----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:09:49]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.652959904149651 2.686387653189331 2.400387469999997 b -4.652959904149641 2.686387653189331 2.400387469999997 c 0.000000000000005 -5.372775306378670 2.400387469999997 Atomic positions (fractional): *1 B 0.50000000000000 0.94337538267072 0.05662461732928 10.811 2 B 0.05662461732928 0.50000000000000 0.94337538267072 10.811 3 B 0.94337538267072 0.05662461732928 0.50000000000000 10.811 *4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 *5 O 0.62929816805861 0.77953037971427 0.02873179500264 15.999 6 O 0.97126820499736 0.22046962028573 0.37070183194139 15.999 7 O 0.22046962028573 0.37070183194140 0.97126820499736 15.999 8 O 0.37070183194139 0.97126820499736 0.22046962028573 15.999 *9 O 0.35102510587669 0.64897489412332 0.50000000000000 15.999 10 O 0.64897489412331 0.50000000000000 0.35102510587669 15.999 11 O 0.50000000000000 0.35102510587669 0.64897489412331 15.999 *12 O 0.09193466574958 0.90806533425042 0.50000000000000 15.999 13 O 0.90806533425042 0.50000000000000 0.09193466574958 15.999 14 O 0.50000000000000 0.09193466574958 0.90806533425042 15.999 15 O 0.77953037971427 0.02873179500264 0.62929816805861 15.999 16 O 0.02873179500264 0.62929816805861 0.77953037971427 15.999 *17 Al 0.00000000000000 0.55557587244881 0.44442412755119 26.982 18 Al 0.44442412755119 0.00000000000000 0.55557587244881 26.982 19 Al 0.55557587244881 0.44442412755119 0.00000000000000 26.982 *20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.305919808299294 0.000000000000000 0.000000000000000 b -4.652959904149647 8.059162959568001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.201162410000000 Atomic positions (fractional): *1 B 0.00000000000000 0.44337538267072 0.50000000000000 10.811 > 1 2 B 0.55662461732928 0.55662461732928 0.50000000000000 10.811 > 2 3 B 0.44337538267072 0.00000000000000 0.50000000000000 10.811 > 3 *4 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 4 5 B 0.66666666666667 0.77670871600405 0.83333333333333 10.811 > 1 6 B 0.22329128399595 0.88995795066261 0.83333333333333 10.811 > 2 7 B 0.11004204933739 0.33333333333333 0.83333333333333 10.811 > 3 8 B 0.66666666666667 0.33333333333333 0.83333333333333 10.811 > 4 9 B 0.33333333333333 0.11004204933739 0.16666666666667 10.811 > 1 10 B 0.88995795066261 0.22329128399595 0.16666666666667 10.811 > 2 11 B 0.77670871600405 0.66666666666667 0.16666666666667 10.811 > 3 12 B 0.33333333333333 0.66666666666667 0.16666666666667 10.811 > 4 *13 O 0.15011138713343 0.45045498592253 0.47918678092517 15.999 > 5 14 O 0.45045498592253 0.15011138713343 0.52081321907483 15.999 > 6 15 O 0.69965640121090 0.54954501407747 0.52081321907483 15.999 > 7 16 O 0.84988861286657 0.30034359878910 0.52081321907483 15.999 > 8 *17 O 0.85102510587669 0.00000000000000 0.50000000000000 15.999 > 9 18 O 0.14897489412331 0.14897489412331 0.50000000000000 15.999 > 10 19 O 0.00000000000000 0.85102510587669 0.50000000000000 15.999 > 11 *20 O 0.59193466574958 0.00000000000000 0.50000000000000 15.999 > 12 21 O 0.40806533425042 0.40806533425042 0.50000000000000 15.999 > 13 22 O 0.00000000000000 0.59193466574958 0.50000000000000 15.999 > 14 23 O 0.30034359878910 0.84988861286657 0.47918678092517 15.999 > 15 24 O 0.54954501407747 0.69965640121090 0.47918678092517 15.999 > 16 25 O 0.81677805380010 0.78378831925586 0.81252011425851 15.999 > 5 26 O 0.11712165258920 0.48344472046677 0.85414655240816 15.999 > 6 27 O 0.36632306787757 0.88287834741080 0.85414655240816 15.999 > 7 28 O 0.51655527953323 0.63367693212243 0.85414655240816 15.999 > 8 29 O 0.51769177254335 0.33333333333333 0.83333333333333 15.999 > 9 30 O 0.81564156078998 0.48230822745665 0.83333333333333 15.999 > 10 31 O 0.66666666666667 0.18435843921002 0.83333333333333 15.999 > 11 32 O 0.25860133241625 0.33333333333333 0.83333333333333 15.999 > 12 33 O 0.07473200091708 0.74139866758375 0.83333333333333 15.999 > 13 34 O 0.66666666666667 0.92526799908291 0.83333333333333 15.999 > 14 35 O 0.96701026545576 0.18322194619990 0.81252011425851 15.999 > 15 36 O 0.21621168074414 0.03298973454424 0.81252011425851 15.999 > 16 37 O 0.48344472046677 0.11712165258920 0.14585344759184 15.999 > 5 38 O 0.78378831925586 0.81677805380010 0.18747988574149 15.999 > 6 39 O 0.03298973454424 0.21621168074414 0.18747988574149 15.999 > 7 40 O 0.18322194619990 0.96701026545576 0.18747988574149 15.999 > 8 41 O 0.18435843921002 0.66666666666667 0.16666666666667 15.999 > 9 42 O 0.48230822745665 0.81564156078998 0.16666666666667 15.999 > 10 43 O 0.33333333333333 0.51769177254335 0.16666666666667 15.999 > 11 44 O 0.92526799908291 0.66666666666667 0.16666666666667 15.999 > 12 45 O 0.74139866758375 0.07473200091708 0.16666666666667 15.999 > 13 46 O 0.33333333333333 0.25860133241625 0.16666666666667 15.999 > 14 47 O 0.63367693212243 0.51655527953323 0.14585344759184 15.999 > 15 48 O 0.88287834741080 0.36632306787757 0.14585344759184 15.999 > 16 *49 Al 0.66666666666667 0.88890920578214 0.33333333333333 26.982 > 17 50 Al 0.11109079421786 0.77775746088453 0.33333333333333 26.982 > 18 51 Al 0.22224253911547 0.33333333333333 0.33333333333333 26.982 > 19 52 Al 0.33333333333333 0.22224253911547 0.66666666666667 26.982 > 17 53 Al 0.77775746088453 0.11109079421786 0.66666666666667 26.982 > 18 54 Al 0.88890920578214 0.66666666666667 0.66666666666667 26.982 > 19 55 Al 0.00000000000000 0.55557587244881 0.00000000000000 26.982 > 17 56 Al 0.44442412755119 0.44442412755119 0.00000000000000 26.982 > 18 57 Al 0.55557587244881 0.00000000000000 0.00000000000000 26.982 > 19 *58 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 59 Y 0.66666666666667 0.33333333333333 0.33333333333333 88.906 > 20 60 Y 0.33333333333333 0.66666666666667 0.66666666666667 88.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.305919808299294 0.000000000000000 0.000000000000000 b -4.652959904149647 8.059162959568001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.402324820000000 Atomic positions (fractional): *1 B 0.00000000000000 0.44337538267072 0.25000000000000 10.811 > 1 2 B 0.00000000000000 0.44337538267072 0.75000000000000 10.811 > 1 3 B 0.55662461732928 0.55662461732928 0.25000000000000 10.811 > 2 4 B 0.55662461732928 0.55662461732928 0.75000000000000 10.811 > 2 5 B 0.44337538267072 0.00000000000000 0.25000000000000 10.811 > 3 6 B 0.44337538267072 0.00000000000000 0.75000000000000 10.811 > 3 *7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 4 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 4 9 B 0.66666666666667 0.77670871600405 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.77670871600405 0.91666666666667 10.811 > 1 11 B 0.22329128399595 0.88995795066261 0.41666666666667 10.811 > 2 12 B 0.22329128399595 0.88995795066261 0.91666666666667 10.811 > 2 13 B 0.11004204933739 0.33333333333333 0.41666666666667 10.811 > 3 14 B 0.11004204933739 0.33333333333333 0.91666666666667 10.811 > 3 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 4 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 4 17 B 0.33333333333333 0.11004204933739 0.08333333333333 10.811 > 1 18 B 