.794) 8.816 3.673 ( -5.536 -1.513 -8.110) 9.935 3.816 ( -4.573 -9.752 -0.529) 10.784 4.004 ( -0.430 2.258 -4.606) 5.148 4.127 ( 7.601 2.872 -1.899) 8.344 4.247 ( -5.383 8.499 1.201) 10.132 4.531 ( 3.903 4.934 8.842) 10.852 4.783 ( -1.234 -1.527 3.731) 4.216 4.884 ( -5.253 -1.696 -0.891) 5.592 5.021 ( -2.561 4.269 -1.912) 5.333 5.219 ( -1.499 0.839 2.762) 3.253 5.424 ( -1.248 -1.244 -1.568) 2.359 5.595 ( 6.838 2.388 4.373) 8.460 5.615 ( -3.309 4.629 -5.916) 8.208 5.859 ( -0.538 -3.178 3.219) 4.555 5.935 ( 5.631 0.436 1.109) 5.755 6.130 ( -3.907 1.243 -0.580) 4.141 6.253 ( -2.738 -4.893 -2.642) 6.199 6.431 ( -2.492 -0.958 -3.606) 4.486 6.625 ( 4.603 1.097 3.585) 5.937 6.801 ( -2.034 3.171 2.706) 4.638 7.824 ( 4.005 -0.267 5.215) 6.581 7.911 ( -1.856 3.463 -0.436) 3.953 8.204 ( 3.351 3.077 0.919) 4.641 8.499 ( 0.942 1.223 -1.629) 2.244 8.960 ( -4.753 -3.412 -4.960) 7.670 9.073 ( 2.035 0.645 3.344) 3.967 9.264 ( -1.856 -0.001 -1.244) 2.235 9.397 ( 0.295 -1.378 -3.566) 3.835 9.463 ( -2.193 3.170 0.518) 3.889 9.480 ( -2.431 1.136 -2.175) 3.454 9.766 ( 5.815 -4.256 2.842) 7.747 9.904 ( -1.489 -0.647 0.298) 1.651 10.034 ( -0.049 7.571 0.093) 7.572 10.254 ( -4.951 -2.502 -0.656) 5.586 10.512 ( 2.012 6.928 -4.561) 8.535 10.554 ( 2.752 4.360 0.766) 5.213 11.190 ( -0.836 0.462 3.498) 3.626 11.372 ( 3.751 5.826 -6.495) 9.497 11.432 ( 1.055 -3.527 -1.412) 3.943 11.499 ( -0.720 -3.542 2.690) 4.505 11.627 ( 0.617 5.286 -4.413) 6.913 11.839 ( -3.465 -4.112 -3.512) 6.422 12.141 ( 0.853 -1.190 2.359) 2.776 12.399 ( 4.085 6.259 1.424) 7.608 12.438 ( -1.474 -2.785 0.497) 3.190 12.481 ( 2.519 -2.188 3.754) 5.023 12.621 ( -4.526 -0.771 -0.403) 4.609 12.829 ( -3.217 6.915 -1.810) 7.839 13.422 ( -0.049 1.510 -1.630) 2.222 13.510 ( 0.528 -2.162 6.404) 6.779 13.604 ( 1.965 -5.629 -0.353) 5.973 13.867 ( -4.494 4.759 -5.237) 8.383 14.238 ( 9.093 -3.097 1.580) 9.735 14.648 ( 0.823 -0.690 1.865) 2.152 15.103 ( -0.770 -6.624 0.252) 6.673 15.404 ( -4.920 -2.484 1.972) 5.854 15.436 ( -0.375 0.503 -0.903) 1.100 15.592 ( -3.674 -6.739 0.565) 7.696 16.064 ( 7.470 -3.638 1.168) 8.390 16.234 ( -4.125 2.021 -1.952) 4.991 16.340 ( 4.182 -0.465 -2.578) 4.935 16.694 ( -9.166 -2.378 4.324) 10.410 17.061 ( 1.753 -2.017 2.326) 3.543 17.249 ( -1.524 -4.677 0.049) 4.919 17.413 ( 3.269 0.068 0.143) 3.273 17.577 ( -0.880 -1.347 -1.234) 2.028 20.080 ( 3.064 -3.237 1.665) 4.758 20.103 ( 3.775 -6.402 0.021) 7.432 20.554 ( -2.092 10.766 1.901) 11.131 20.617 ( 0.062 7.283 -2.466) 7.690 22.556 ( -2.100 -11.737 1.307) 11.994 22.589 ( 0.266 -11.093 -3.665) 11.686 23.016 ( -1.767 9.438 2.618) 9.952 23.094 ( -0.024 8.246 -2.192) 8.533 27.703 ( 3.946 -21.229 0.084) 21.593 28.069 ( -10.953 -20.715 6.427) 24.298 28.529 ( 1.787 20.083 4.690) 20.700 28.896 ( 2.040 19.045 -9.568) 21.411 30.892 ( 1.924 -9.791 1.602) 10.106 30.999 ( -1.526 -7.044 5.818) 9.262 31.057 ( 1.436 -6.815 3.643) 7.860 31.353 ( 5.877 0.166 -1.352) 6.033 31.491 ( -2.269 10.738 -1.732) 11.111 31.553 ( 2.418 7.542 1.149) 8.003 31.864 ( -5.865 -6.897 5.610) 10.651 32.191 ( 4.431 0.555 -17.414) 17.978 33.048 ( 4.237 -8.120 -1.660) 9.308 33.244 ( 0.960 -8.188 -1.677) 8.413 33.453 ( -2.027 6.854 1.924) 7.401 33.562 ( -2.015 3.912 0.062) 4.401 35.441 ( 0.491 -1.277 0.539) 1.470 35.479 ( 0.218 -1.834 -0.410) 1.892 35.852 ( 1.179 -2.158 -3.505) 4.282 35.948 ( -2.099 -1.324 1.008) 2.679 36.416 ( -3.062 -3.769 7.096) 8.599 36.458 ( 5.417 -1.603 -1.593) 5.869 37.396 ( -8.263 4.623 14.311) 17.160 37.899 ( 3.017 14.899 -14.467) 20.985 ======================= Grid point 212 (103/114) ======================= q-point: ( 0.62 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 9.261 2.610 10.445) 14.201 2.350 ( -3.400 3.226 0.620) 4.728 2.435 ( 9.747 12.301 11.014) 19.173 2.659 ( -8.856 6.201 -7.665) 13.252 2.887 ( 2.892 3.647 -4.887) 6.749 2.958 ( 11.685 -8.035 -0.561) 14.192 3.268 ( -8.274 -9.331 1.226) 12.532 3.355 ( 7.716 2.455 16.071) 17.996 3.406 ( -7.024 -4.002 -1.174) 8.168 3.607 ( -6.577 -8.417 -5.110) 11.841 3.699 ( -0.674 -2.092 -9.108) 9.369 3.817 ( 0.697 3.853 -4.309) 5.822 3.971 ( -5.148 8.545 -2.128) 10.200 4.060 ( -3.890 -11.957 3.140) 12.960 4.254 ( 7.833 -5.470 -3.497) 10.174 4.547 ( -3.917 0.379 0.389) 3.955 4.743 ( -0.928 5.835 1.474) 6.089 4.890 ( 2.771 -3.189 -1.662) 4.540 4.977 ( -2.737 -1.752 -2.142) 3.892 5.172 ( -2.291 0.773 -2.641) 3.580 5.421 ( 1.291 3.186 2.964) 4.539 5.553 ( -0.464 -0.098 -2.162) 2.213 5.657 ( 8.344 -0.658 4.330) 9.423 5.915 ( 1.071 -1.062 5.061) 5.281 5.977 ( 3.581 -1.393 -1.000) 3.970 6.095 ( 1.458 0.203 -4.913) 5.129 6.236 ( -5.556 1.586 1.101) 5.882 6.463 ( -3.834 -4.556 -3.523) 6.919 6.625 ( 1.564 3.121 4.256) 5.504 6.747 ( -1.925 2.059 -0.020) 2.819 7.856 ( 0.161 0.445 1.179) 1.271 7.896 ( 2.656 0.469 4.880) 5.576 8.222 ( 5.830 0.113 0.991) 5.915 8.429 ( -3.125 3.587 -3.558) 5.941 8.941 ( -4.099 -1.408 -3.664) 5.676 9.076 ( -0.042 2.064 -0.490) 2.122 9.252 ( -2.482 -0.501 1.828) 3.122 9.324 ( -1.871 0.809 -8.995) 9.224 9.421 ( -0.716 0.336 2.033) 2.181 9.480 ( -2.084 -2.915 -0.598) 3.633 9.804 ( -0.269 4.562 0.797) 4.639 9.943 ( -3.723 -0.655 2.758) 4.679 10.024 ( 9.063 -5.974 3.854) 11.519 10.305 ( -1.856 -5.364 0.229) 5.681 10.426 ( -2.590 0.402 1.040) 2.819 10.519 ( 4.549 3.200 -1.966) 5.899 11.192 ( 0.020 1.406 1.784) 2.271 11.271 ( -1.468 2.440 -4.482) 5.310 11.445 ( -0.861 1.482 -0.785) 1.885 11.513 ( 0.094 3.915 -3.487) 5.244 11.628 ( 1.207 -6.723 7.156) 9.893 11.896 ( -1.553 -5.757 -2.806) 6.590 12.225 ( 1.681 -5.383 0.755) 5.690 12.313 ( 5.495 8.422 4.230) 10.909 12.369 ( -3.181 1.843 -2.454) 4.420 12.559 ( -2.206 9.662 -2.675) 10.265 12.658 ( -3.175 -1.466 -0.626) 3.553 12.684 ( -0.708 -10.051 -0.624) 10.095 13.410 ( 2.533 1.120 -2.747) 3.901 13.497 ( -4.324 2.446 2.134) 5.407 13.793 ( 2.926 1.639 2.763) 4.346 13.797 ( 5.089 -9.647 1.256) 10.979 14.319 ( 5.920 1.320 3.618) 7.063 14.611 ( -3.504 4.417 -1.434) 5.817 15.257 ( 2.689 -8.091 3.052) 9.056 15.321 ( 0.611 6.204 2.069) 6.569 15.461 ( -1.589 -0.956 -4.760) 5.109 15.613 ( -6.396 -4.253 -3.675) 8.514 16.088 ( 6.226 8.789 2.065) 10.967 16.252 ( 0.822 -6.195 3.139) 6.993 16.387 ( -0.628 0.557 1.491) 1.711 16.653 ( -5.141 -1.775 -5.707) 7.884 17.103 ( 3.257 0.874 2.274) 4.067 17.280 ( -3.630 -0.438 -1.411) 3.919 17.421 ( 4.471 1.623 1.034) 4.868 17.574 ( -2.705 0.018 -0.507) 2.752 20.096 ( 1.804 3.985 -0.659) 4.424 20.164 ( -2.637 5.128 0.483) 5.786 20.455 ( 2.838 -2.639 -0.274) 3.885 20.541 ( -2.105 -1.451 0.249) 2.569 22.701 ( 0.393 -2.020 0.688) 2.170 22.744 ( -0.155 -3.271 -1.649) 3.666 22.888 ( 1.040 1.628 0.777) 2.082 22.972 ( -2.244 0.555 -0.745) 2.429 28.085 ( 1.221 15.100 4.315) 15.752 28.140 ( 6.033 -18.952 1.404) 19.939 28.391 ( -1.757 8.839 -6.881) 11.339 28.556 ( -9.164 -3.236 -1.595) 9.848 31.046 ( 2.880 -1.662 1.468) 3.635 31.095 ( 3.984 4.652 1.529) 6.313 31.140 ( 0.232 -6.136 2.239) 6.535 31.285 ( -2.481 4.475 0.148) 5.119 31.478 ( 3.917 2.951 1.717) 5.196 31.510 ( 6.292 -5.143 5.035) 9.560 31.890 ( -3.231 