0.33333333333333 0.11004204933739 0.58333333333333 10.811 > 1 19 B 0.88995795066261 0.22329128399595 0.08333333333333 10.811 > 2 20 B 0.88995795066261 0.22329128399595 0.58333333333333 10.811 > 2 21 B 0.77670871600405 0.66666666666667 0.08333333333333 10.811 > 3 22 B 0.77670871600405 0.66666666666667 0.58333333333333 10.811 > 3 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 4 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 4 *25 O 0.15011138713343 0.45045498592253 0.23959339046259 15.999 > 5 26 O 0.15011138713343 0.45045498592253 0.73959339046259 15.999 > 5 27 O 0.45045498592253 0.15011138713343 0.26040660953741 15.999 > 6 28 O 0.45045498592253 0.15011138713343 0.76040660953741 15.999 > 6 29 O 0.69965640121090 0.54954501407747 0.26040660953741 15.999 > 7 30 O 0.69965640121090 0.54954501407747 0.76040660953741 15.999 > 7 31 O 0.84988861286657 0.30034359878910 0.26040660953741 15.999 > 8 32 O 0.84988861286657 0.30034359878910 0.76040660953741 15.999 > 8 *33 O 0.85102510587669 0.00000000000000 0.25000000000000 15.999 > 9 34 O 0.85102510587669 0.00000000000000 0.75000000000000 15.999 > 9 35 O 0.14897489412331 0.14897489412331 0.25000000000000 15.999 > 10 36 O 0.14897489412331 0.14897489412331 0.75000000000000 15.999 > 10 37 O 0.00000000000000 0.85102510587669 0.25000000000000 15.999 > 11 38 O 0.00000000000000 0.85102510587669 0.75000000000000 15.999 > 11 *39 O 0.59193466574958 0.00000000000000 0.25000000000000 15.999 > 12 40 O 0.59193466574958 0.00000000000000 0.75000000000000 15.999 > 12 41 O 0.40806533425042 0.40806533425042 0.25000000000000 15.999 > 13 42 O 0.40806533425042 0.40806533425042 0.75000000000000 15.999 > 13 43 O 0.00000000000000 0.59193466574958 0.25000000000000 15.999 > 14 44 O 0.00000000000000 0.59193466574958 0.75000000000000 15.999 > 14 45 O 0.30034359878910 0.84988861286657 0.23959339046259 15.999 > 15 46 O 0.30034359878910 0.84988861286657 0.73959339046259 15.999 > 15 47 O 0.54954501407747 0.69965640121090 0.23959339046259 15.999 > 16 48 O 0.54954501407747 0.69965640121090 0.73959339046259 15.999 > 16 49 O 0.81677805380010 0.78378831925586 0.40626005712925 15.999 > 5 50 O 0.81677805380010 0.78378831925586 0.90626005712925 15.999 > 5 51 O 0.11712165258920 0.48344472046677 0.42707327620408 15.999 > 6 52 O 0.11712165258920 0.48344472046677 0.92707327620408 15.999 > 6 53 O 0.36632306787757 0.88287834741080 0.42707327620408 15.999 > 7 54 O 0.36632306787757 0.88287834741080 0.92707327620408 15.999 > 7 55 O 0.51655527953323 0.63367693212243 0.42707327620408 15.999 > 8 56 O 0.51655527953323 0.63367693212243 0.92707327620408 15.999 > 8 57 O 0.51769177254335 0.33333333333333 0.41666666666667 15.999 > 9 58 O 0.51769177254335 0.33333333333333 0.91666666666667 15.999 > 9 59 O 0.81564156078998 0.48230822745665 0.41666666666667 15.999 > 10 60 O 0.81564156078998 0.48230822745665 0.91666666666667 15.999 > 10 61 O 0.66666666666667 0.18435843921002 0.41666666666667 15.999 > 11 62 O 0.66666666666667 0.18435843921002 0.91666666666667 15.999 > 11 63 O 0.25860133241625 0.33333333333333 0.41666666666667 15.999 > 12 64 O 0.25860133241625 0.33333333333333 0.91666666666667 15.999 > 12 65 O 0.07473200091708 0.74139866758375 0.41666666666667 15.999 > 13 66 O 0.07473200091708 0.74139866758375 0.91666666666667 15.999 > 13 67 O 0.66666666666667 0.92526799908291 0.41666666666667 15.999 > 14 68 O 0.66666666666667 0.92526799908291 0.91666666666667 15.999 > 14 69 O 0.96701026545576 0.18322194619990 0.40626005712925 15.999 > 15 70 O 0.96701026545576 0.18322194619990 0.90626005712925 15.999 > 15 71 O 0.21621168074414 0.03298973454424 0.40626005712925 15.999 > 16 72 O 0.21621168074414 0.03298973454424 0.90626005712925 15.999 > 16 73 O 0.48344472046677 0.11712165258920 0.07292672379592 15.999 > 5 74 O 0.48344472046677 0.11712165258920 0.57292672379592 15.999 > 5 75 O 0.78378831925586 0.81677805380010 0.09373994287075 15.999 > 6 76 O 0.78378831925586 0.81677805380010 0.59373994287075 15.999 > 6 77 O 0.03298973454424 0.21621168074414 0.09373994287075 15.999 > 7 78 O 0.03298973454424 0.21621168074414 0.59373994287075 15.999 > 7 79 O 0.18322194619990 0.96701026545576 0.09373994287075 15.999 > 8 80 O 0.18322194619990 0.96701026545576 0.59373994287075 15.999 > 8 81 O 0.18435843921002 0.66666666666667 0.08333333333333 15.999 > 9 82 O 0.18435843921002 0.66666666666667 0.58333333333333 15.999 > 9 83 O 0.48230822745665 0.81564156078998 0.08333333333333 15.999 > 10 84 O 0.48230822745665 0.81564156078998 0.58333333333333 15.999 > 10 85 O 0.33333333333333 0.51769177254335 0.08333333333333 15.999 > 11 86 O 0.33333333333333 0.51769177254335 0.58333333333333 15.999 > 11 87 O 0.92526799908291 0.66666666666667 0.08333333333333 15.999 > 12 88 O 0.92526799908291 0.66666666666667 0.58333333333333 15.999 > 12 89 O 0.74139866758375 0.07473200091708 0.08333333333333 15.999 > 13 90 O 0.74139866758375 0.07473200091708 0.58333333333333 15.999 > 13 91 O 0.33333333333333 0.25860133241625 0.08333333333333 15.999 > 14 92 O 0.33333333333333 0.25860133241625 0.58333333333333 15.999 > 14 93 O 0.63367693212243 0.51655527953323 0.07292672379592 15.999 > 15 94 O 0.63367693212243 0.51655527953323 0.57292672379592 15.999 > 15 95 O 0.88287834741080 0.36632306787757 0.07292672379592 15.999 > 16 96 O 0.88287834741080 0.36632306787757 0.57292672379592 15.999 > 16 *97 Al 0.66666666666667 0.88890920578214 0.16666666666667 26.982 > 17 98 Al 0.66666666666667 0.88890920578214 0.66666666666667 26.982 > 17 99 Al 0.11109079421786 0.77775746088453 0.16666666666667 26.982 > 18 100 Al 0.11109079421786 0.77775746088453 0.66666666666667 26.982 > 18 101 Al 0.22224253911547 0.33333333333333 0.16666666666667 26.982 > 19 102 Al 0.22224253911547 0.33333333333333 0.66666666666667 26.982 > 19 103 Al 0.33333333333333 0.22224253911547 0.33333333333333 26.982 > 17 104 Al 0.33333333333333 0.22224253911547 0.83333333333333 26.982 > 17 105 Al 0.77775746088453 0.11109079421786 0.33333333333333 26.982 > 18 106 Al 0.77775746088453 0.11109079421786 0.83333333333333 26.982 > 18 107 Al 0.88890920578214 0.66666666666667 0.33333333333333 26.982 > 19 108 Al 0.88890920578214 0.66666666666667 0.83333333333333 26.982 > 19 109 Al 0.00000000000000 0.55557587244881 0.00000000000000 26.982 > 17 110 Al 0.00000000000000 0.55557587244881 0.50000000000000 26.982 > 17 111 Al 0.44442412755119 0.44442412755119 0.00000000000000 26.982 > 18 112 Al 0.44442412755119 0.44442412755119 0.50000000000000 26.982 > 18 113 Al 0.55557587244881 0.00000000000000 0.00000000000000 26.982 > 19 114 Al 0.55557587244881 0.00000000000000 0.50000000000000 26.982 > 19 *115 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 116 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 20 117 Y 0.66666666666667 0.33333333333333 0.16666666666667 88.906 > 20 118 Y 0.66666666666667 0.33333333333333 0.66666666666667 88.906 > 20 119 Y 0.33333333333333 0.66666666666667 0.33333333333333 88.906 > 20 120 Y 0.33333333333333 0.66666666666667 0.83333333333333 88.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4019239 0.0000000 0.0000000 0.0000000 3.4019239 0.0000000 0.0000000 0.0000000 3.0996933 -------------------------- Born effective charges -------------------------- 1 B 2.8261757 0.2066470 -0.1077908 0.2066470 2.5875603 -0.0622330 0.0723817 0.0417896 1.1924027 2 B 2.8261757 -0.2066470 0.1077908 -0.2066470 2.5875603 -0.0622330 -0.0723817 0.0417896 1.1924027 3 B 2.4682526 0.0000000 0.0000000 -0.0000000 2.9454834 0.1244661 -0.0000000 -0.0835792 1.1924027 4 B 2.8353605 0.0000000 -0.0000000 -0.0000000 2.8353605 -0.0000000 -0.0000000 0.0000000 1.1018025 5 O -2.4699434 -0.0944794 0.0912122 -0.1038994 -1.6264250 -0.3372212 0.0732471 -0.3443343 -1.5472259 6 O -1.7514041 0.3109495 0.3376482 0.3203695 -2.3449643 0.0896185 0.3348258 0.1087332 -1.5472259 7 O -2.4699434 0.0944794 -0.0912122 0.1038994 -1.6264250 -0.3372212 -0.0732471 -0.3443343 -1.5472259 8 O -1.9232051 -0.4195589 -0.2464360 -0.4101389 -2.1731633 0.2476027 -0.2615786 0.2356010 -1.5472259 9 O -2.5899202 0.0000000 -0.0000000 -0.0000000 -1.4146414 -0.2572868 -0.0000000 -0.2031443 -1.4347300 10 O -1.7084611 -0.5089107 -0.2228169 -0.5089107 -2.2961005 0.1286434 -0.1759282 0.1015722 -1.4347300 11 O -1.7084611 0.5089107 0.2228169 0.5089107 -2.2961005 0.1286434 0.1759282 0.1015722 -1.4347300 12 O -2.5006748 0.0000000 -0.0000000 -0.0000000 -1.6140632 -0.1184902 -0.0000000 -0.0554679 -1.4112303 13 O -1.8357161 -0.3839141 -0.1026155 -0.3839141 -2.2790219 0.0592451 -0.0480366 0.0277340 -1.4112303 14 O -1.8357161 0.3839141 0.1026155 0.3839141 -2.2790219 0.0592451 0.0480366 0.0277340 -1.4112303 15 O -1.7514041 -0.3109495 -0.3376482 -0.3203695 -2.3449643 0.0896185 -0.3348258 0.1087332 -1.5472259 16 O -1.9232051 0.4195589 0.2464360 0.4101389 -2.1731633 0.2476027 0.2615786 0.2356010 -1.5472259 17 Al 3.2408611 0.0381941 -0.0522343 0.0381941 3.1967583 -0.0301575 -0.0729493 -0.0421173 3.1518465 18 Al 3.2408611 -0.0381941 0.0522343 -0.0381941 3.1967583 -0.0301575 0.0729493 -0.0421173 3.1518465 19 Al 3.1747069 0.0000000 0.0000000 -0.0000000 3.2629125 0.0603149 -0.0000000 0.0842346 3.1518465 20 Y 3.8556611 0.0000000 -0.0000000 -0.0000000 3.8556611 -0.0000000 -0.0000000 0.0000000 3.6866859 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 13920/13920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 924 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 866 Use submatrix version of eigh solver. (1) Block: 500 / 866 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 866 / 866 (1) 355 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 792 / 792 (1) 282 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1877), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (248, 241), data: True |-- (792, 780), data: False |-- (792, 10), data: (792, 22) @ (22, 10) |-- (292, 282), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (866, 852), data: False |-- (866, 11), data: (866, 25) @ (25, 11) |-- (366, 355), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 3.256 Solver_block: 200 / 400 - Time: 3.282 Solver_block: 300 / 400 - Time: 3.289 Solver_block: 400 / 400 - Time: 3.286 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.164 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 13920/13920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 924 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 866 Use submatrix version of eigh solver. (1) Block: 500 / 866 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 866 / 866 (1) 355 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 792 / 792 (1) 282 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1877), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (248, 241), data: True |-- (792, 780), data: False |-- (792, 10), data: (792, 22) @ (22, 10) |-- (292, 282), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (866, 852), data: False |-- (866, 11), data: (866, 25) @ (25, 11) |-- (366, 355), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 2026-01-07 21:10:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:10:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.652959904149651 2.686387653189331 2.400387469999997 b -4.652959904149641 2.686387653189331 2.400387469999997 c 0.000000000000005 -5.372775306378670 2.400387469999997 Atomic positions (fractional): 1 B 0.50000000000000 0.94337538267072 0.05662461732928 10.811 2 B 0.05662461732928 0.50000000000000 0.94337538267072 10.811 3 B 0.94337538267072 0.05662461732928 0.50000000000000 10.811 4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 5 O 0.62929816805861 0.77953037971427 0.02873179500264 15.999 6 O 0.97126820499736 0.22046962028573 0.37070183194139 15.999 7 O 0.22046962028573 0.37070183194140 0.97126820499736 15.999 8 O 0.37070183194139 0.97126820499736 0.22046962028573 15.999 9 O 0.35102510587669 0.64897489412332 0.50000000000000 15.999 10 O 0.64897489412331 0.50000000000000 0.35102510587669 15.999 11 O 0.50000000000000 0.35102510587669 0.64897489412331 15.999 12 O 0.09193466574958 0.90806533425042 0.50000000000000 15.999 13 O 0.90806533425042 0.50000000000000 0.09193466574958 15.999 14 O 0.50000000000000 0.09193466574958 0.90806533425042 15.999 15 O 0.77953037971427 0.02873179500264 0.62929816805861 15.999 16 O 0.02873179500264 0.62929816805861 0.77953037971427 15.999 17 Al 0.00000000000000 0.55557587244881 0.44442412755119 26.982 18 Al 0.44442412755119 0.00000000000000 0.55557587244881 26.982 19 Al 0.55557587244881 0.44442412755119 0.00000000000000 26.982 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.305919808299294 0.000000000000000 0.000000000000000 b -4.652959904149647 8.059162959568001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.402324820000000 Atomic positions (fractional): 1 B 0.00000000000000 0.44337538267072 0.25000000000000 10.811 > 1 2 B 0.00000000000000 0.44337538267072 0.75000000000000 10.811 > 1 3 B 0.55662461732928 0.55662461732928 0.25000000000000 10.811 > 3 4 B 0.55662461732928 0.55662461732928 0.75000000000000 10.811 > 3 5 B 0.44337538267072 0.00000000000000 0.25000000000000 10.811 > 5 6 B 0.44337538267072 0.00000000000000 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 7 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 7 9 B 0.66666666666667 0.77670871600405 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.77670871600405 0.91666666666667 10.811 > 1 11 B 0.22329128399595 0.88995795066261 0.41666666666667 10.811 > 3 12 B 0.22329128399595 0.88995795066261 0.91666666666667 10.811 > 3 13 B 0.11004204933739 0.33333333333333 0.41666666666667 10.811 > 5 14 B 0.11004204933739 0.33333333333333 0.91666666666667 10.811 > 5 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 7 17 B 0.33333333333333 0.11004204933739 0.08333333333333 10.811 > 1 18 B 0.33333333333333 0.11004204933739 0.58333333333333 10.811 > 1 19 B 0.88995795066261 0.22329128399595 0.08333333333333 10.811 > 3 20 B 0.88995795066261 0.22329128399595 0.58333333333333 10.811 > 3 21 B 0.77670871600405 0.66666666666667 0.08333333333333 10.811 > 5 22 B 0.77670871600405 0.66666666666667 0.58333333333333 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 7 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 7 25 O 0.15011138713343 0.45045498592253 0.23959339046259 15.999 > 25 26 O 0.15011138713343 0.45045498592253 0.73959339046259 15.999 > 