1.098 -2.966) 4.521 32.123 ( -6.918 -1.756 -5.469) 8.992 33.142 ( 2.520 1.547 -0.666) 3.031 33.261 ( -6.152 3.884 1.110) 7.360 33.437 ( 6.083 -3.829 -2.009) 7.464 33.520 ( -2.118 -1.606 1.674) 3.141 35.460 ( 0.797 0.114 0.801) 1.136 35.497 ( -0.088 -0.105 -0.187) 0.232 35.873 ( 1.042 -1.057 -2.114) 2.583 35.933 ( -3.013 0.617 0.273) 3.088 36.439 ( -4.171 2.719 7.690) 9.161 36.485 ( 5.205 2.100 -6.185) 8.352 37.411 ( 5.761 -2.518 2.316) 6.700 37.717 ( -5.961 -1.985 -2.884) 6.914 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.155 10.981 5.330) 12.395 2.141 ( -5.627 15.327 1.911) 16.439 2.260 ( -0.247 12.913 10.821) 16.849 2.404 ( -5.132 9.622 -10.572) 15.189 2.942 ( 8.474 -2.485 7.257) 11.430 3.138 ( -1.912 -1.501 -4.469) 5.087 3.212 ( 5.657 5.776 6.249) 10.218 3.396 ( -5.694 -2.576 -6.388) 8.937 3.523 ( 3.727 -3.091 11.259) 12.256 3.603 ( 1.976 -0.215 -3.389) 3.929 3.732 ( -1.556 1.921 -7.199) 7.612 3.765 ( -4.448 -5.061 -1.677) 6.943 3.933 ( 7.290 -2.657 5.621) 9.581 4.159 ( -9.089 -1.081 -7.197) 11.644 4.372 ( 3.016 -2.027 6.572) 7.509 4.509 ( -4.513 -3.459 -8.809) 10.485 4.689 ( 7.142 3.652 11.391) 13.932 4.904 ( -5.430 -0.666 -4.852) 7.312 5.054 ( 5.104 -4.126 -1.424) 6.716 5.141 ( -3.110 -2.878 -4.775) 6.384 5.355 ( -0.799 5.953 5.012) 7.823 5.449 ( -2.944 8.394 -7.474) 11.619 5.837 ( 9.934 -8.258 5.399) 14.001 6.005 ( 0.669 -4.890 2.369) 5.474 6.032 ( -0.927 -4.181 0.033) 4.283 6.117 ( 1.411 -4.099 -4.962) 6.588 6.183 ( 5.120 2.719 3.932) 7.005 6.408 ( -10.512 1.093 -2.550) 10.872 6.644 ( 2.089 -0.440 3.327) 3.953 6.701 ( -1.558 0.273 -3.063) 3.448 7.880 ( 3.283 -0.737 0.806) 3.460 7.927 ( -1.960 -1.024 2.751) 3.530 8.264 ( 5.388 1.350 -0.837) 5.617 8.308 ( -4.251 3.937 -0.408) 5.808 8.937 ( -1.006 -2.025 0.102) 2.263 8.996 ( -2.264 1.524 -4.697) 5.432 9.264 ( -3.381 -1.478 3.189) 4.877 9.284 ( -0.524 -0.756 -5.114) 5.196 9.487 ( 2.029 -5.426 0.341) 5.803 9.530 ( -1.793 -5.179 -1.298) 5.632 9.782 ( 2.213 1.025 5.038) 5.597 9.877 ( -4.332 3.130 -1.759) 5.627 10.214 ( 10.189 -0.270 6.309) 11.987 10.370 ( -2.572 -1.174 -1.027) 3.009 10.473 ( -4.059 -5.677 3.254) 7.700 10.495 ( 1.163 -3.397 -4.242) 5.557 11.159 ( 1.309 1.533 -1.675) 2.621 11.211 ( -5.948 -0.318 -1.217) 6.080 11.400 ( 1.058 2.542 0.454) 2.791 11.444 ( -2.029 2.141 -1.485) 3.303 11.808 ( 4.231 -4.712 8.146) 10.318 11.951 ( -3.170 -3.270 -4.620) 6.487 12.244 ( 3.057 4.410 3.913) 6.641 12.305 ( -0.580 4.323 -2.692) 5.125 12.343 ( -1.368 -3.054 1.577) 3.699 12.362 ( 0.013 -2.116 -3.957) 4.487 12.748 ( 2.740 -5.361 1.580) 6.224 12.821 ( -2.462 -6.399 -1.853) 7.102 13.384 ( 3.239 1.363 -3.378) 4.874 13.422 ( -4.863 2.214 1.538) 5.560 13.842 ( 7.716 2.853 7.126) 10.883 13.957 ( 0.238 -2.938 -2.556) 3.901 14.355 ( 2.822 0.310 7.285) 7.819 14.485 ( -3.892 1.053 -6.289) 7.470 15.233 ( 2.246 6.001 3.072) 7.106 15.310 ( -2.594 5.298 -4.772) 7.587 15.491 ( 3.713 -4.687 5.553) 8.161 15.626 ( -3.351 -1.547 -5.794) 6.869 16.013 ( 8.779 7.214 1.484) 11.459 16.177 ( -9.819 7.035 0.066) 12.079 16.485 ( 3.120 -4.595 7.897) 9.655 16.619 ( -0.655 -1.297 -10.424) 10.525 17.103 ( 4.021 3.455 1.835) 5.610 17.194 ( -4.409 4.402 -1.957) 6.530 17.446 ( 4.828 0.969 1.531) 5.156 17.533 ( -4.319 0.871 -0.579) 4.444 19.975 ( -0.498 8.587 -0.742) 8.633 19.986 ( -2.165 9.126 -0.176) 9.381 20.600 ( 3.153 -8.901 -1.947) 9.642 20.624 ( -2.727 -7.781 2.126) 8.515 22.615 ( 2.519 9.988 -0.466) 10.311 22.637 ( -1.181 9.277 1.076) 9.414 23.020 ( 2.510 -9.636 -2.078) 10.172 23.050 ( -3.626 -8.667 1.061) 9.455 27.765 ( 2.639 22.209 7.641) 23.634 27.928 ( -2.554 23.765 -13.256) 27.332 28.603 ( 8.698 -21.392 2.794) 23.261 28.778 ( -10.832 -20.321 0.041) 23.027 30.976 ( 1.933 7.612 1.858) 8.070 31.002 ( 1.310 7.524 -2.059) 7.910 31.243 ( 8.285 1.596 3.685) 9.207 31.322 ( -0.712 -5.162 0.492) 5.234 31.489 ( 1.939 -1.403 1.968) 3.099 31.607 ( -4.383 0.270 -2.487) 5.047 31.852 ( 9.489 0.024 -0.266) 9.493 32.063 ( -15.419 -1.486 1.745) 15.588 33.053 ( 1.631 8.355 2.145) 8.779 33.119 ( -3.894 7.356 -1.676) 8.490 33.556 ( 2.875 -5.383 0.262) 6.108 33.586 ( -0.666 -5.125 -0.272) 5.175 35.457 ( 1.166 1.476 0.759) 2.028 35.479 ( -0.698 1.551 -0.123) 1.706 35.880 ( 0.724 0.315 -0.596) 0.989 35.899 ( -2.273 0.836 0.004) 2.421 36.361 ( -2.998 6.250 5.421) 8.800 36.388 ( 3.150 7.123 -6.828) 10.358 37.608 ( 17.952 -10.680 -6.824) 21.975 37.808 ( -16.409 -14.378 6.501) 22.766 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.931 9.055 -8.946) 12.763 1.878 ( -0.931 9.055 8.946) 12.763 2.191 ( 2.034 3.557 -15.688) 16.215 2.191 ( -2.034 3.557 15.688) 16.215 2.980 ( -0.565 9.558 -2.619) 9.926 2.980 ( 0.565 9.558 2.619) 9.926 3.271 ( -4.748 2.147 -6.917) 8.660 3.271 ( 4.748 2.147 6.917) 8.660 3.607 ( -0.344 0.898 -10.581) 10.624 3.607 ( 0.344 0.898 10.581) 10.624 3.764 ( -7.038 -1.027 -5.510) 8.997 3.764 ( 7.038 -1.027 5.510) 8.997 4.044 ( -2.748 -0.683 -2.891) 4.047 4.044 ( 2.748 -0.683 2.891) 4.047 4.445 ( 0.258 0.128 -10.914) 10.918 4.445 ( -0.258 0.128 10.914) 10.918 4.825 ( -6.632 -1.152 -8.589) 10.912 4.825 ( 6.632 -1.152 8.589) 10.912 5.054 ( -4.788 8.791 -10.050) 14.185 5.054 ( 4.788 8.791 10.050) 14.185 5.328 ( 2.883 -3.432 -2.515) 5.140 5.328 ( -2.883 -3.432 2.515) 5.140 6.058 ( -2.325 0.511 0.455) 2.424 6.058 ( 2.325 0.511 -0.455) 2.424 6.144 ( -10.887 -8.978 -5.135) 15.017 6.144 ( 10.887 -8.978 5.135) 15.017 6.335 ( -2.140 -5.998 -8.063) 10.275 6.335 ( 2.140 -5.998 8.063) 10.275 6.678 ( -2.795 -0.576 -3.271) 4.341 6.678 ( 2.795 -0.576 3.271) 4.341 7.927 ( -4.433 -0.922 -0.604) 4.567 7.927 ( 4.433 -0.922 0.604) 4.567 8.247 ( -0.726 1.301 -2.792) 3.165 8.247 ( 0.726 1.301 2.792) 3.165 9.005 ( -0.558 -5.339 -2.986) 6.143 9.005 ( 0.558 -5.339 2.986) 6.143 9.270 ( 1.763 0.580 -3.060) 3.579 9.270 ( -1.763 0.580 3.060) 3.579 9.603 ( -1.660 -4.210 -0.685) 4.577 9.603 ( 1.660 -4.210 0.685) 4.577 9.795 ( -0.116 2.045 -1.085) 2.318 9.795 ( 0.116 2.045 1.085) 2.318 10.252 ( -7.612 5.355 -4.380) 10.286 10.252 ( 7.612 5.355 4.380) 10.286 10.603 ( 3.889 -7.626 -4.665) 9.749 10.603 ( -3.889 -7.626 4.665) 9.749 11.184 ( -5.810 -2.179 -0.048) 6.205 11.184 ( 5.810 -2.179 0.048) 6.205 11.380 ( 2.135 1.621 -4.205) 4.987 11.380 ( -2.135 1.621 4.205) 4.987 11.892 ( -3.846 2.629 -3.850) 6.043 11.892 ( 3.846 2.629 3.850) 6.043 12.281 ( 1.452 -5.036 -4.452) 6.877 12.281 ( -1.452 -5.036 4.452) 6.877 12.445 ( -0.920 -6.638 -4.288) 7.956 12.445 ( 0.920 -6.638 4.288) 7.956 12.846 ( -1.964 -0.595 -3.514) 4.069 12.846 ( 1.964 -0.595 3.514) 4.069 13.395 ( 4.603 -1.617 -3.776) 6.169 13.395 ( -4.603 -1.617 3.776) 6.169 13.837 ( -5.921 7.739 -4.948) 10.929 13.837 ( 5.921 7.739 4.948) 10.929 14.467 ( -4.298 -4.032 -3.606) 6.909 14.467 ( 4.298 -4.032 3.606) 6.909 15.155 ( -1.675 6.954 -3.661) 8.036 15.155 ( 1.675 6.954 3.661) 8.036 15.523 ( 1.217 7.622 -4.345) 8.857 15.523 ( -1.217 7.622 4.345) 8.857 15.975 ( -9.656 6.252 -4.535) 12.364 15.975 ( 9.656 6.252 4.535) 12.364 16.609 ( -0.292 -4.136 -5.202) 6.652 16.609 ( 0.292 -4.136 5.202) 6.652 17.076 ( -1.754 3.516 -2.544) 4.681 17.076 ( 1.754 3.516 2.544) 4.681 17.466 ( -4.825 2.119 -2.106) 5.675 17.466 ( 4.825 2.119 2.106) 5.675 19.836 ( -0.521 5.950 -3.666) 7.008 19.836 ( 0.521 5.950 3.666) 7.008 20.765 ( 2.120 -8.321 -3.276) 9.191 20.765 ( -2.120 -8.321 3.276) 9.191 22.447 ( 1.976 10.286 -2.191) 10.701 22.447 ( -1.976 10.286 2.191) 10.701 23.188 ( 3.875 -8.089 -5.150) 10.343 23.188 ( -3.875 -8.089 5.150) 10.343 27.434 ( -1.800 21.660 -7.939) 23.139 27.434 ( 1.800 21.660 7.939) 23.139 29.055 ( -8.503 -19.520 -2.481) 21.436 29.055 ( 8.503 -19.520 2.481) 21.436 30.875 ( 0.192 5.642 -2.251) 6.077 30.875 ( -0.192 5.642 2.251) 6.077 31.254 ( -5.787 7.596 -7.902) 12.395 31.254 ( 5.787 7.596 7.902) 12.395 31.572 ( -6.797 -3.241 -0.810) 7.574 31.572 ( 6.797 -3.241 0.810) 7.574 31.974 ( -7.805 -2.005 -2.134) 8.336 31.974 ( 7.805 -2.005 2.134) 8.336 32.932 ( -2.057 8.602 -3.782) 9.619 32.932 ( 2.057 8.602 3.782) 9.619 33.661 ( 4.486 -4.148 -8.093) 10.140 33.661 ( -4.486 -4.148 8.093) 10.140 35.440 ( -0.355 1.673 -0.684) 1.842 35.440 ( 0.355 1.673 0.684) 1.842 35.862 ( 2.213 2.248 -4.037) 5.124 35.862 ( -2.213 2.248 4.037) 5.124 36.258 ( 2.337 5.218 -2.750) 6.344 36.258 ( -2.337 5.218 2.750) 6.344 37.971 ( -19.848 -15.502 4.777) 25.634 37.971 ( 19.848 -15.502 -4.777) 25.634 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 13.411 0.000 -21.915) 25.693 1.740 ( 17.745 0.000 -30.643) 35.410 2.402 ( -6.997 -0.000 -16.022) 17.483 2.495 ( -8.725 -0.000 -1.573) 8.866 2.569 ( 12.967 0.000 -20.611) 24.351 2.910 ( 9.578 0.000 6.937) 11.827 3.154 ( 6.050 0.000 3.880) 7.187 3.352 ( 6.817 0.000 13.941) 15.518 3.414 ( -10.918 -0.000 -5.093) 12.047 3.457 ( -2.726 -0.000 7.387) 7.874 3.563 ( 0.990 0.000 3.216) 3.365 3.716 ( -1.054 -0.000 -2.982) 3.163 3.953 ( -10.658 -0.000 2.308) 10.905 3.961 ( 5.838 0.000 0.147) 5.840 4.289 ( 0.440 0.000 -7.423) 7.436 4.592 ( -1.953 -0.000 11.909) 12.068 4.663 ( 3.250 0.000 12.815) 13.221 4.961 ( -0.366 -0.000 10.188) 10.195 5.036 ( 0.761 0.000 -6.831) 6.874 5.042 ( -7.027 -0.000 -1.248) 7.137 5.474 ( -4.637 -0.000 -7.168) 8.537 5.703 ( 11.088 0.000 13.687) 17.614 5.749 ( -0.462 -0.000 -7.525) 7.539 5.774 ( -8.358 -0.000 -6.962) 10.878 6.036 ( -9.919 -0.000 1.111) 9.981 6.118 ( -12.576 -0.000 2.295) 12.784 6.296 ( -6.244 -0.000 -4.336) 7.602 6.529 ( -2.677 -0.000 -6.454) 6.988 6.844 ( 5.591 0.000 -2.996) 6.343 6.920 ( 3.604 0.000 0.633) 3.659 7.818 ( 5.446 0.000 2.599) 6.035 8.226 ( 2.977 0.000 2.781) 4.074 8.378 ( 4.382 0.000 2.120) 4.868 8.444 ( -3.084 -0.000 2.357) 3.881 8.903 ( -4.900 -0.000 2.002) 5.293 9.043 ( -2.954 -0.000 1.250) 3.207 9.249 ( 0.109 0.000 -4.799) 4.800 9.261 ( 0.095 0.000 -6.381) 6.382 9.491 ( -2.003 -0.000 -1.071) 2.271 9.553 ( -3.674 -0.000 -0.703) 3.741 9.834 ( 4.787 0.000 -7.084) 8.550 9.840 ( -3.417 -0.000 -0.011) 3.417 10.207 ( 11.526 0.000 4.053) 12.218 10.314 ( 2.633 0.000 2.476) 3.614 10.845 ( 4.768 0.000 -7.070) 8.528 10.908 ( -7.344 -0.000 4.305) 8.513 11.113 ( -0.179 -0.000 -0.034) 0.182 11.307 ( -5.499 -0.000 5.468) 7.755 11.445 ( 0.092 0.000 0.224) 0.242 11.583 ( -1.833 -0.000 -8.570) 8.764 11.893 ( 16.843 0.000 -3.002) 17.109 11.966 ( -2.940 -0.000 -4.944) 5.752 12.112 ( -6.117 -0.000 -6.424) 8.871 12.320 ( -4.948 -0.000 1.187) 5.088 12.421 ( -1.841 -0.000 -0.923) 2.060 12.590 ( 2.924 0.000 11.089) 11.468 12.916 ( -1.507 -0.000 3.236) 3.570 12.920 ( 11.769 0.000 5.696) 13.075 13.397 ( -3.824 -0.000 0.546) 3.862 13.529 ( 3.789 0.000 -2.348) 4.458 13.538 ( -2.747 -0.000 1.754) 3.259 13.743 ( -0.101 -0.000 -1.871) 1.874 14.262 ( -11.983 -0.000 -6.603) 13.682 14.472 ( 0.631 0.000 1.535) 1.659 14.540 ( -0.446 -0.000 2.058) 2.106 15.016 ( 0.259 0.000 -1.462) 1.485 15.072 ( -6.719 -0.000 1.884) 6.979 15.144 ( 2.069 0.000 -3.963) 4.470 15.704 ( 10.321 0.000 0.048) 10.322 16.383 ( 5.834 0.000 0.801) 5.888 16.652 ( -5.744 -0.000 -1.701) 5.990 16.689 ( -3.575 -0.000 -3.265) 4.841 16.944 ( -3.160 -0.000 0.806) 3.261 16.964 ( 0.190 0.000 -0.566) 0.597 17.208 ( 0.037 0.000 0.191) 0.194 17.565 ( 1.500 0.000 -3.126) 3.467 19.759 ( 6.722 0.000 1.265) 6.840 20.147 ( 5.574 0.000 3.752) 6.719 20.947 ( 2.374 0.000 -1.068) 2.604 21.011 ( -0.528 -0.000 2.774) 2.824 22.091 ( -5.860 -0.000 3.988) 7.088 22.231 ( -0.052 -0.000 -5.245) 5.245 23.370 ( 2.688 0.000 -4.216) 5.000 23.371 ( -3.098 -0.000 3.209) 4.460 26.969 ( 0.352 0.000 0.133) 0.376 26.975 ( 0.177 0.000 0.326) 0.370 29.397 ( 2.974 0.000 0.747) 3.066 29.565 ( 1.316 0.000 -4.526) 4.713 30.267 ( -2.976 -0.000 -0.333) 2.995 30.717 ( -1.819 -0.000 2.159) 2.823 30.798 ( -2.640 -0.000 3.799) 4.626 31.193 ( 6.313 0.000 -1.147) 6.416 31.514 ( -1.388 -0.000 4.979) 5.169 31.960 ( 1.129 0.000 -1.910) 2.218 32.098 ( 12.584 0.000 -19.414) 23.136 32.137 ( 2.351 0.000 -0.765) 2.472 32.604 ( 0.998 0.000 -3.996) 4.119 32.845 ( 9.454 0.000 -12.762) 15.882 33.667 ( 2.492 0.000 -5.640) 6.166 33.747 ( -7.700 -0.000 7.615) 10.829 35.372 ( -1.527 -0.000 2.033) 2.543 35.406 ( 1.514 0.000 -2.857) 3.233 35.710 ( 2.661 0.000 -6.089) 6.645 35.813 ( -5.761 -0.000 5.227) 7.779 36.193 ( 4.115 0.000 1.367) 4.336 36.431 ( 2.157 0.000 7.935) 8.223 37.688 ( -19.557 -0.000 17.872) 26.493 38.864 ( -0.696 -0.000 -4.907) 4.956 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 15.788 -16.261 -14.507) 26.910 1.844 ( 18.595 -16.393 -20.392) 32.099 2.248 ( -8.854 -2.516 -2.120) 9.446 2.473 ( -10.986 -9.068 -9.149) 16.930 2.619 ( 19.013 -2.939 -20.542) 28.144 2.946 ( -2.756 7.368 11.640) 14.048 3.094 ( 4.299 6.392 0.540) 7.722 3.201 ( 1.386 4.745 -9.717) 10.902 3.371 ( 0.450 3.677 2.363) 4.394 3.542 ( -4.134 -2.431 11.504) 12.464 3.656 ( -3.961 1.757 -6.510) 7.820 3.807 ( -7.151 2.302 2.323) 7.863 3.901 ( 3.009 -8.871 2.598) 9.721 4.081 ( 7.969 -7.539 3.373) 11.477 4.283 ( 2.680 -0.308 -1.089) 2.909 4.656 ( -2.806 -2.496 10.909) 11.538 4.825 ( 2.728 0.119 14.022) 14.285 4.928 ( -5.361 1.803 -2.214) 6.074 5.010 ( 1.057 -2.270 9.958) 10.268 5.077 ( -1.251 -4.627 -2.451) 5.384 5.389 ( -4.791 -0.106 -5.899) 7.600 5.654 ( -5.534 1.004 -6.989) 8.971 5.709 ( -3.700 0.164 -6.062) 7.104 5.826 ( 4.092 -1.045 3.404) 5.424 5.938 ( -2.408 2.622 -3.232) 4.808 6.070 ( -9.558 -0.664 2.573) 9.920 6.231 ( -5.002 0.519 0.119) 5.030 6.457 ( -3.092 0.636 -6.376) 7.115 6.786 ( 7.903 7.418 -0.711) 10.862 6.930 ( 1.574 2.676 0.563) 3.155 7.865 ( 5.620 1.678 4.878) 7.628 8.135 ( -3.858 7.993 -2.108) 9.122 8.362 ( -2.503 3.880 -0.929) 4.710 8.473 ( 3.012 -1.974 3.778) 5.219 8.918 ( 0.233 -0.252 4.163) 4.177 9.075 ( -3.119 -3.925 1.875) 5.352 9.194 ( 1.178 1.076 -4.014) 4.319 9.237 ( -1.754 -2.742 -8.101) 8.731 9.463 ( -2.145 -0.856 -1.996) 3.053 9.527 ( -5.050 -0.172 -2.936) 5.844 9.805 ( 1.820 1.700 -3.271) 4.111 9.853 ( 3.017 -1.724 -0.820) 3.570 10.277 ( 8.715 4.530 3.152) 10.316 10.324 ( 0.609 2.696 1.435) 3.114 10.728 ( -11.361 6.079 -1.590) 12.983 10.787 ( 3.289 5.702 -7.000) 9.610 11.205 ( -1.971 -7.537 -0.361) 7.799 11.266 ( -4.930 2.461 4.588) 7.170 11.435 ( -1.520 -0.315 -0.457) 1.619 11.530 ( -0.773 -0.405 -9.776) 9.814 11.824 ( 0.046 4.387 -7.293) 8.511 11.866 ( 7.259 7.972 -5.685) 12.189 12.173 ( 8.315 0.267 2.381) 8.653 12.313 ( -3.049 1.343 7.111) 7.852 12.414 ( 0.144 -2.454 1.686) 2.981 12.671 ( 2.560 3.601 6.776) 8.089 12.804 ( 5.089 12.536 1.031) 13.569 12.911 ( -3.105 0.523 2.483) 4.010 13.370 ( -2.369 -0.468 1.400) 2.792 13.531 ( -0.721 -0.188 2.463) 2.573 13.576 ( 2.624 0.848 -2.939) 4.030 13.766 ( -8.293 -8.430 -8.901) 14.801 14.226 ( 8.572 3.543 6.835) 11.522 14.562 ( -0.143 -2.445 0.529) 2.505 14.818 ( 0.159 -22.264 6.133) 23.094 15.082 ( -3.711 -8.471 0.275) 9.252 15.127 ( -5.600 -11.263 2.116) 12.755 15.216 ( 1.937 -8.537 0.910) 8.801 15.843 ( 10.402 -5.406 -0.353) 11.728 16.340 ( -1.707 5.611 -3.788) 6.982 16.541 ( -3.797 3.520 1.165) 5.307 16.633 ( -3.900 3.373 -1.682) 5.423 16.919 ( 1.174 -2.357 1.256) 2.918 17.055 ( -0.367 -6.030 0.441) 6.057 17.278 ( 1.433 -5.520 0.643) 5.739 17.548 ( -0.858 -0.394 -4.605) 4.701 19.858 ( 7.187 -3.695 1.890) 8.299 20.143 ( 2.437 3.990 0.864) 4.755 20.895 ( 2.300 6.822 -1.367) 7.328 20.948 ( -1.204 7.440 2.169) 7.842 22.149 ( -5.211 -8.101 4.828) 10.775 22.254 ( 0.333 -6.245 -7.198) 9.536 23.309 ( -2.013 5.485 0.875) 5.908 23.328 ( -0.185 3.888 -2.296) 4.519 27.076 ( 1.335 -11.327 -0.117) 11.406 27.190 ( -4.321 -21.297 3.777) 22.057 29.253 ( 3.139 16.430 2.326) 16.888 29.456 ( 0.563 9.824 -5.907) 11.477 30.467 ( 9.498 -11.981 10.839) 18.741 30.761 ( -1.044 -4.595 3.656) 5.964 30.824 ( -2.577 -3.010 3.849) 5.524 31.276 ( 5.362 -3.625 -0.552) 6.496 31.574 ( -2.616 -5.379 3.921) 7.152 31.862 ( -1.209 7.142 -4.318) 8.433 31.948 ( 4.524 11.572 -5.755) 13.693 32.172 ( 5.741 -1.322 -16.534) 17.553 32.701 ( 3.998 -9.455 -2.701) 10.614 32.909 ( 5.306 -7.861 -10.197) 13.926 33.636 ( 1.956 2.490 -4.047) 5.139 33.702 ( -7.088 2.798 5.895) 9.634 35.385 ( -0.431 -1.162 1.721) 2.121 35.412 ( 1.032 -1.126 -1.948) 2.475 35.733 ( 3.158 -3.495 -6.174) 7.766 35.824 ( -6.032 -3.320 4.682) 8.326 36.261 ( 4.325 -2.502 2.475) 5.576 36.466 ( 0.554 1.160 5.020) 5.182 37.630 ( -12.881 5.230 22.943) 26.826 38.611 ( -4.329 17.254 -15.527) 23.612 ======================= Grid point 221 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 18.394 -14.873 -2.299) 23.766 2.294 ( 15.117 -16.481 -6.258) 23.223 2.407 ( 1.870 -13.496 7.331) 15.472 2.546 ( -3.807 -14.518 -9.722) 17.883 2.675 ( 0.126 -7.629 -10.438) 12.930 2.836 ( -6.638 5.217 5.295) 9.965 3.083 ( 3.081 2.746 1.240) 4.310 3.107 ( -3.876 -4.215 -7.954) 9.801 3.353 ( 8.008 2.381 -0.252) 8.359 3.558 ( -0.700 1.077 -3.891) 4.098 3.582 ( -7.789 -0.652 3.791) 8.687 3.698 ( -4.117 3.090 0.416) 5.165 3.984 ( 2.082 -1.038 -4.828) 5.360 4.190 ( -5.063 0.600 -2.632) 5.738 4.346 ( 7.723 0.104 3.443) 8.457 4.665 ( -13.139 4.894 4.014) 14.584 4.839 ( 5.431 1.626 8.568) 10.273 4.869 ( 3.145 3.255 7.196) 8.501 5.080 ( 0.143 3.139 0.205) 3.149 5.197 ( -2.578 -3.908 4.259) 6.329 5.373 ( -0.146 -3.644 -0.526) 3.684 5.577 ( -2.394 -0.377 -9.333) 9.643 5.647 ( -1.148 -1.083 -2.894) 3.296 5.847 ( 1.280 0.149 5.826) 5.967 5.939 ( -8.425 -9.030 -9.911) 15.835 6.017 ( 1.713 3.231 -0.376) 3.676 6.208 ( -1.349 0.120 4.017) 4.239 6.401 ( -2.102 0.371 -4.115) 4.636 6.744 ( 6.213 4.609 3.960) 8.691 6.870 ( -0.593 4.333 1.107) 4.511 7.911 ( 3.671 0.556 5.315) 6.484 7.967 ( -1.650 5.743 -1.097) 6.075 8.268 ( -0.006 3.376 -0.970) 3.513 8.504 ( -1.344 0.665 -1.741) 2.298 8.926 ( 2.834 1.374 2.170) 3.825 9.124 ( 0.541 -0.378 3.033) 3.104 9.201 ( -2.135 -2.644 -1.942) 3.914 9.296 ( 1.055 -6.915 -4.688) 8.421 9.418 ( -7.017 0.722 -6.081) 9.313 9.472 ( -3.035 -0.138 -2.046) 3.663 9.811 ( 5.793 -0.241 2.894) 6.480 9.896 ( 2.183 -0.193 0.642) 2.284 10.188 ( -0.141 9.376 -1.271) 9.463 10.240 ( -3.023 4.196 -0.257) 5.178 10.596 ( -4.801 2.612 0.717) 5.512 10.641 ( 2.519 7.202 -5.873) 9.629 11.229 ( -1.748 1.718 6.218) 6.683 11.329 ( 1.370 -7.005 -1.295) 7.254 11.432 ( -0.862 -0.368 -4.731) 4.823 11.485 ( 3.381 -0.124 -4.971) 6.013 11.716 ( 0.751 5.604 -4.315) 7.112 11.750 ( -1.413 3.500 -2.839) 4.723 12.197 ( 5.021 2.891 2.762) 6.418 12.347 ( -0.897 -2.131 5.163) 5.657 12.473 ( 1.357 -2.028 0.339) 2.464 12.569 ( 0.474 7.530 0.229) 7.548 12.688 ( 1.040 6.877 4.372) 8.215 12.868 ( -3.946 2.395 -1.808) 4.957 13.442 ( 1.784 -3.558 3.923) 5.589 13.514 ( 1.208 1.598 0.296) 2.024 13.556 ( -0.185 -0.246 -0.438) 0.536 13.758 ( -9.343 -4.568 -8.935) 13.711 14.338 ( 14.518 -0.464 7.050) 16.146 14.622 ( 0.104 -3.449 -0.262) 3.461 15.014 ( 1.551 -4.047 1.911) 4.737 15.217 ( -5.121 -8.343 -1.214) 9.864 15.409 ( -6.119 -11.332 6.661) 14.499 15.411 ( -0.025 -11.241 1.455) 11.335 16.005 ( 7.970 -5.655 -2.142) 10.005 16.195 ( -3.861 2.812 -4.144) 6.324 16.461 ( 1.622 6.053 -0.071) 6.267 16.584 ( -8.207 -3.001 4.095) 9.650 17.027 ( 3.076 -5.008 2.596) 6.425 17.153 ( -1.328 -5.061 0.128) 5.234 17.395 ( 2.591 -4.697 0.802) 5.424 17.529 ( -1.820 -1.582 -3.566) 4.305 20.005 ( 5.793 -5.827 0.864) 8.262 20.108 ( 1.051 0.899 0.691) 1.546 20.744 ( 1.033 10.301 -0.839) 10.387 20.776 ( -1.417 10.815 0.611) 10.924 22.327 ( -4.093 -12.135 4.716) 13.647 22.372 ( 1.620 -10.384 -6.965) 12.608 23.173 ( -2.329 8.193 2.213) 8.800 23.212 ( -0.467 6.793 -3.308) 7.570 27.376 ( 4.466 -19.164 0.156) 19.678 27.587 ( -10.411 -25.014 4.132) 27.407 28.956 ( 3.296 20.931 4.506) 21.662 29.177 ( -0.535 16.897 -7.671) 18.564 30.764 ( 4.800 -8.033 4.018) 10.184 30.874 ( -3.300 -6.100 2.993) 7.554 31.001 ( 7.518 -9.746 16.217) 20.359 31.370 ( 5.688 -2.466 -1.109) 6.298 31.636 ( -2.980 3.591 -4.496) 6.480 31.689 ( -3.450 4.801 -2.488) 6.414 31.782 ( 0.802 4.510 6.794) 8.194 32.098 ( 2.609 -0.161 -22.852) 23.001 32.913 ( 5.683 -10.378 -1.376) 11.912 33.062 ( 0.068 -10.389 -4.179) 11.198 33.562 ( 0.481 5.161 -0.527) 5.210 33.617 ( -4.179 4.061 2.085) 6.189 35.420 ( 0.602 -1.741 0.674) 1.961 35.440 ( 0.218 -2.149 -0.537) 2.225 35.795 ( 3.507 -3.612 -4.831) 6.977 35.876 ( -5.408 -4.239 3.012) 7.502 36.365 ( 2.958 -3.966 2.942) 5.756 36.471 ( -0.169 0.029 1.975) 1.983 37.562 ( -6.900 8.449 23.988) 26.352 38.128 ( -1.431 19.528 -22.225) 29.620 ======================= Grid point 222 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 16.064 -11.699 9.573) 22.058 2.368 ( 3.252 2.872 -1.666) 4.647 2.629 ( -5.739 -0.178 -4.595) 7.354 2.735 ( -2.482 -5.472 -11.383) 12.871 2.802 ( 16.918 0.163 11.379) 20.389 2.917 ( -3.446 -15.804 5.596) 17.116 3.008 ( -3.137 -5.863 1.096) 6.739 3.215 ( -15.571 -6.619 -5.893) 17.917 3.391 ( 6.679 -2.013 -0.040) 6.976 3.520 ( -3.658 1.137 -2.368) 4.503 3.573 ( 8.318 -7.134 -2.091) 11.156 3.726 ( -4.961 -9.819 -1.605) 11.117 3.963 ( 0.294 3.237 0.319) 3.266 4.073 ( -6.921 6.104 -3.399) 9.835 4.301 ( 7.480 7.976 -0.098) 10.935 4.471 ( -13.163 4.041 -1.318) 13.832 4.829 ( 1.726 2.026 4.441) 5.177 4.936 ( 0.297 5.648 -5.487) 7.880 4.995 ( 6.132 0.563 6.730) 9.122 5.159 ( -5.403 1.836 -2.993) 6.444 5.468 ( 5.670 -1.461 2.314) 6.296 5.548 ( -0.447 0.491 -0.767) 1.015 5.712 ( 4.637 -3.935 