25 27 O 0.45045498592253 0.15011138713343 0.26040660953741 15.999 > 27 28 O 0.45045498592253 0.15011138713343 0.76040660953741 15.999 > 27 29 O 0.69965640121090 0.54954501407747 0.26040660953741 15.999 > 29 30 O 0.69965640121090 0.54954501407747 0.76040660953741 15.999 > 29 31 O 0.84988861286657 0.30034359878910 0.26040660953741 15.999 > 31 32 O 0.84988861286657 0.30034359878910 0.76040660953741 15.999 > 31 33 O 0.85102510587669 0.00000000000000 0.25000000000000 15.999 > 33 34 O 0.85102510587669 0.00000000000000 0.75000000000000 15.999 > 33 35 O 0.14897489412331 0.14897489412331 0.25000000000000 15.999 > 35 36 O 0.14897489412331 0.14897489412331 0.75000000000000 15.999 > 35 37 O 0.00000000000000 0.85102510587669 0.25000000000000 15.999 > 37 38 O 0.00000000000000 0.85102510587669 0.75000000000000 15.999 > 37 39 O 0.59193466574958 0.00000000000000 0.25000000000000 15.999 > 39 40 O 0.59193466574958 0.00000000000000 0.75000000000000 15.999 > 39 41 O 0.40806533425042 0.40806533425042 0.25000000000000 15.999 > 41 42 O 0.40806533425042 0.40806533425042 0.75000000000000 15.999 > 41 43 O 0.00000000000000 0.59193466574958 0.25000000000000 15.999 > 43 44 O 0.00000000000000 0.59193466574958 0.75000000000000 15.999 > 43 45 O 0.30034359878910 0.84988861286657 0.23959339046259 15.999 > 45 46 O 0.30034359878910 0.84988861286657 0.73959339046259 15.999 > 45 47 O 0.54954501407747 0.69965640121090 0.23959339046259 15.999 > 47 48 O 0.54954501407747 0.69965640121090 0.73959339046259 15.999 > 47 49 O 0.81677805380010 0.78378831925586 0.40626005712925 15.999 > 25 50 O 0.81677805380010 0.78378831925586 0.90626005712925 15.999 > 25 51 O 0.11712165258920 0.48344472046677 0.42707327620408 15.999 > 27 52 O 0.11712165258920 0.48344472046677 0.92707327620408 15.999 > 27 53 O 0.36632306787757 0.88287834741080 0.42707327620408 15.999 > 29 54 O 0.36632306787757 0.88287834741080 0.92707327620408 15.999 > 29 55 O 0.51655527953323 0.63367693212243 0.42707327620408 15.999 > 31 56 O 0.51655527953323 0.63367693212243 0.92707327620408 15.999 > 31 57 O 0.51769177254335 0.33333333333333 0.41666666666667 15.999 > 33 58 O 0.51769177254335 0.33333333333333 0.91666666666667 15.999 > 33 59 O 0.81564156078998 0.48230822745665 0.41666666666667 15.999 > 35 60 O 0.81564156078998 0.48230822745665 0.91666666666667 15.999 > 35 61 O 0.66666666666667 0.18435843921002 0.41666666666667 15.999 > 37 62 O 0.66666666666667 0.18435843921002 0.91666666666667 15.999 > 37 63 O 0.25860133241625 0.33333333333333 0.41666666666667 15.999 > 39 64 O 0.25860133241625 0.33333333333333 0.91666666666667 15.999 > 39 65 O 0.07473200091708 0.74139866758375 0.41666666666667 15.999 > 41 66 O 0.07473200091708 0.74139866758375 0.91666666666667 15.999 > 41 67 O 0.66666666666667 0.92526799908291 0.41666666666667 15.999 > 43 68 O 0.66666666666667 0.92526799908291 0.91666666666667 15.999 > 43 69 O 0.96701026545576 0.18322194619990 0.40626005712925 15.999 > 45 70 O 0.96701026545576 0.18322194619990 0.90626005712925 15.999 > 45 71 O 0.21621168074414 0.03298973454424 0.40626005712925 15.999 > 47 72 O 0.21621168074414 0.03298973454424 0.90626005712925 15.999 > 47 73 O 0.48344472046677 0.11712165258920 0.07292672379592 15.999 > 25 74 O 0.48344472046677 0.11712165258920 0.57292672379592 15.999 > 25 75 O 0.78378831925586 0.81677805380010 0.09373994287075 15.999 > 27 76 O 0.78378831925586 0.81677805380010 0.59373994287075 15.999 > 27 77 O 0.03298973454424 0.21621168074414 0.09373994287075 15.999 > 29 78 O 0.03298973454424 0.21621168074414 0.59373994287075 15.999 > 29 79 O 0.18322194619990 0.96701026545576 0.09373994287075 15.999 > 31 80 O 0.18322194619990 0.96701026545576 0.59373994287075 15.999 > 31 81 O 0.18435843921002 0.66666666666667 0.08333333333333 15.999 > 33 82 O 0.18435843921002 0.66666666666667 0.58333333333333 15.999 > 33 83 O 0.48230822745665 0.81564156078998 0.08333333333333 15.999 > 35 84 O 0.48230822745665 0.81564156078998 0.58333333333333 15.999 > 35 85 O 0.33333333333333 0.51769177254335 0.08333333333333 15.999 > 37 86 O 0.33333333333333 0.51769177254335 0.58333333333333 15.999 > 37 87 O 0.92526799908291 0.66666666666667 0.08333333333333 15.999 > 39 88 O 0.92526799908291 0.66666666666667 0.58333333333333 15.999 > 39 89 O 0.74139866758375 0.07473200091708 0.08333333333333 15.999 > 41 90 O 0.74139866758375 0.07473200091708 0.58333333333333 15.999 > 41 91 O 0.33333333333333 0.25860133241625 0.08333333333333 15.999 > 43 92 O 0.33333333333333 0.25860133241625 0.58333333333333 15.999 > 43 93 O 0.63367693212243 0.51655527953323 0.07292672379592 15.999 > 45 94 O 0.63367693212243 0.51655527953323 0.57292672379592 15.999 > 45 95 O 0.88287834741080 0.36632306787757 0.07292672379592 15.999 > 47 96 O 0.88287834741080 0.36632306787757 0.57292672379592 15.999 > 47 97 Al 0.66666666666667 0.88890920578214 0.16666666666667 26.982 > 97 98 Al 0.66666666666667 0.88890920578214 0.66666666666667 26.982 > 97 99 Al 0.11109079421786 0.77775746088453 0.16666666666667 26.982 > 99 100 Al 0.11109079421786 0.77775746088453 0.66666666666667 26.982 > 99 101 Al 0.22224253911547 0.33333333333333 0.16666666666667 26.982 > 101 102 Al 0.22224253911547 0.33333333333333 0.66666666666667 26.982 > 101 103 Al 0.33333333333333 0.22224253911547 0.33333333333333 26.982 > 97 104 Al 0.33333333333333 0.22224253911547 0.83333333333333 26.982 > 97 105 Al 0.77775746088453 0.11109079421786 0.33333333333333 26.982 > 99 106 Al 0.77775746088453 0.11109079421786 0.83333333333333 26.982 > 99 107 Al 0.88890920578214 0.66666666666667 0.33333333333333 26.982 > 101 108 Al 0.88890920578214 0.66666666666667 0.83333333333333 26.982 > 101 109 Al 0.00000000000000 0.55557587244881 0.00000000000000 26.982 > 97 110 Al 0.00000000000000 0.55557587244881 0.50000000000000 26.982 > 97 111 Al 0.44442412755119 0.44442412755119 0.00000000000000 26.982 > 99 112 Al 0.44442412755119 0.44442412755119 0.50000000000000 26.982 > 99 113 Al 0.55557587244881 0.00000000000000 0.00000000000000 26.982 > 101 114 Al 0.55557587244881 0.00000000000000 0.50000000000000 26.982 > 101 115 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 115 116 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 115 117 Y 0.66666666666667 0.33333333333333 0.16666666666667 88.906 > 115 118 Y 0.66666666666667 0.33333333333333 0.66666666666667 88.906 > 115 119 Y 0.33333333333333 0.66666666666667 0.33333333333333 88.906 > 115 120 Y 0.33333333333333 0.66666666666667 0.83333333333333 88.906 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4019239 0.0000000 0.0000000 0.0000000 3.4019239 0.0000000 0.0000000 0.0000000 3.0996933 -------------------------- Born effective charges -------------------------- 1 B 2.8261757 0.2066470 -0.1077908 0.2066470 2.5875603 -0.0622330 0.0723817 0.0417896 1.1924027 2 B 2.8261757 -0.2066470 0.1077908 -0.2066470 2.5875603 -0.0622330 -0.0723817 0.0417896 1.1924027 3 B 2.4682526 0.0000000 0.0000000 -0.0000000 2.9454834 0.1244661 -0.0000000 -0.0835792 1.1924027 4 B 2.8353605 0.0000000 -0.0000000 -0.0000000 2.8353605 -0.0000000 -0.0000000 0.0000000 1.1018025 5 O -2.4699434 -0.0944794 0.0912122 -0.1038994 -1.6264250 -0.3372212 0.0732471 -0.3443343 -1.5472259 