4.422) 7.519 5.915 ( -5.347 -2.824 1.293) 6.184 5.932 ( -2.300 -2.534 -1.704) 3.823 6.017 ( -0.179 -3.377 -8.057) 8.738 6.251 ( 2.588 -0.588 5.180) 5.820 6.360 ( -3.277 -0.575 -3.488) 4.820 6.731 ( 2.571 3.987 4.744) 6.709 6.791 ( -1.155 3.954 -0.653) 4.171 7.899 ( 2.374 1.845 0.251) 3.018 7.942 ( -1.033 0.870 3.153) 3.430 8.262 ( 5.458 0.326 2.547) 6.032 8.427 ( -5.619 1.888 -5.428) 8.038 8.950 ( 5.502 1.974 5.162) 7.798 9.118 ( -2.095 2.426 -0.559) 3.254 9.225 ( -1.389 -2.104 -1.746) 3.067 9.255 ( -4.887 1.203 -8.078) 9.517 9.417 ( 0.267 -2.959 0.082) 2.972 9.445 ( -2.251 0.353 -0.414) 2.316 9.857 ( 1.576 2.530 3.840) 4.861 9.947 ( -0.884 0.665 -4.898) 5.022 10.026 ( 4.613 0.814 7.241) 8.624 10.190 ( -4.718 -3.438 -3.614) 6.866 10.506 ( 0.363 5.286 2.962) 6.070 10.558 ( 0.558 2.392 -4.171) 4.840 11.236 ( -1.142 1.357 7.439) 7.648 11.315 ( 1.536 3.768 -9.587) 10.415 11.481 ( 6.889 1.523 -1.323) 7.179 11.544 ( -1.698 -5.374 5.659) 7.987 11.588 ( 1.720 4.394 -1.559) 4.970 11.722 ( -6.723 -6.088 -4.718) 10.224 12.219 ( 5.008 0.370 3.207) 5.959 12.348 ( -6.409 0.898 -2.670) 7.001 12.503 ( 5.678 1.587 0.894) 5.963 12.540 ( -0.120 -4.482 2.176) 4.984 12.608 ( 0.186 4.856 3.947) 6.261 12.713 ( -5.036 8.719 -5.504) 11.475 13.454 ( 4.374 2.037 -0.336) 4.837 13.513 ( -4.650 2.008 2.315) 5.569 13.661 ( 4.541 -8.896 0.109) 9.988 13.751 ( -4.873 -5.656 -2.404) 7.843 14.465 ( 12.753 2.743 3.957) 13.631 14.634 ( -5.183 1.466 -0.174) 5.390 15.148 ( 3.112 -7.499 4.605) 9.334 15.282 ( -6.023 -7.169 -5.114) 10.668 15.461 ( 1.874 2.366 1.990) 3.615 15.529 ( -3.884 -1.448 -1.453) 4.392 16.155 ( 1.891 -6.932 1.179) 7.282 16.182 ( -0.940 -3.430 -1.077) 3.716 16.412 ( 8.804 2.576 -1.122) 9.242 16.562 ( -11.118 -0.121 1.297) 11.194 17.133 ( 3.539 -2.266 2.513) 4.896 17.209 ( -3.038 -3.199 -1.265) 4.590 17.472 ( 3.564 -0.819 0.739) 3.731 17.533 ( -2.781 -1.633 -1.139) 3.420 20.134 ( 1.429 -2.238 1.171) 2.902 20.143 ( 1.531 -4.044 -0.563) 4.360 20.557 ( -0.493 9.900 2.130) 10.138 20.584 ( -0.556 8.229 -2.363) 8.580 22.547 ( -1.060 -12.149 1.480) 12.284 22.558 ( 0.425 -12.025 -2.532) 12.296 23.024 ( -0.696 8.384 2.575) 8.798 23.056 ( -0.633 7.921 -2.856) 8.444 27.800 ( 7.722 -22.089 0.678) 23.410 27.941 ( -10.531 -21.986 1.486) 24.423 28.629 ( 2.982 21.686 6.903) 22.952 28.772 ( -2.819 21.006 -9.663) 23.293 30.946 ( 3.098 -8.606 0.343) 9.153 30.989 ( -3.221 -8.288 1.405) 9.002 31.247 ( 5.137 1.881 12.519) 13.662 31.399 ( 0.017 7.099 -6.678) 9.746 31.503 ( 6.108 -1.625 3.687) 7.318 31.587 ( -0.461 3.385 0.487) 3.451 31.839 ( -4.246 -2.990 7.998) 9.537 31.991 ( -1.808 -1.316 -18.810) 18.942 33.112 ( 5.374 -6.868 -0.436) 8.731 33.194 ( -4.217 -6.655 -1.200) 7.969 33.479 ( 2.070 4.262 1.290) 4.911 33.525 ( -2.599 3.344 -0.263) 4.243 35.459 ( 0.714 -1.428 0.824) 1.796 35.475 ( -0.206 -1.777 -0.598) 1.886 35.852 ( 3.641 -1.895 -2.532) 4.823 35.901 ( -4.843 -1.523 1.248) 5.228 36.460 ( -0.102 -2.315 4.503) 5.064 36.492 ( 1.452 -1.306 -2.319) 3.032 37.510 ( -1.382 6.267 18.195) 19.293 37.722 ( -0.820 10.681 -18.301) 21.206 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -2.620 7.900 -7.718) 11.350 2.300 ( 2.620 7.900 7.718) 11.350 2.581 ( -5.532 12.126 -4.310) 14.008 2.581 ( 5.532 12.126 4.310) 14.008 2.972 ( -11.534 -4.218 -3.614) 12.801 2.972 ( 11.534 -4.218 3.614) 12.801 3.228 ( -7.727 -9.758 -1.052) 12.491 3.228 ( 7.727 -9.758 1.052) 12.491 3.545 ( 5.237 -6.483 -5.727) 10.112 3.545 ( -5.237 -6.483 5.727) 10.112 3.739 ( -1.336 5.956 -12.646) 14.042 3.739 ( 1.336 5.956 12.646) 14.042 3.955 ( -8.936 -6.274 -0.302) 10.922 3.955 ( 8.936 -6.274 0.302) 10.922 4.354 ( -6.644 -4.081 -3.437) 8.521 4.354 ( 6.644 -4.081 3.437) 8.521 4.837 ( -1.407 1.613 -6.188) 6.547 4.837 ( 1.407 1.613 6.188) 6.547 5.057 ( -6.834 1.024 -4.826) 8.428 5.057 ( 6.834 1.024 4.826) 8.428 5.501 ( -2.174 3.001 -3.847) 5.341 5.501 ( 2.174 3.001 3.847) 5.341 5.862 ( -8.773 -2.084 -6.569) 11.157 5.862 ( 8.773 -2.084 6.569) 11.157 6.020 ( -1.170 -3.195 -7.140) 7.909 6.020 ( 1.170 -3.195 7.140) 7.909 6.309 ( -7.844 0.421 -3.783) 8.719 6.309 ( 7.844 0.421 3.783) 8.719 6.703 ( -0.732 2.973 -3.819) 4.895 6.703 ( 0.732 2.973 3.819) 4.895 7.912 ( -2.430 0.601 -1.530) 2.934 7.912 ( 2.430 0.601 1.530) 2.934 8.323 ( -3.797 1.208 -4.918) 6.330 8.323 ( 3.797 1.208 4.918) 6.330 8.983 ( -5.508 3.317 -6.463) 9.117 8.983 ( 5.508 3.317 6.463) 9.117 9.239 ( 2.361 -1.539 -4.578) 5.376 9.239 ( -2.361 -1.539 4.578) 5.376 9.442 ( -0.059 -1.511 -2.256) 2.715 9.442 ( 0.059 -1.511 2.256) 2.715 9.854 ( -4.516 1.346 -1.300) 4.889 9.854 ( 4.516 1.346 1.300) 4.889 10.227 ( -7.017 -7.560 -4.483) 11.247 10.227 ( 7.017 -7.560 4.483) 11.247 10.474 ( -1.558 2.665 -7.153) 7.791 10.474 ( 1.558 2.665 7.153) 7.791 11.216 ( 3.563 3.476 -6.646) 8.304 11.216 ( -3.563 3.476 6.646) 8.304 11.463 ( -1.996 2.948 -1.771) 3.976 11.463 ( 1.996 2.948 1.771) 3.976 11.773 ( -5.301 -7.759 -7.533) 12.043 11.773 ( 5.301 -7.759 7.533) 12.043 12.283 ( -2.957 -1.206 -2.687) 4.173 12.283 ( 2.957 -1.206 2.687) 4.173 12.455 ( -4.617 10.373 -5.423) 12.583 12.455 ( 4.617 10.373 5.423) 12.583 12.655 ( -0.210 -7.328 -1.931) 7.581 12.655 ( 0.210 -7.328 1.931) 7.581 13.442 ( 3.481 2.700 -2.248) 4.946 13.442 ( -3.481 2.700 2.248) 4.946 13.847 ( 0.396 -7.411 -3.245) 8.100 13.847 ( -0.396 -7.411 3.245) 8.100 14.485 ( -5.031 5.727 -6.269) 9.870 14.485 ( 5.031 5.727 6.269) 9.870 15.327 ( -1.266 -2.097 -3.005) 3.877 15.327 ( 1.266 -2.097 3.005) 3.877 15.467 ( -6.375 -2.028 -2.407) 7.110 15.467 ( 6.375 -2.028 2.407) 7.110 16.209 ( -4.830 3.090 -2.282) 6.171 16.209 ( 4.830 3.090 2.282) 6.171 16.489 ( -3.309 -3.008 -8.616) 9.708 16.489 ( 3.309 -3.008 8.616) 9.708 17.193 ( -4.452 0.702 -2.345) 5.081 17.193 ( 4.452 0.702 2.346) 5.081 17.507 ( -4.378 0.641 -1.216) 4.588 17.507 ( 4.378 0.641 1.216) 4.588 20.125 ( -0.483 6.181 -0.436) 6.216 20.125 ( 0.483 6.181 0.436) 6.216 20.502 ( -3.322 -2.620 0.374) 4.247 20.502 ( 3.322 -2.620 -0.374) 4.247 22.721 ( 1.324 -3.542 -3.108) 4.894 22.721 ( -1.324 -3.542 3.108) 4.894 22.924 ( -1.043 1.349 -1.801) 2.480 22.924 ( 1.043 1.349 1.801) 2.480 28.176 ( -0.913 1.990 -6.179) 6.556 28.176 ( 0.913 1.990 6.179) 6.556 28.383 ( -4.946 -0.844 -3.145) 5.922 28.383 ( 4.946 -0.844 3.145) 5.922 31.093 ( -0.515 -1.388 -1.268) 1.950 31.093 ( 0.515 -1.388 1.268) 1.950 31.231 ( -2.539 1.421 -2.609) 3.908 31.231 ( 2.539 1.421 2.609) 3.908 31.575 ( -1.015 0.928 -4.190) 4.410 31.575 ( 1.015 0.928 4.190) 4.410 31.920 ( 2.018 -1.965 -13.234) 13.531 31.920 ( -2.018 -1.965 13.234) 13.531 33.188 ( -0.213 2.982 -1.566) 3.375 33.188 ( 0.213 2.982 1.566) 3.375 33.493 ( 3.883 -2.973 -2.377) 5.437 33.493 ( -3.883 -2.973 2.377) 5.437 35.485 ( -0.474 -0.046 -1.116) 1.214 35.485 ( 0.474 -0.046 1.116) 1.214 35.887 ( 1.820 -0.221 -2.445) 3.056 35.887 ( -1.820 -0.221 2.445) 3.056 36.472 ( 3.755 3.331 -8.032) 9.471 36.472 ( -3.755 3.331 8.032) 9.471 37.561 ( -1.037 -3.148 -9.086) 9.672 37.561 ( 1.037 -3.148 9.086) 9.672 ======================= Grid point 231 