6 O -1.7514041 0.3109495 0.3376482 0.3203695 -2.3449643 0.0896185 0.3348258 0.1087332 -1.5472259 7 O -2.4699434 0.0944794 -0.0912122 0.1038994 -1.6264250 -0.3372212 -0.0732471 -0.3443343 -1.5472259 8 O -1.9232051 -0.4195589 -0.2464360 -0.4101389 -2.1731633 0.2476027 -0.2615786 0.2356010 -1.5472259 9 O -2.5899202 0.0000000 -0.0000000 -0.0000000 -1.4146414 -0.2572868 -0.0000000 -0.2031443 -1.4347300 10 O -1.7084611 -0.5089107 -0.2228169 -0.5089107 -2.2961005 0.1286434 -0.1759282 0.1015722 -1.4347300 11 O -1.7084611 0.5089107 0.2228169 0.5089107 -2.2961005 0.1286434 0.1759282 0.1015722 -1.4347300 12 O -2.5006748 0.0000000 -0.0000000 -0.0000000 -1.6140632 -0.1184902 -0.0000000 -0.0554679 -1.4112303 13 O -1.8357161 -0.3839141 -0.1026155 -0.3839141 -2.2790219 0.0592451 -0.0480366 0.0277340 -1.4112303 14 O -1.8357161 0.3839141 0.1026155 0.3839141 -2.2790219 0.0592451 0.0480366 0.0277340 -1.4112303 15 O -1.7514041 -0.3109495 -0.3376482 -0.3203695 -2.3449643 0.0896185 -0.3348258 0.1087332 -1.5472259 16 O -1.9232051 0.4195589 0.2464360 0.4101389 -2.1731633 0.2476027 0.2615786 0.2356010 -1.5472259 17 Al 3.2408611 0.0381941 -0.0522343 0.0381941 3.1967583 -0.0301575 -0.0729493 -0.0421173 3.1518465 18 Al 3.2408611 -0.0381941 0.0522343 -0.0381941 3.1967583 -0.0301575 0.0729493 -0.0421173 3.1518465 19 Al 3.1747069 0.0000000 0.0000000 -0.0000000 3.2629125 0.0603149 -0.0000000 0.0842346 3.1518465 20 Y 3.8556611 0.0000000 -0.0000000 -0.0000000 3.8556611 -0.0000000 -0.0000000 0.0000000 3.6866859 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 115, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 2026-01-07 21:10:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:10:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.652959904149651 2.686387653189331 2.400387469999997 b -4.652959904149641 2.686387653189331 2.400387469999997 c 0.000000000000005 -5.372775306378670 2.400387469999997 Atomic positions (fractional): 1 B 0.50000000000000 0.94337538267072 0.05662461732928 10.811 2 B 0.05662461732928 0.50000000000000 0.94337538267072 10.811 3 B 0.94337538267072 0.05662461732928 0.50000000000000 10.811 4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 5 O 0.62929816805861 0.77953037971427 0.02873179500264 15.999 6 O 0.97126820499736 0.22046962028573 0.37070183194139 15.999 7 O 0.22046962028573 0.37070183194140 0.97126820499736 15.999 8 O 0.37070183194139 0.97126820499736 0.22046962028573 15.999 9 O 0.35102510587669 0.64897489412332 0.50000000000000 15.999 10 O 0.64897489412331 0.50000000000000 0.35102510587669 15.999 11 O 0.50000000000000 0.35102510587669 0.64897489412331 15.999 12 O 0.09193466574958 0.90806533425042 0.50000000000000 15.999 13 O 0.90806533425042 0.50000000000000 0.09193466574958 15.999 14 O 0.50000000000000 0.09193466574958 0.90806533425042 15.999 15 O 0.77953037971427 0.02873179500264 0.62929816805861 15.999 16 O 0.02873179500264 0.62929816805861 0.77953037971427 15.999 17 Al 0.00000000000000 0.55557587244881 0.44442412755119 26.982 18 Al 0.44442412755119 0.00000000000000 0.55557587244881 26.982 19 Al 0.55557587244881 0.44442412755119 0.00000000000000 26.982 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.305919808299294 0.000000000000000 0.000000000000000 b -4.652959904149647 8.059162959568001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.402324820000000 Atomic positions (fractional): 1 B 0.00000000000000 0.44337538267072 0.25000000000000 10.811 > 1 2 B 0.00000000000000 0.44337538267072 0.75000000000000 10.811 > 1 3 B 0.55662461732928 0.55662461732928 0.25000000000000 10.811 > 3 4 B 0.55662461732928 0.55662461732928 0.75000000000000 10.811 > 3 5 B 0.44337538267072 0.00000000000000 0.25000000000000 10.811 > 5 6 B 0.44337538267072 0.00000000000000 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 7 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 7 9 B 0.66666666666667 0.77670871600405 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.77670871600405 0.91666666666667 10.811 > 1 11 B 0.22329128399595 0.88995795066261 0.41666666666667 10.811 > 3 12 B 0.22329128399595 0.88995795066261 0.91666666666667 10.811 > 3 13 B 0.11004204933739 0.33333333333333 0.41666666666667 10.811 > 5 14 B 0.11004204933739 0.33333333333333 0.91666666666667 10.811 > 5 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 7 17 B 0.33333333333333 0.11004204933739 0.08333333333333 10.811 > 1 18 B 0.33333333333333 0.11004204933739 0.58333333333333 10.811 > 1 19 B 0.88995795066261 0.22329128399595 0.08333333333333 10.811 > 3 20 B 0.88995795066261 0.22329128399595 0.58333333333333 10.811 > 3 21 B 0.77670871600405 0.66666666666667 0.08333333333333 10.811 > 5 22 B 0.77670871600405 0.66666666666667 0.58333333333333 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 7 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 7 25 O 0.15011138713343 0.45045498592253 0.23959339046259 15.999 > 25 26 O 0.15011138713343 0.45045498592253 0.73959339046259 15.999 > 25 27 O 0.45045498592253 0.15011138713343 0.26040660953741 15.999 > 27 28 O 0.45045498592253 0.15011138713343 0.76040660953741 15.999 > 27 29 O 0.69965640121090 0.54954501407747 0.26040660953741 15.999 > 29 30 O 0.69965640121090 0.54954501407747 0.76040660953741 15.999 > 29 31 O 0.84988861286657 0.30034359878910 0.26040660953741 15.999 > 31 32 O 0.84988861286657 0.30034359878910 0.76040660953741 15.999 > 31 33 O 0.85102510587669 0.00000000000000 0.25000000000000 15.999 > 33 34 O 0.85102510587669 0.00000000000000 0.75000000000000 15.999 > 33 35 O 0.14897489412331 0.14897489412331 0.25000000000000 15.999 > 35 36 O 0.14897489412331 0.14897489412331 0.75000000000000 15.999 > 35 37 O 0.00000000000000 0.85102510587669 0.25000000000000 15.999 > 37 38 O 0.00000000000000 0.85102510587669 0.75000000000000 15.999 > 37 39 O 0.59193466574958 0.00000000000000 0.25000000000000 15.999 > 39 40 O 0.59193466574958 0.00000000000000 0.75000000000000 15.999 > 39 41 O 0.40806533425042 0.40806533425042 0.25000000000000 15.999 > 41 42 O 0.40806533425042 0.40806533425042 0.75000000000000 15.999 > 41 43 O 0.00000000000000 0.59193466574958 0.25000000000000 15.999 > 43 44 O 0.00000000000000 0.59193466574958 0.75000000000000 15.999 > 43 45 O 0.30034359878910 0.84988861286657 0.23959339046259 15.999 > 45 46 O 0.30034359878910 0.84988861286657 0.73959339046259 15.999 > 45 47 O 0.54954501407747 0.69965640121090 0.23959339046259 15.999 > 47 48 O 0.54954501407747 0.69965640121090 0.73959339046259 15.999 > 47 49 O 0.81677805380010 0.78378831925586 0.40626005712925 15.999 > 25 50 O 0.81677805380010 0.78378831925586 0.90626005712925 15.999 > 25 51 O 0.11712165258920 0.48344472046677 0.42707327620408 15.999 > 27 52 O 0.11712165258920 0.48344472046677 0.92707327620408 15.999 > 27 53 O 0.36632306787757 0.88287834741080 0.42707327620408 15.999 > 29 54 O 0.36632306787757 0.88287834741080 0.92707327620408 15.999 > 29 55 O 0.51655527953323 0.63367693212243 0.42707327620408 15.999 > 31 56 O 0.51655527953323 0.63367693212243 0.92707327620408 15.999 > 31 57 O 0.51769177254335 0.33333333333333 0.41666666666667 15.999 > 33 58 O 0.51769177254335 0.33333333333333 0.91666666666667 15.999 > 33 59 O 0.81564156078998 0.48230822745665 0.41666666666667 15.999 > 35 60 O 0.81564156078998 0.48230822745665 0.91666666666667 15.999 > 35 61 O 0.66666666666667 0.18435843921002 0.41666666666667 15.999 > 37 62 O 0.66666666666667 0.18435843921002 0.91666666666667 15.999 > 37 63 O 0.25860133241625 0.33333333333333 0.41666666666667 15.999 > 39 64 O 0.25860133241625 0.33333333333333 0.91666666666667 15.999 > 39 65 O 0.07473200091708 0.74139866758375 0.41666666666667 15.999 > 41 66 O 0.07473200091708 0.74139866758375 0.91666666666667 15.999 > 41 67 O 0.66666666666667 0.92526799908291 0.41666666666667 15.999 > 43 68 O 0.66666666666667 0.92526799908291 0.91666666666667 15.999 > 43 69 O 0.96701026545576 0.18322194619990 0.40626005712925 15.999 > 45 70 O 0.96701026545576 0.18322194619990 0.90626005712925 15.999 > 45 71 O 0.21621168074414 0.03298973454424 0.40626005712925 15.999 > 47 72 O 0.21621168074414 0.03298973454424 0.90626005712925 15.999 > 47 73 O 0.48344472046677 0.11712165258920 0.07292672379592 15.999 > 25 74 O 0.48344472046677 0.11712165258920 0.57292672379592 15.999 > 25 75 O 0.78378831925586 0.81677805380010 0.09373994287075 15.999 > 27 76 O 0.78378831925586 0.81677805380010 0.59373994287075 15.999 > 27 77 O 0.03298973454424 0.21621168074414 0.09373994287075 15.999 > 29 78 O 0.03298973454424 0.21621168074414 0.59373994287075 15.999 > 29 79 O 0.18322194619990 0.96701026545576 0.09373994287075 15.999 > 31 80 O 0.18322194619990 0.96701026545576 0.59373994287075 15.999 > 31 81 O 0.18435843921002 0.66666666666667 0.08333333333333 15.999 > 33 82 O 0.18435843921002 0.66666666666667 0.58333333333333 15.999 > 33 83 O 0.48230822745665 0.81564156078998 0.08333333333333 15.999 > 35 84 O 0.48230822745665 0.81564156078998 0.58333333333333 15.999 > 35 85 O 0.33333333333333 0.51769177254335 0.08333333333333 15.999 > 37 86 O 0.33333333333333 0.51769177254335 0.58333333333333 15.999 > 37 87 O 0.92526799908291 0.66666666666667 0.08333333333333 15.999 > 39 88 O 0.92526799908291 0.66666666666667 0.58333333333333 15.999 > 39 89 O 0.74139866758375 0.07473200091708 0.08333333333333 15.999 > 41 90 O 0.74139866758375 0.07473200091708 0.58333333333333 15.999 > 41 91 O 0.33333333333333 0.25860133241625 0.08333333333333 15.999 > 43 92 O 0.33333333333333 0.25860133241625 0.58333333333333 15.999 > 43 93 O 0.63367693212243 0.51655527953323 0.07292672379592 15.999 > 45 94 O 0.63367693212243 0.51655527953323 0.57292672379592 15.999 > 45 95 O 0.88287834741080 0.36632306787757 0.07292672379592 15.999 > 47 96 O 0.88287834741080 0.36632306787757 0.57292672379592 15.999 > 47 97 Al 0.66666666666667 0.88890920578214 0.16666666666667 26.982 > 97 98 Al 0.66666666666667 0.88890920578214 0.66666666666667 26.982 > 97 99 Al 0.11109079421786 0.77775746088453 0.16666666666667 26.982 > 99 100 Al 0.11109079421786 0.77775746088453 0.66666666666667 26.982 > 99 101 Al 0.22224253911547 0.33333333333333 0.16666666666667 26.982 > 101 102 Al 0.22224253911547 0.33333333333333 0.66666666666667 26.982 > 101 103 Al 0.33333333333333 0.22224253911547 0.33333333333333 26.982 > 97 104 Al 0.33333333333333 0.22224253911547 0.83333333333333 26.982 > 97 105 Al 0.77775746088453 0.11109079421786 0.33333333333333 26.982 > 99 106 Al 0.77775746088453 0.11109079421786 0.83333333333333 26.982 > 99 107 Al 0.88890920578214 0.66666666666667 0.33333333333333 26.982 > 101 108 Al 0.88890920578214 0.66666666666667 0.83333333333333 26.982 > 101 109 Al 0.00000000000000 0.55557587244881 0.00000000000000 26.982 > 97 110 Al 0.00000000000000 0.55557587244881 0.50000000000000 26.982 > 97 111 Al 0.44442412755119 0.44442412755119 0.00000000000000 26.982 > 99 112 Al 0.44442412755119 0.44442412755119 0.50000000000000 26.982 > 99 113 Al 0.55557587244881 0.00000000000000 0.00000000000000 26.982 > 101 114 Al 0.55557587244881 0.00000000000000 0.50000000000000 26.982 > 101 115 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 115 116 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 115 117 Y 0.66666666666667 0.33333333333333 0.16666666666667 88.906 > 115 118 Y 0.66666666666667 0.33333333333333 0.66666666666667 88.906 > 115 119 Y 0.33333333333333 0.66666666666667 0.33333333333333 88.906 > 115 120 Y 0.33333333333333 0.66666666666667 0.83333333333333 88.906 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4019239 0.0000000 0.0000000 0.0000000 3.4019239 0.0000000 0.0000000 0.0000000 3.0996933 -------------------------- Born effective charges -------------------------- 1 B 2.8261757 0.2066470 -0.1077908 0.2066470 2.5875603 -0.0622330 0.0723817 0.0417896 1.1924027 2 B 2.8261757 -0.2066470 0.1077908 -0.2066470 2.5875603 -0.0622330 -0.0723817 0.0417896 1.1924027 3 B 2.4682526 0.0000000 0.0000000 -0.0000000 2.9454834 0.1244661 -0.0000000 -0.0835792 1.1924027 4 B 2.8353605 0.0000000 -0.0000000 -0.0000000 2.8353605 -0.0000000 -0.0000000 0.0000000 1.1018025 5 O -2.4699434 -0.0944794 0.0912122 -0.1038994 -1.6264250 -0.3372212 0.0732471 -0.3443343 -1.5472259 6 O -1.7514041 0.3109495 0.3376482 0.3203695 -2.3449643 0.0896185 0.3348258 0.1087332 -1.5472259 7 O -2.4699434 0.0944794 -0.0912122 0.1038994 -1.6264250 -0.3372212 -0.0732471 -0.3443343 -1.5472259 8 O -1.9232051 -0.4195589 -0.2464360 -0.4101389 -2.1731633 0.2476027 -0.2615786 0.2356010 -1.5472259 9 O -2.5899202 0.0000000 -0.0000000 -0.0000000 -1.4146414 -0.2572868 -0.0000000 -0.2031443 -1.4347300 10 O -1.7084611 -0.5089107 -0.2228169 -0.5089107 -2.2961005 0.1286434 -0.1759282 0.1015722 -1.4347300 11 O -1.7084611 0.5089107 0.2228169 0.5089107 -2.2961005 0.1286434 0.1759282 0.1015722 -1.4347300 12 O -2.5006748 0.0000000 -0.0000000 -0.0000000 -1.6140632 -0.1184902 -0.0000000 -0.0554679 -1.4112303 13 O -1.8357161 -0.3839141 -0.1026155 -0.3839141 -2.2790219 0.0592451 -0.0480366 0.0277340 -1.4112303 14 O -1.8357161 0.3839141 0.1026155 0.3839141 -2.2790219 0.0592451 0.0480366 0.0277340 -1.4112303 15 O -1.7514041 -0.3109495 -0.3376482 -0.3203695 -2.3449643 0.0896185 -0.3348258 0.1087332 -1.5472259 16 O -1.9232051 0.4195589 0.2464360 0.4101389 -2.1731633 0.2476027 0.2615786 0.2356010 -1.5472259 17 Al 3.2408611 0.0381941 -0.0522343 0.0381941 3.1967583 -0.0301575 -0.0729493 -0.0421173 3.1518465 18 Al 3.2408611 -0.0381941 0.0522343 -0.0381941 3.1967583 -0.0301575 0.0729493 -0.0421173 3.1518465 19 Al 3.1747069 0.0000000 0.0000000 -0.0000000 3.2629125 0.0603149 -0.0000000 0.0842346 3.1518465 20 Y 3.8556611 0.0000000 -0.0000000 -0.0000000 3.8556611 -0.0000000 -0.0000000 0.0000000 3.6866859 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.74, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 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 2.409 ( 0.000 0.000 -0.000) 0.000 3.500 ( -0.000 -0.000 0.000) 0.000 3.500 ( -0.000 0.000 -0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 7.372 ( -0.000 0.000 0.000) 0.000 7.450 ( -0.000 0.000 -0.000) 0.000 7.450 ( -0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 8.636 ( -0.000 0.000 -0.000) 0.000 8.881 ( -0.000 -0.000 -0.000) 0.000 8.881 ( 0.000 0.000 -0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 10.944 ( -0.000 0.000 0.000) 0.000 10.944 ( -0.000 0.000 0.000) 0.000 11.017 ( -0.000 