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 21.537 0.000 -11.013) 24.190 1.742 ( 20.470 0.000 -20.213) 28.768 2.013 ( -19.597 -0.000 -9.945) 21.976 2.243 ( -15.737 -0.000 -4.732) 16.433 2.700 ( 29.947 0.000 -18.329) 35.111 3.050 ( -7.415 -0.000 9.622) 12.148 3.174 ( -3.710 -0.000 -6.148) 7.181 3.199 ( -1.004 -0.000 -2.104) 2.331 3.535 ( -5.960 -0.000 13.777) 15.011 3.625 ( -1.285 -0.000 0.687) 1.457 3.634 ( 4.067 0.000 4.056) 5.744 3.649 ( 3.596 0.000 1.499) 3.896 3.877 ( -1.482 -0.000 4.773) 4.998 4.103 ( 7.273 0.000 -1.818) 7.497 4.310 ( 4.841 0.000 3.223) 5.815 4.619 ( -7.733 -0.000 1.152) 7.818 4.875 ( 2.140 0.000 8.221) 8.495 4.973 ( 4.202 0.000 11.046) 11.819 5.012 ( 3.709 0.000 -3.601) 5.170 5.065 ( -1.501 -0.000 8.596) 8.726 5.304 ( -4.340 -0.000 -6.813) 8.078 5.560 ( -8.146 -0.000 -3.854) 9.012 5.656 ( -3.179 -0.000 -7.770) 8.395 5.761 ( -10.553 -0.000 -6.515) 12.402 5.943 ( 1.056 0.000 0.489) 1.163 6.098 ( 2.085 0.000 5.002) 5.420 6.210 ( -2.603 -0.000 2.345) 3.503 6.385 ( -4.636 -0.000 -8.036) 9.277 6.895 ( 4.381 0.000 -0.469) 4.406 6.973 ( 2.646 0.000 -0.769) 2.755 7.934 ( 1.938 0.000 3.752) 4.223 8.137 ( -10.952 -0.000 -2.807) 11.306 8.405 ( 2.143 0.000 -1.366) 2.542 8.487 ( 1.805 0.000 4.412) 4.767 8.961 ( 1.988 0.000 4.752) 5.151 8.978 ( -6.176 -0.000 -2.368) 6.615 9.166 ( 4.353 0.000 -8.109) 9.204 9.220 ( 2.906 0.000 -1.955) 3.502 9.402 ( -6.446 -0.000 -2.441) 6.892 9.478 ( -4.700 -0.000 -1.908) 5.073 9.812 ( 4.985 0.000 -7.162) 8.726 9.852 ( 0.059 0.000 4.602) 4.602 10.364 ( 0.401 0.000 1.097) 1.168 10.421 ( 7.642 0.000 2.003) 7.900 10.658 ( -13.977 -0.000 -1.900) 14.106 10.823 ( 1.532 0.000 -6.665) 6.838 11.105 ( 1.961 0.000 -2.023) 2.818 11.269 ( -8.698 -0.000 6.161) 10.659 11.401 ( -3.524 -0.000 -1.442) 3.808 11.468 ( 0.120 0.000 -9.066) 9.066 11.814 ( 2.075 0.000 -3.512) 4.079 11.981 ( 4.265 0.000 -10.881) 11.687 12.270 ( 10.684 0.000 5.988) 12.248 12.371 ( 2.441 0.000 10.238) 10.525 12.465 ( 3.906 0.000 5.897) 7.073 12.736 ( 0.059 0.000 6.375) 6.375 12.898 ( -3.593 -0.000 0.988) 3.726 12.991 ( -3.588 -0.000 -6.298) 7.248 13.347 ( -2.006 -0.000 0.241) 2.020 13.516 ( -6.941 -0.000 -4.446) 8.243 13.546 ( 0.273 0.000 2.242) 2.258 13.608 ( -0.438 -0.000 -4.068) 4.092 14.503 ( 1.002 0.000 1.469) 1.779 14.512 ( 17.301 0.000 19.027) 25.717 14.551 ( 3.557 0.000 3.482) 4.978 14.996 ( 0.530 0.000 -2.956) 3.003 15.008 ( -5.022 -0.000 3.028) 5.864 15.138 ( 0.769 0.000 -3.269) 3.359 15.880 ( 10.458 0.000 3.021) 10.886 16.345 ( -5.787 -0.000 -7.229) 9.260 16.561 ( -3.911 -0.000 0.287) 3.921 16.606 ( -2.170 -0.000 -2.865) 3.594 16.940 ( 0.548 0.000 1.898) 1.976 16.980 ( 1.369 0.000 -0.167) 1.379 17.242 ( 2.363 0.000 2.773) 3.644 17.495 ( -3.160 -0.000 -6.556) 7.277 19.901 ( 7.716 0.000 3.534) 8.487 20.178 ( -2.193 -0.000 -2.311) 3.186 20.977 ( 2.758 0.000 -0.874) 2.893 21.021 ( -1.601 -0.000 1.915) 2.496 22.065 ( -4.639 -0.000 6.082) 7.649 22.154 ( 0.589 0.000 -8.039) 8.060 23.347 ( 1.811 0.000 -5.066) 5.380 23.351 ( -3.745 -0.000 2.991) 4.793 26.978 ( 0.387 0.000 0.162) 0.419 26.981 ( 0.106 0.000 0.246) 0.267 29.436 ( 0.972 0.000 0.115) 0.979 29.514 ( -0.569 -0.000 -4.652) 4.687 30.578 ( 16.537 0.000 26.366) 31.123 30.727 ( -0.086 -0.000 2.004) 2.006 30.806 ( -1.328 -0.000 6.403) 6.539 31.283 ( 6.993 0.000 -2.207) 7.333 31.517 ( -3.135 -0.000 1.814) 3.622 31.827 ( -3.928 -0.000 -20.257) 20.634 32.086 ( 7.219 0.000 -7.689) 10.547 32.148 ( 0.009 0.000 -0.769) 0.769 32.611 ( 1.984 0.000 1.266) 2.354 32.794 ( 4.920 0.000 -15.220) 15.995 33.654 ( 3.049 0.000 -4.209) 5.197 33.705 ( -7.157 -0.000 5.783) 9.202 35.381 ( -1.159 -0.000 2.972) 3.190 35.400 ( 1.859 0.000 -2.963) 3.498 35.694 ( 3.706 0.000 -5.135) 6.333 35.766 ( -6.707 -0.000 4.179) 7.902 36.296 ( 6.196 0.000 2.285) 6.603 36.489 ( -2.622 -0.000 2.222) 3.437 37.757 ( -5.341 -0.000 28.926) 29.415 38.601 ( -11.473 -0.000 -21.703) 24.549 ======================= Grid point 232 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 20.014 -17.467 -0.158) 26.564 1.929 ( 9.648 -17.529 -10.340) 22.523 2.036 ( -8.803 -21.083 -8.011) 24.210 2.158 ( -16.485 -7.910 -0.433) 18.289 2.789 ( 22.397 6.097 -9.731) 25.169 2.951 ( -8.396 8.561 7.290) 14.033 3.068 ( 2.041 2.713 -3.199) 4.665 3.151 ( -6.097 2.381 -1.408) 6.695 3.471 ( -0.146 5.327 5.563) 7.703 3.524 ( -2.188 3.955 -4.361) 6.281 3.669 ( 4.202 0.725 7.230) 8.394 3.745 ( -1.424 1.936 -1.445) 2.804 3.948 ( 3.399 -2.605 2.256) 4.840 4.105 ( -6.907 -0.597 -3.477) 7.756 4.406 ( 6.808 -2.281 5.835) 9.252 4.576 ( -8.189 -2.300 -4.500) 9.623 4.964 ( 4.517 -0.088 8.861) 9.946 5.021 ( 4.494 0.899 4.525) 6.440 5.102 ( 0.473 -1.476 -0.776) 1.733 5.131 ( -1.996 -3.091 7.865) 8.683 5.297 ( 6.481 -4.485 0.803) 7.922 5.507 ( -2.409 -0.079 -0.621) 2.489 5.565 ( -3.481 -1.056 -8.743) 9.470 5.656 ( -15.106 -3.682 -10.974) 19.031 5.950 ( 3.689 3.204 8.402) 9.720 6.078 ( 0.273 3.406 -4.678) 5.793 6.228 ( 1.272 -0.873 4.075) 4.357 6.331 ( -4.176 -2.031 -5.859) 7.476 6.889 ( 3.855 4.133 2.828) 6.320 6.944 ( 0.201 3.607 -1.401) 3.875 7.950 ( 0.075 0.726 2.266) 2.381 8.011 ( -6.041 2.956 -2.256) 7.094 8.374 ( 6.050 4.798 1.725) 7.912 8.495 ( -3.637 1.408 -1.230) 4.089 8.970 ( -0.528 -2.837 3.597) 4.612 9.026 ( -0.912 -5.338 -4.344) 6.943 9.178 ( 5.314 -0.116 -3.151) 6.180 9.242 ( 1.440 0.265 2.613) 2.996 9.351 ( -3.504 -0.367 -2.316) 4.216 9.423 ( -5.433 0.201 -2.571) 6.014 9.837 ( 6.399 -1.628 -2.378) 7.018 9.891 ( -2.167 -2.167 3.144) 4.391 10.318 ( -1.946 5.550 0.465) 5.900 10.337 ( -1.084 8.196 -4.438) 9.383 10.621 ( -0.048 1.501 6.564) 6.734 10.729 ( -0.964 5.288 -7.071) 8.882 11.197 ( 4.004 -7.095 -1.152) 8.228 11.258 ( -5.958 -2.446 5.461) 8.444 11.381 ( -2.213 -0.982 0.107) 2.424 11.421 ( 0.140 -0.167 -8.209) 8.212 11.795 ( 3.518 4.183 -0.506) 5.489 11.870 ( -0.888 7.010 -5.493) 8.950 12.337 ( 8.834 4.131 2.205) 9.999 12.396 ( -0.881 3.652 6.581) 7.578 12.517 ( 5.429 2.261 6.503) 8.767 12.680 ( -5.330 6.561 -3.283) 9.068 12.830 ( 0.742 5.992 -0.676) 6.076 12.862 ( -2.855 1.519 -0.974) 3.377 13.386 ( 2.645 -4.782 1.871) 5.777 13.498 ( -7.437 -5.077 -1.809) 9.185 13.576 ( 0.416 0.256 -3.192) 3.230 13.584 ( -0.664 0.071 -0.280) 0.724 14.473 ( 7.767 1.691 4.079) 8.935 14.554 ( -1.610 -2.102 -0.237) 2.658 14.983 ( 8.305 -7.037 4.667) 11.844 15.052 ( -2.920 -6.203 1.886) 7.110 15.089 ( -1.399 -16.984 6.473) 18.230 15.215 ( -2.295 -10.772 -3.301) 11.498 16.007 ( 8.773 -2.019 3.726) 9.743 16.197 ( -7.016 3.882 -7.232) 10.798 16.518 ( -1.483 1.771 2.560) 3.448 16.557 ( -2.364 2.057 -2.608) 4.077 16.988 ( 3.646 -3.608 2.304) 5.623 17.046 ( -1.402 -5.253 -0.588) 5.468 17.332 ( 3.063 -4.609 3.402) 6.496 17.445 ( -3.803 -2.087 -6.034) 7.432 19.997 ( 6.524 -1.819 3.409) 7.583 20.117 ( -3.487 1.206 -3.064) 4.796 20.920 ( 2.507 7.621 -1.038) 8.089 20.943 ( -2.041 7.747 1.405) 8.134 22.144 ( -3.861 -7.846 6.765) 11.056 22.183 ( 2.006 -7.049 -8.047) 10.885 23.288 ( -0.242 5.094 -0.717) 5.149 23.296 ( -1.288 4.564 -0.537) 4.772 27.105 ( 2.543 -13.430 -0.065) 13.669 27.149 ( -3.853 -17.178 1.022) 17.634 29.317 ( 2.004 13.367 2.656) 13.775 29.386 ( -1.431 10.746 -4.726) 11.827 30.737 ( 3.466 -1.751 3.220) 5.045 30.782 ( -2.493 -2.963 1.636) 4.203 31.037 ( 11.015 -7.663 30.447) 33.272 31.342 ( 5.642 -3.118 -7.123) 9.607 31.542 ( -3.076 -4.116 0.432) 5.156 31.662 ( -6.491 -0.054 -18.513) 19.618 31.988 ( 3.031 10.153 1.523) 10.704 32.065 ( 0.114 6.343 -8.483) 10.593 32.757 ( 3.188 -10.477 2.506) 11.234 32.843 ( 0.397 -9.694 -8.342) 12.795 33.634 ( 3.340 2.581 -3.477) 5.469 33.659 ( -5.566 2.645 4.349) 7.543 35.400 ( -0.460 -1.213 1.772) 2.196 35.408 ( 0.954 -1.197 -1.662) 2.259 35.732 ( 5.060 -3.447 -4.971) 7.886 35.773 ( -6.646 -3.649 4.309) 8.720 36.368 ( 5.825 -1.224 1.982) 6.273 36.463 ( -4.249 0.145 0.143) 4.254 37.842 ( 0.220 7.749 30.433) 31.405 38.251 ( -7.717 12.543 -27.804) 31.463 ======================= Grid point 233 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -17.584 -16.013 -9.496) 25.609 2.129 ( 17.584 -16.013 9.496) 25.609 2.457 ( 7.232 -24.924 -10.572) 28.023 2.457 ( -7.232 -24.924 10.572) 28.023 2.771 ( -7.725 2.583 0.414) 8.156 2.771 ( 7.725 2.583 -0.414) 8.156 3.043 ( -1.420 3.137 -4.295) 5.505 3.043 ( 1.420 3.137 4.295) 5.505 3.459 ( 0.101 -0.394 -5.771) 5.786 3.459 ( -0.101 -0.394 5.771) 5.786 3.647 ( -3.673 5.721 -0.066) 6.799 3.647 ( 3.673 5.721 0.066) 6.799 4.026 ( -7.990 -0.686 -2.443) 8.383 4.026 ( 7.990 -0.686 2.443) 8.383 4.486 ( -6.116 3.705 -2.641) 7.623 4.486 ( 6.116 3.705 2.641) 7.623 4.988 ( -3.246 6.971 -10.220) 12.790 4.988 ( 3.246 6.971 10.220) 12.790 5.096 ( -8.463 -0.051 -3.400) 9.120 5.096 ( 8.463 -0.051 3.400) 9.120 5.524 ( -6.523 -0.313 -5.383) 8.464 5.524 ( 6.523 -0.313 5.383) 8.464 5.623 ( -6.620 -12.268 -6.370) 15.327 5.623 ( 6.620 -12.268 6.370) 15.327 5.975 ( -0.242 1.980 -9.817) 10.017 5.975 ( 0.242 1.980 9.817) 10.017 6.298 ( -4.056 -0.939 -5.227) 6.683 6.298 ( 4.056 -0.939 5.227) 6.683 6.849 ( -0.147 4.604 -4.205) 6.237 6.849 ( 0.147 4.604 4.205) 6.237 7.944 ( -0.827 1.097 -0.407) 1.433 7.944 ( 0.827 1.097 0.407) 1.433 8.379 ( -8.336 3.104 -5.127) 10.267 8.379 ( 8.336 3.104 5.127) 10.267 9.063 ( -3.016 -1.658 -8.246) 8.935 9.063 ( 3.016 -1.658 8.246) 8.935 9.207 ( -4.694 0.125 -0.175) 4.699 9.207 ( 4.694 0.125 0.175) 4.699 9.385 ( -3.013 -2.209 -2.409) 4.446 9.385 ( 3.013 -2.209 2.409) 4.446 9.921 ( 3.100 -1.987 -4.794) 6.045 9.921 ( -3.100 -1.987 4.794) 6.045 10.162 ( -0.327 8.198 -2.723) 8.644 10.162 ( 0.327 8.198 2.723) 8.644 10.603 ( 0.326 4.113 -4.729) 6.275 10.603 ( -0.326 4.113 4.729) 6.275 11.296 ( 2.083 -0.285 -10.058) 10.276 11.296 ( -2.083 -0.285 10.058) 10.276 11.443 ( -1.326 -7.011 -4.645) 8.514 11.443 ( 1.326 -7.011 4.645) 8.514 11.702 ( -0.871 7.672 -0.873) 7.771 11.702 ( 0.871 7.672 0.873) 7.771 12.320 ( -6.177 3.407 -0.227) 7.058 12.320 ( 6.177 3.407 0.227) 7.058 12.529 ( -1.391 2.257 -3.320) 4.249 12.529 ( 1.391 2.257 3.320) 4.249 12.771 ( -2.819 5.078 -4.641) 7.435 12.771 ( 2.819 5.078 4.641) 7.435 13.534 ( 3.284 2.236 -3.138) 5.063 13.534 ( -3.284 2.236 3.138) 5.063 13.560 ( -6.447 -7.010 -4.170) 10.397 13.560 ( 6.447 -7.010 4.170) 10.397 14.568 ( -6.673 -2.377 -2.414) 7.483 14.568 ( 6.673 -2.377 2.414) 7.483 15.108 ( -3.708 -4.198 -5.018) 7.520 15.108 ( 3.708 -4.198 5.018) 7.520 15.406 ( 2.316 -10.835 -4.383) 11.915 15.406 ( -2.316 -10.835 4.383) 11.915 16.096 ( -2.189 -1.457 -2.330) 3.513 16.096 ( 2.189 -1.457 2.330) 3.513 16.506 ( 2.504 1.028 -2.363) 3.593 16.506 ( -2.504 1.028 2.363) 3.593 17.109 ( -3.152 -4.488 -1.871) 5.794 17.109 ( 3.152 -4.488 1.871) 5.794 17.454 ( -2.319 -3.941 -2.897) 5.413 17.454 ( 2.319 -3.941 2.897) 5.413 20.088 ( -3.175 -2.552 -0.879) 4.167 20.088 ( 3.175 -2.552 0.879) 4.167 20.758 ( 2.034 11.088 -2.754) 11.605 20.758 ( -2.034 11.088 2.754) 11.605 22.333 ( 3.803 -11.568 -7.000) 14.046 22.333 ( -3.803 -11.568 7.000) 14.046 23.176 ( 3.347 7.280 -5.626) 9.790 23.176 ( -3.347 7.280 5.626) 9.790 27.468 ( -7.601 -21.891 0.477) 23.178 27.468 ( 7.601 -21.891 -0.477) 23.178 29.066 ( -2.890 19.103 -6.387) 20.349 29.066 ( 2.890 19.103 6.387) 20.349 30.839 ( -2.007 -5.884 -0.471) 6.235 30.839 ( 2.007 -5.884 0.471) 6.235 31.355 ( -1.697 -3.819 -19.467) 19.911 31.355 ( 1.697 -3.819 19.467) 19.911 31.575 ( -3.984 0.586 -0.557) 4.065 31.575 ( 3.984 0.586 0.557) 4.065 31.894 ( 0.202 3.957 -13.661) 14.224 31.894 ( -0.202 3.957 13.661) 14.224 32.993 ( -2.741 -10.618 -2.761) 11.308 32.993 ( 2.741 -10.618 2.761) 11.308 33.580 ( 3.051 4.359 -4.168) 6.759 33.580 ( -3.051 4.359 4.168) 6.759 35.435 ( 0.528 -1.963 -1.199) 2.360 35.435 ( -0.528 -1.963 1.199) 2.360 35.821 ( 5.321 -3.932 -5.366) 8.519 35.821 ( -5.321 -3.932 5.366) 8.519 36.443 ( -0.772 -1.936 -2.943) 3.606 36.443 ( 0.772 -1.936 2.943) 3.606 37.817 ( -0.972 13.313 -26.865) 29.998 37.817 ( 0.972 13.313 26.865) 29.998 ======================= Grid point 243 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -22.388 -0.000 -0.179) 22.389 1.607 ( 22.388 0.000 0.179) 22.389 1.946 ( -21.112 -0.000 5.130) 21.726 1.946 ( 21.112 0.000 -5.130) 21.726 2.981 ( 21.361 0.000 -8.630) 23.038 2.981 ( -21.361 -0.000 8.630) 23.038 3.110 ( -3.604 -0.000 -2.169) 4.207 3.110 ( 3.604 0.000 2.169) 4.207 3.569 ( 5.194 0.000 -9.231) 10.592 3.569 ( -5.194 -0.000 9.231) 10.592 3.695 ( -0.512 -0.000 -0.627) 0.809 3.695 ( 0.512 0.000 0.627) 0.809 4.023 ( -8.283 -0.000 -5.993) 10.224 4.023 ( 8.283 0.000 5.993) 10.224 4.462 ( -4.537 -0.000 -8.596) 9.720 4.462 ( 4.537 0.000 8.596) 9.720 4.995 ( -2.892 -0.000 -5.588) 6.292 4.995 ( 2.892 0.000 5.588) 6.292 5.106 ( 5.220 0.000 -2.385) 5.739 5.106 ( -5.220 -0.000 2.385) 5.739 5.414 ( -18.831 -0.000 -8.609) 20.705 5.414 ( 18.831 0.000 8.609) 20.705 5.525 ( 1.548 0.000 -9.642) 9.765 5.525 ( -1.548 -0.000 9.642) 9.765 6.066 ( -3.187 -0.000 -9.248) 9.782 6.066 ( 3.187 0.000 9.248) 9.782 6.247 ( -2.187 -0.000 -4.645) 5.134 6.247 ( 2.187 0.000 4.645) 5.134 6.963 ( -1.281 -0.000 -2.949) 3.216 6.963 ( 1.281 0.000 2.949) 3.216 7.982 ( -3.241 -0.000 -2.519) 4.105 7.982 ( 3.241 0.000 2.519) 4.105 8.474 ( -5.336 -0.000 -0.910) 5.413 8.474 ( 5.336 0.000 0.910) 5.413 8.941 ( -2.351 -0.000 -2.656) 3.547 8.941 ( 2.351 0.000 2.656) 3.547 9.231 ( -6.922 -0.000 0.556) 6.944 9.231 ( 6.922 0.000 -0.556) 6.944 9.367 ( -5.528 -0.000 -2.998) 6.289 9.367 ( 5.528 0.000 2.998) 6.289 9.850 ( 6.438 0.000 -3.597) 7.374 9.850 ( -6.438 -0.000 3.597) 7.374 10.377 ( -1.078 -0.000 -2.771) 2.974 10.377 ( 1.078 0.000 2.771) 2.974 10.714 ( -3.902 -0.000 -8.949) 9.763 10.714 ( 3.902 0.000 8.949) 9.763 11.166 ( -8.894 -0.000 2.519) 9.244 11.166 ( 8.894 0.000 -2.519) 9.244 11.392 ( 1.090 0.000 -5.648) 5.752 11.392 ( -1.090 -0.000 5.648) 5.752 11.879 ( -3.620 -0.000 -4.582) 5.839 11.879 ( 3.620 0.000 4.582) 5.839 12.446 ( -5.097 -0.000 0.492) 5.121 12.446 ( 5.097 0.000 -0.492) 5.121 12.656 ( -9.016 -0.000 -7.391) 11.658 12.656 ( 9.016 0.000 7.391) 11.658 12.872 ( 0.388 0.000 -3.180) 3.203 12.872 ( -0.388 -0.000 3.180) 3.203 13.371 ( -3.784 -0.000 -2.462) 