0.000 0.000) 0.000 11.330 ( 0.000 -0.000 0.000) 0.000 11.617 ( -0.000 0.000 -0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 12.195 ( -0.000 0.000 0.000) 0.000 12.195 ( -0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 -0.000) 0.000 14.405 ( -0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.609 ( 0.000 0.000 0.000) 0.000 14.718 ( 0.000 0.000 0.000) 0.000 14.718 ( -0.000 0.000 -0.000) 0.000 15.701 ( 0.000 0.000 0.000) 0.000 15.701 ( 0.000 -0.000 -0.000) 0.000 16.533 ( 0.000 0.000 0.000) 0.000 17.775 ( -0.000 0.000 0.000) 0.000 17.775 ( 0.000 0.000 0.000) 0.000 19.019 ( 0.000 0.000 0.000) 0.000 19.438 ( -0.000 0.000 0.000) 0.000 19.440 ( -0.000 -0.000 -0.000) 0.000 19.532 ( 0.000 0.000 -0.000) 0.000 19.532 ( -0.000 0.000 0.000) 0.000 20.357 ( -0.000 0.000 -0.000) 0.000 20.357 ( 0.000 -0.000 -0.000) 0.000 21.618 ( -0.000 0.000 -0.000) 0.000 21.618 ( 0.000 -0.000 0.000) 0.000 21.865 ( -0.000 0.000 0.000) 0.000 28.497 ( 0.000 -0.000 0.000) 0.000 29.142 ( -0.000 -0.000 0.000) 0.000 29.142 ( -0.000 0.000 0.000) 0.000 29.904 ( 0.000 0.000 0.000) 0.000 37.408 ( 0.000 -0.000 0.000) 0.000 37.408 ( 0.000 0.000 0.000) 0.000 38.322 ( 0.000 -0.000 0.000) 0.000 38.322 ( 0.000 -0.000 0.000) 0.000 38.695 ( 0.000 0.000 0.000) 0.000 39.396 ( 0.000 0.000 -0.000) 0.000 39.868 ( -0.000 0.000 0.000) 0.000 39.868 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 30.709 17.730 19.950) 40.686 1.094 ( 21.733 12.548 45.208) 51.707 1.829 ( 62.190 35.906 48.435) 86.619 2.827 ( -7.846 -4.530 29.488) 30.848 3.503 ( 6.111 3.528 -1.629) 7.242 4.100 ( 28.614 16.520 5.221) 33.450 6.301 ( -6.435 -3.715 8.224) 11.083 6.607 ( 3.310 1.911 -0.190) 3.827 6.675 ( 3.544 2.046 5.523) 6.874 7.294 ( -7.660 -4.422 -1.973) 9.062 7.356 ( -1.064 -0.614 -0.567) 1.353 7.554 ( 10.994 6.347 -0.355) 12.699 7.801 ( 23.581 13.615 -0.439) 27.233 8.600 ( -5.257 -3.035 -15.900) 17.020 8.869 ( -12.427 -7.175 11.802) 18.579 9.107 ( 1.635 0.944 9.020) 9.215 9.489 ( -4.153 -2.398 -3.591) 5.991 9.752 ( 6.299 3.637 -4.145) 8.372 9.889 ( 1.220 0.704 1.717) 2.220 10.724 ( -1.745 -1.007 -14.844) 14.980 10.937 ( -5.773 -3.333 -1.639) 6.864 11.263 ( -1.550 -0.895 -6.300) 6.550 11.587 ( -5.369 -3.100 8.248) 10.318 11.738 ( -5.568 -3.215 20.878) 21.846 11.895 ( -4.168 -2.406 6.943) 8.448 12.184 ( -0.209 -0.121 -2.627) 2.638 12.225 ( 5.534 3.195 1.019) 6.471 13.768 ( -13.381 -7.725 12.041) 19.588 14.337 ( -4.930 -2.846 -5.185) 7.700 14.361 ( -4.073 -2.351 -2.278) 5.225 14.583 ( -4.430 -2.557 3.443) 6.166 14.759 ( 2.564 1.480 0.987) 3.121 15.484 ( -4.764 -2.751 -8.864) 10.432 15.744 ( -4.849 -2.799 5.176) 7.625 16.205 ( 38.616 22.295 -56.802) 72.213 16.532 ( 18.346 10.592 -22.359) 30.801 17.731 ( 5.971 3.447 -7.087) 9.887 17.892 ( 3.110 1.796 3.157) 4.782 19.221 ( 1.955 1.129 -9.527) 9.791 19.499 ( -2.344 -1.353 0.993) 2.882 19.550 ( 0.372 0.215 1.613) 1.670 19.578 ( 0.980 0.566 8.661) 8.735 20.231 ( -16.662 -9.620 10.189) 21.771 20.369 ( -1.378 -0.796 0.676) 1.729 20.893 ( -21.904 -12.646 28.113) 37.816 21.571 ( -0.195 -0.113 -4.914) 4.919 21.701 ( 3.756 2.168 -1.981) 4.768 23.107 ( -79.314 -45.792 79.224) 121.095 28.518 ( 1.942 1.121 0.494) 2.297 29.166 ( 2.154 1.243 1.116) 2.726 29.183 ( 2.287 1.320 -0.119) 2.643 29.901 ( -0.015 -0.009 -0.456) 0.456 37.418 ( 1.131 0.653 0.038) 1.307 37.989 ( 2.536 1.464 -10.955) 11.339 38.292 ( 2.797 1.615 -6.683) 7.422 38.638 ( 1.662 0.959 -4.444) 4.841 38.822 ( 18.879 10.900 -11.969) 24.869 39.438 ( -1.477 -0.853 5.833) 6.077 39.919 ( 4.247 2.452 1.775) 5.215 41.190 ( 109.657 63.310 -112.921) 169.659 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 22.442 12.957 14.980) 29.932 2.048 ( 18.385 10.615 35.101) 41.022 3.202 ( 8.359 4.826 44.320) 45.359 3.434 ( 23.859 13.775 29.803) 40.585 3.740 ( 31.797 18.358 4.947) 37.048 4.821 ( 36.220 20.912 20.616) 46.629 6.252 ( -15.406 -8.895 5.244) 18.546 6.640 ( 3.996 2.307 -4.162) 6.214 6.810 ( 0.526 0.304 5.615) 5.648 7.245 ( -0.901 -0.520 6.558) 6.640 7.349 ( 4.287 2.475 -2.919) 5.747 7.738 ( 14.827 8.561 -5.198) 17.893 8.227 ( 18.602 10.740 -5.895) 22.274 8.293 ( 8.723 5.036 -8.612) 13.252 8.789 ( -10.674 -6.163 1.893) 12.470 9.213 ( 1.388 0.801 1.222) 2.015 9.389 ( -0.961 -0.555 -2.740) 2.957 9.745 ( -4.402 -2.542 1.056) 5.192 10.013 ( 10.153 5.862 2.792) 12.051 10.501 ( -7.118 -4.109 -5.320) 9.791 10.788 ( -0.990 -0.571 -9.669) 9.736 11.134 ( -0.630 -0.364 -5.700) 5.746 11.570 ( -6.755 -3.900 2.685) 8.249 11.860 ( -6.506 -3.756 8.914) 11.657 11.878 ( -8.553 -4.938 2.390) 10.161 12.155 ( 3.012 1.739 -3.378) 4.849 12.542 ( 16.648 9.612 14.681) 24.188 13.655 ( -14.341 -8.280 -3.117) 16.851 14.082 ( -13.126 -7.578 -2.023) 15.291 14.264 ( -2.966 -1.712 -4.117) 5.355 14.590 ( -2.700 -1.559 3.564) 4.735 14.816 ( 2.531 1.461 1.029) 3.098 15.275 ( -7.333 -4.234 -4.854) 9.760 15.680 ( -9.855 -5.690 1.359) 11.460 15.896 ( 7.624 4.402 -29.526) 30.811 16.406 ( 7.138 4.121 -18.916) 20.634 17.752 ( 7.632 4.406 -5.191) 10.228 17.995 ( 2.496 1.441 4.796) 5.596 19.107 ( 1.286 0.743 -9.108) 9.228 19.443 ( -3.878 -2.239 -1.146) 4.622 19.585 ( -0.341 -0.197 2.667) 2.696 19.737 ( 0.727 0.420 9.701) 9.738 20.154 ( -9.312 -5.376 7.085) 12.877 20.341 ( -3.510 -2.027 1.329) 4.266 20.989 ( -5.375 -3.103 11.949) 13.465 21.472 ( -1.292 -0.746 -6.232) 6.408 21.726 ( 1.217 0.702 0.008) 1.405 23.054 ( -34.762 -20.070 31.841) 51.235 28.564 ( 2.342 1.352 0.645) 2.780 29.220 ( 1.278 0.738 1.598) 2.175 29.256 ( 6.160 3.556 1.271) 7.225 29.883 ( -1.091 -0.630 -1.020) 1.620 37.443 ( 2.105 1.215 -0.189) 2.437 37.838 ( -4.359 -2.517 -5.739) 7.634 38.219 ( 3.342 1.929 -8.598) 9.424 38.611 ( -3.227 -1.863 2.154) 4.304 38.928 ( 10.233 5.908 -4.695) 12.715 39.529 ( -1.436 -0.829 8.655) 8.813 40.037 ( 5.804 3.351 2.336) 7.098 41.193 ( 49.428 28.537 -50.820) 76.421 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 10.970 6.334 8.077) 15.023 2.710 ( 10.353 5.977 19.870) 23.189 3.911 ( 13.867 8.006 20.333) 25.881 4.048 ( 12.079 6.974 39.688) 42.067 4.595 ( 30.487 17.602 17.528) 39.326 5.661 ( 6.256 3.612 13.789) 15.566 6.065 ( 8.330 4.810 1.573) 9.747 6.549 ( 3.788 2.187 -19.040) 19.535 6.847 ( -4.321 -2.495 4.403) 6.655 7.334 ( 2.992 1.728 -0.499) 3.491 7.520 ( 7.310 4.220 13.113) 15.595 7.770 ( 9.644 5.568 -12.033) 16.395 8.135 ( 1.845 1.065 -2.504) 3.288 8.630 ( 4.461 2.576 5.340) 7.420 8.759 ( 14.310 8.262 -3.352) 16.860 9.148 ( -0.694 -0.401 -8.993) 9.029 9.393 ( 0.372 0.215 4.667) 4.686 9.703 ( -5.262 -3.038 2.522) 6.578 10.204 ( 9.261 5.347 -2.307) 10.940 10.290 ( -12.740 -7.356 -2.344) 14.897 10.665 ( 3.629 2.095 -5.996) 7.315 11.125 ( 6.699 3.868 -1.075) 7.810 11.496 ( -5.623 -3.246 2.355) 6.907 11.762 ( -10.160 -5.866 4.669) 12.627 11.861 ( -1.880 -1.086 0.511) 2.231 12.166 ( 3.234 1.867 -2.150) 4.309 13.025 ( 4.138 2.389 4.527) 6.582 13.203 ( -11.862 -6.849 -5.257) 14.672 13.968 ( -7.560 -4.365 6.129) 10.667 14.138 ( -2.713 -1.566 -5.322) 6.175 14.586 ( -4.390 -2.535 3.016) 5.899 14.865 ( 2.541 1.467 -0.281) 2.948 15.113 ( -6.778 -3.913 -1.195) 7.917 15.466 ( -9.671 -5.584 -9.764) 14.834 15.581 ( -0.415 -0.239 -16.008) 16.015 16.240 ( 1.531 0.884 -9.887) 10.044 17.789 ( 5.203 3.004 -3.573) 6.990 