4.514 13.371 ( 3.784 0.000 2.462) 4.514 13.581 ( -0.850 -0.000 -1.888) 2.071 13.581 ( 0.850 0.000 1.888) 2.071 14.531 ( -1.147 -0.000 -0.321) 1.191 14.531 ( 1.147 0.000 0.321) 1.191 14.967 ( -4.165 -0.000 -3.243) 5.279 14.967 ( 4.165 0.000 3.243) 5.279 15.020 ( -3.677 -0.000 -12.163) 12.707 15.020 ( 3.677 0.000 12.163) 12.707 16.109 ( -9.556 -0.000 -10.185) 13.966 16.109 ( 9.556 0.000 10.185) 13.966 16.552 ( -0.729 -0.000 -2.080) 2.204 16.552 ( 0.729 0.000 2.080) 2.204 16.977 ( -0.758 -0.000 -1.461) 1.646 16.977 ( 0.758 0.000 1.461) 1.646 17.351 ( -4.762 -0.000 -6.326) 7.918 17.351 ( 4.762 0.000 6.326) 7.918 20.062 ( -6.450 -0.000 -4.795) 8.037 20.062 ( 6.450 0.000 4.795) 8.037 21.007 ( 2.409 0.000 -1.167) 2.677 21.007 ( -2.409 -0.000 1.167) 2.677 22.087 ( 2.725 0.000 -7.958) 8.412 22.087 ( -2.725 -0.000 7.958) 8.412 23.333 ( 3.137 0.000 -3.852) 4.967 23.333 ( -3.137 -0.000 3.852) 4.967 26.982 ( 0.120 0.000 -0.049) 0.130 26.982 ( -0.120 -0.000 0.049) 0.130 29.460 ( -1.077 -0.000 -2.139) 2.395 29.460 ( 1.077 0.000 2.139) 2.395 30.749 ( -1.268 -0.000 0.326) 1.309 30.749 ( 1.268 0.000 -0.326) 1.309 31.227 ( -3.566 -0.000 -30.791) 30.996 31.227 ( 3.566 0.000 30.791) 30.996 31.511 ( -2.714 -0.000 -7.336) 7.822 31.511 ( 2.714 0.000 7.336) 7.822 32.123 ( -3.180 -0.000 1.054) 3.351 32.123 ( 3.180 0.000 -1.054) 3.351 32.687 ( -0.216 -0.000 -8.799) 8.801 32.687 ( 0.216 0.000 8.799) 8.801 33.667 ( 5.069 0.000 -4.549) 6.811 33.667 ( -5.069 -0.000 4.549) 6.811 35.394 ( 1.695 0.000 -3.055) 3.494 35.394 ( -1.695 -0.000 3.055) 3.494 35.714 ( 5.745 0.000 -4.221) 7.129 35.714 ( -5.745 -0.000 4.221) 7.129 36.418 ( -6.182 -0.000 -1.411) 6.341 36.418 ( 6.182 0.000 1.411) 6.341 38.131 ( -7.330 -0.000 -31.558) 32.398 38.131 ( 7.330 0.000 31.558) 32.398 =================== 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 3/41472 10.0 696.760 293.507 536.548 0.000 133.410 0.000 3/41472 20.0 98.287 76.102 79.261 0.000 20.589 0.000 3/41472 30.0 37.627 32.428 30.242 0.000 7.612 0.000 3/41472 40.0 21.002 18.626 16.974 0.000 4.092 0.000 3/41472 50.0 14.028 12.556 11.491 0.000 2.688 0.000 3/41472 60.0 10.388 9.313 8.632 0.000 1.985 0.000 3/41472 70.0 8.206 7.344 6.903 0.000 1.576 0.000 3/41472 80.0 6.769 6.040 5.749 0.000 1.309 0.000 3/41472 90.0 5.758 5.121 4.926 0.000 1.122 0.000 3/41472 100.0 5.012 4.443 4.309 0.000 0.984 0.000 3/41472 110.0 4.439 3.926 3.831 0.000 0.877 0.000 3/41472 120.0 3.987 3.520 3.450 0.000 0.792 0.000 3/41472 130.0 3.622 3.194 3.140 0.000 0.724 0.000 3/41472 140.0 3.321 2.929 2.883 0.000 0.667 0.000 3/41472 150.0 3.069 2.708 2.666 0.000 0.619 0.000 3/41472 160.0 2.855 2.523 2.482 0.000 0.578 0.000 3/41472 170.0 2.672 2.366 2.323 0.000 0.542 0.000 3/41472 180.0 2.512 2.232 2.185 0.000 0.511 0.000 3/41472 190.0 2.373 2.116 2.064 0.000 0.483 0.000 3/41472 200.0 2.250 2.014 1.958 0.000 0.458 0.000 3/41472 210.0 2.141 1.926 1.863 0.000 0.435 0.000 3/41472 220.0 2.044 1.847 1.779 0.000 0.415 0.000 3/41472 230.0 1.956 1.777 1.703 0.000 0.396 0.000 3/41472 240.0 1.877 1.715 1.635 0.000 0.379 0.000 3/41472 250.0 1.806 1.659 1.574 0.000 0.363 0.000 3/41472 260.0 1.741 1.608 1.518 0.000 0.349 0.000 3/41472 270.0 1.681 1.562 1.467 0.000 0.335 0.000 3/41472 280.0 1.627 1.520 1.420 0.000 0.322 0.000 3/41472 290.0 1.577 1.481 1.377 0.000 0.310 0.000 3/41472 300.0 1.530 1.445 1.338 0.000 0.299 0.000 3/41472 310.0 1.487 1.412 1.302 0.000 0.288 0.000 3/41472 320.0 1.447 1.381 1.268 0.000 0.278 0.000 3/41472 330.0 1.410 1.352 1.236 0.000 0.268 0.000 3/41472 340.0 1.375 1.325 1.207 0.000 0.259 0.000 3/41472 350.0 1.343 1.299 1.180 0.000 0.251 0.000 3/41472 360.0 1.312 1.274 1.154 0.000 0.243 0.000 3/41472 370.0 1.283 1.251 1.129 0.000 0.235 0.000 3/41472 380.0 1.255 1.229 1.107 0.000 0.228 0.000 3/41472 390.0 1.229 1.208 1.085 0.000 0.221 0.000 3/41472 400.0 1.205 1.188 1.064 0.000 0.214 0.000 3/41472 410.0 1.181 1.169 1.045 0.000 0.207 0.000 3/41472 420.0 1.159 1.151 1.026 0.000 0.201 0.000 3/41472 430.0 1.137 1.133 1.008 0.000 0.196 0.000 3/41472 440.0 1.117 1.115 0.991 0.000 0.190 0.000 3/41472 450.0 1.097 1.099 0.975 0.000 0.185 0.000 3/41472 460.0 1.078 1.083 0.959 0.000 0.180 0.000 3/41472 470.0 1.060 1.067 0.944 0.000 0.175 0.000 3/41472 480.0 1.043 1.052 0.929 0.000 0.170 0.000 3/41472 490.0 1.026 1.037 0.915 0.000 0.166 0.000 3/41472 500.0 1.010 1.023 0.901 0.000 0.162 0.000 3/41472 510.0 0.994 1.009 0.888 0.000 0.158 0.000 3/41472 520.0 0.979 0.996 0.876 0.000 0.154 0.000 3/41472 530.0 0.964 0.982 0.863 0.000 0.150 0.000 3/41472 540.0 0.950 0.970 0.851 0.000 0.146 0.000 3/41472 550.0 0.936 0.957 0.840 0.000 0.143 0.000 3/41472 560.0 0.923 0.945 0.829 0.000 0.140 0.000 3/41472 570.0 0.910 0.933 0.818 0.000 0.136 0.000 3/41472 580.0 0.898 0.921 0.807 0.000 0.133 0.000 3/41472 590.0 0.885 0.910 0.797 0.000 0.130 0.000 3/41472 600.0 0.873 0.899 0.786 0.000 0.128 0.000 3/41472 610.0 0.862 0.888 0.777 0.000 0.125 0.000 3/41472 620.0 0.851 0.877 0.767 0.000 0.122 0.000 3/41472 630.0 0.840 0.867 0.758 0.000 0.120 0.000 3/41472 640.0 0.829 0.857 0.748 0.000 0.117 0.000 3/41472 650.0 0.819 0.847 0.740 0.000 0.115 0.000 3/41472 660.0 0.808 0.837 0.731 0.000 0.113 0.000 3/41472 670.0 0.798 0.828 0.722 0.000 0.110 0.000 3/41472 680.0 0.789 0.818 0.714 0.000 0.108 0.000 3/41472 690.0 0.779 0.809 0.706 0.000 0.106 0.000 3/41472 700.0 0.770 0.800 0.698 0.000 0.104 0.000 3/41472 710.0 0.761 0.791 0.690 0.000 0.102 0.000 3/41472 720.0 0.752 0.783 0.682 0.000 0.101 0.000 3/41472 730.0 0.744 0.774 0.675 0.000 0.099 0.000 3/41472 740.0 0.735 0.766 0.668 0.000 0.097 0.000 3/41472 750.0 0.727 0.758 0.660 0.000 0.095 0.000 3/41472 760.0 0.719 0.750 0.653 0.000 0.094 0.000 3/41472 770.0 0.711 0.742 0.647 0.000 0.092 0.000 3/41472 780.0 0.703 0.735 0.640 0.000 0.091 0.000 3/41472 790.0 0.696 0.727 0.633 0.000 0.089 0.000 3/41472 800.0 0.688 0.720 0.627 0.000 0.088 0.000 3/41472 810.0 0.681 0.712 0.620 0.000 0.086 0.000 3/41472 820.0 0.674 0.705 0.614 0.000 0.085 0.000 3/41472 830.0 0.667 0.698 0.608 0.000 0.084 0.000 3/41472 840.0 0.660 0.691 0.602 0.000 0.083 0.000 3/41472 850.0 0.653 0.685 0.596 0.000 0.081 0.000 3/41472 860.0 0.647 0.678 0.590 0.000 0.080 0.000 3/41472 870.0 0.640 0.672 0.585 0.000 0.079 0.000 3/41472 880.0 0.634 0.665 0.579 0.000 0.078 0.000 3/41472 890.0 0.628 0.659 0.573 0.000 0.077 0.000 3/41472 900.0 0.622 0.653 0.568 0.000 0.076 0.000 3/41472 910.0 0.616 0.647 0.563 0.000 0.075 0.000 3/41472 920.0 0.610 0.641 0.558 0.000 0.074 0.000 3/41472 930.0 0.604 0.635 0.552 0.000 0.073 0.000 3/41472 940.0 0.599 0.629 0.547 0.000 0.072 0.000 3/41472 950.0 0.593 0.623 0.543 0.000 0.071 0.000 3/41472 960.0 0.587 0.618 0.538 0.000 0.070 0.000 3/41472 970.0 0.582 0.612 0.533 0.000 0.069 0.000 3/41472 980.0 0.577 0.607 0.528 0.000 0.068 0.000 3/41472 990.0 0.572 0.602 0.524 0.000 0.067 0.000 3/41472 1000.0 0.567 0.596 0.519 0.000 0.066 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:23:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|