18.119 ( 3.157 1.823 4.873) 6.086 18.976 ( -1.001 -0.578 -7.729) 7.815 19.361 ( -3.958 -2.285 -0.778) 4.636 19.616 ( -0.842 -0.486 2.492) 2.675 19.904 ( 2.261 1.306 8.720) 9.103 20.138 ( -3.185 -1.839 3.063) 4.786 20.306 ( -3.847 -2.221 1.568) 4.711 21.081 ( -1.373 -0.792 6.806) 6.988 21.348 ( -1.540 -0.889 -6.472) 6.712 21.740 ( 0.265 0.153 0.270) 0.408 22.993 ( -17.025 -9.829 13.990) 24.129 28.605 ( 1.607 0.928 0.516) 1.926 29.262 ( 1.096 0.633 1.263) 1.787 29.398 ( 7.948 4.589 2.092) 9.413 29.829 ( -3.256 -1.880 -1.591) 4.082 37.476 ( 2.725 1.573 -0.740) 3.233 37.694 ( -5.268 -3.042 -2.421) 6.548 38.147 ( 2.456 1.418 -6.368) 6.971 38.596 ( -3.335 -1.926 2.659) 4.680 38.998 ( 5.578 3.220 -2.480) 6.902 39.643 ( -1.054 -0.609 8.081) 8.172 40.153 ( 4.582 2.646 1.538) 5.510 41.194 ( 25.080 14.480 -25.874) 38.835 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.144 1.815 2.499) 4.407 2.998 ( 2.231 1.288 5.967) 6.499 4.461 ( 18.482 10.671 14.417) 25.755 4.822 ( 9.741 5.624 27.386) 29.606 5.101 ( 10.933 6.312 1.869) 12.762 5.362 ( -24.083 -13.905 1.116) 27.831 6.167 ( -2.375 -1.371 -24.139) 24.295 6.504 ( 13.958 8.059 2.612) 16.328 6.847 ( -1.855 -1.071 2.142) 3.030 7.353 ( 2.915 1.683 -2.715) 4.324 7.739 ( 2.099 1.212 -0.665) 2.514 7.903 ( 7.463 4.309 10.074) 13.257 8.189 ( 1.945 1.123 4.549) 5.073 8.717 ( -1.011 -0.584 -7.432) 7.523 8.810 ( 5.522 3.188 0.843) 6.432 9.175 ( 12.470 7.200 2.476) 14.611 9.468 ( -1.125 -0.649 -1.267) 1.815 9.558 ( -12.422 -7.172 -0.999) 14.378 10.076 ( -6.549 -3.781 -0.795) 7.604 10.236 ( 2.914 1.682 -3.572) 4.908 10.679 ( 1.200 0.693 -0.556) 1.493 11.281 ( 10.493 6.058 -1.010) 12.159 11.472 ( -3.209 -1.853 2.110) 4.264 11.772 ( -2.448 -1.413 7.530) 8.043 11.857 ( 3.328 1.922 1.509) 4.129 12.184 ( 1.659 0.958 -0.420) 1.961 12.503 ( -19.570 -11.299 -13.801) 26.478 13.429 ( 4.270 2.465 2.664) 5.604 14.006 ( -5.609 -3.238 8.897) 11.005 14.099 ( 8.869 5.120 -1.820) 10.401 14.530 ( -6.203 -3.581 0.495) 7.179 14.888 ( 1.721 0.993 -0.404) 2.028 15.035 ( -4.587 -2.649 2.286) 5.769 15.122 ( -4.102 -2.368 -13.705) 14.500 15.435 ( -1.010 -0.583 -2.941) 3.164 16.161 ( 0.196 0.113 -2.486) 2.496 17.807 ( 1.761 1.017 -1.269) 2.397 18.219 ( 1.559 0.900 2.340) 2.952 18.866 ( -0.881 -0.509 -3.427) 3.575 19.307 ( -1.616 -0.933 -0.223) 1.879 19.633 ( -0.406 -0.234 0.996) 1.100 20.059 ( 2.250 1.299 5.563) 6.139 20.133 ( -0.213 -0.123 -0.551) 0.603 20.261 ( -3.048 -1.760 0.084) 3.520 21.155 ( -0.106 -0.061 4.385) 4.386 21.238 ( -0.826 -0.477 -4.923) 5.015 21.744 ( -0.004 -0.002 0.125) 0.125 22.952 ( -5.233 -3.021 3.975) 7.233 28.628 ( 0.553 0.319 0.201) 0.670 29.289 ( 0.434 0.251 0.496) 0.705 29.554 ( 6.713 3.876 1.922) 7.986 29.734 ( -4.819 -2.782 -1.717) 5.823 37.503 ( 2.032 1.173 -0.813) 2.483 37.606 ( -3.030 -1.749 -0.173) 3.503 38.106 ( 0.888 0.513 -2.299) 2.517 38.587 ( -1.331 -0.768 1.069) 1.871 39.031 ( 1.773 1.023 -0.816) 2.203 39.725 ( -0.403 -0.233 3.377) 3.409 40.220 ( 1.713 0.989 0.421) 2.023 41.194 ( 7.909 4.566 -8.196) 12.271 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 33.626 29.521) 44.745 1.697 ( 0.000 33.881 37.095) 50.239 2.624 ( 0.000 22.353 61.313) 65.261 3.191 ( 0.000 -13.971 27.297) 30.665 3.717 ( 0.000 19.637 13.750) 23.973 4.258 ( 0.000 25.890 21.743) 33.809 6.471 ( 0.000 -9.506 11.678) 15.058 6.588 ( -0.000 -1.693 -0.044) 1.694 6.818 ( 0.000 9.252 9.083) 12.965 7.312 ( -0.000 0.313 -1.723) 1.752 7.327 ( -0.000 -4.714 -2.128) 5.172 7.524 ( 0.000 11.988 -0.114) 11.989 7.747 ( 0.000 21.452 -2.030) 21.548 8.284 ( -0.000 -3.900 -19.726) 20.108 9.021 ( -0.000 -8.302 -4.479) 9.433 9.160 ( 0.000 -2.604 9.902) 10.239 9.406 ( -0.000 4.189 -6.101) 7.400 9.773 ( 0.000 2.747 5.154) 5.840 9.918 ( 0.000 0.991 -0.500) 1.110 10.508 ( -0.000 2.223 -11.556) 11.768 10.867 ( -0.000 -8.948 -6.477) 11.046 11.141 ( -0.000 -2.315 -6.868) 7.248 11.634 ( -0.000 -20.957 8.958) 22.791 11.969 ( 0.000 -1.135 1.789) 2.119 12.011 ( 0.000 0.410 2.361) 2.397 12.214 ( 0.000 3.112 3.573) 4.739 12.312 ( 0.000 11.045 9.970) 14.879 13.835 ( -0.000 -17.700 0.040) 17.700 14.194 ( -0.000 -6.906 -6.607) 9.558 14.299 ( -0.000 -3.485 -5.206) 6.264 14.560 ( -0.000 -12.811 2.157) 12.991 14.803 ( 0.000 2.516 0.465) 2.559 15.318 ( -0.000 1.522 -10.736) 10.843 15.622 ( 0.000 31.925 -18.730) 37.014 15.865 ( 0.000 2.330 -0.512) 2.385 16.377 ( -0.000 0.280 -10.073) 10.077 17.625 ( -0.000 6.034 -5.758) 8.341 17.967 ( 0.000 3.771 4.278) 5.703 19.067 ( -0.000 3.893 -10.349) 11.057 19.509 ( -0.000 -2.863 0.113) 2.866 19.562 ( 0.000 0.293 1.544) 1.571 19.744 ( 0.000 1.560 10.804) 10.916 20.301 ( -0.000 -1.359 -0.787) 1.571 20.381 ( -0.000 -0.551 0.517) 0.756 21.089 ( -0.000 -13.420 7.394) 15.322 21.485 ( -0.000 -1.191 -5.749) 5.871 21.712 ( 0.000 3.420 0.493) 3.456 23.856 ( -0.000 -73.415 24.940) 77.536 28.536 ( 0.000 2.729 1.374) 3.055 29.164 ( 0.000 1.910 1.001) 2.157 29.212 ( 0.000 2.307 2.135) 3.143 29.900 ( -0.000 -0.992 0.113) 0.999 37.266 ( -0.000 -5.172 -5.885) 7.835 37.817 ( 0.000 27.277 -14.675) 30.974 38.164 ( -0.000 -0.738 -3.495) 3.572 38.650 ( 0.000 9.265 -6.573) 11.360 38.746 ( 0.000 15.068 4.108) 15.618 39.557 ( 0.000 -1.374 8.007) 8.124 39.828 ( 0.000 18.864 -8.523) 20.700 40.480 ( 0.000 40.696 -4.715) 40.968 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -11.476 25.066 27.032) 38.610 2.471 ( 4.339 11.939 30.698) 33.222 3.477 ( 27.985 15.069 14.406) 34.896 3.870 ( 7.539 16.252 33.854) 38.302 4.125 ( -5.728 10.623 43.095) 44.753 5.026 ( 23.161 29.290 30.209) 48.031 6.405 ( -6.621 -7.430 -7.801) 12.645 6.545 ( -7.720 -5.517 -0.555) 9.505 6.985 ( -6.960 6.933 7.556) 12.394 7.249 ( 2.748 2.081 -7.040) 7.839 7.342 ( 4.239 2.502 6.008) 7.766 7.643 ( 0.440 5.915 2.475) 6.427 8.009 ( 13.698 10.016 -3.406) 17.308 8.116 ( 15.146 12.921 -1.252) 19.948 8.802 ( -4.233 -12.219 -6.211) 14.345 9.253 ( -6.897 8.213 -0.791) 10.754 9.405 ( 0.596 2.608 2.195) 3.461 9.793 ( -0.938 -2.668 -0.289) 2.843 9.961 ( 5.933 2.571 0.022) 6.466 10.428 ( 4.221 1.786 -4.148) 6.181 10.668 ( -5.817 -7.928 -6.412) 11.739 11.066 ( 0.415 0.311 -1.532) 1.618 11.574 ( -1.592 -17.032 2.418) 17.277 11.924 ( -3.484 -3.831 -0.357) 5.190 11.986 ( -0.660 2.864 -4.171) 5.102 12.211 ( -9.827 7.349 1.171) 12.326 12.701 ( 9.906 10.220 17.956) 22.913 13.607 ( -9.650 -15.708 -9.235) 20.619 14.063 ( 0.825 -6.894 -4.305) 8.170 14.175 ( 0.625 -6.366 -5.961) 8.744 14.533 ( 3.970 -10.988 1.890) 11.835 14.806 ( 1.650 -0.961 -1.741) 2.584 15.180 ( 0.921 -5.076 -6.470) 8.275 15.515 ( -3.321 12.811 -14.805) 19.858 15.793 ( -7.691 1.366 -5.090) 9.323 16.204 ( 1.601 2.235 -12.326) 12.629 17.635 ( 5.172 8.479 -4.323) 10.832 18.066 ( 1.212 3.994 4.324) 6.010 18.949 ( 1.552 4.182 -10.260) 11.187 19.464 ( -3.578 -2.748 -0.132) 4.513 19.600 ( 1.617 0.103 1.307) 2.082 19.915 ( -1.309 1.207 11.000) 11.143 20.251 ( -4.807 -0.955 0.203) 4.906 20.380 ( -0.876 -1.083 0.677) 1.549 21.110 ( -0.765 -8.263 6.371) 10.462 21.369 ( -0.329 -2.768 -7.014) 7.548 21.738 ( -0.019 2.604 0.082) 2.605 23.561 ( -22.279 -42.529 13.906) 49.985 28.587 ( 0.088 4.064 1.786) 4.440 29.222 ( 3.104 1.772 1.707) 3.961 29.272 ( 1.097 3.232 2.709) 4.358 29.884 ( -1.339 -1.450 -0.109) 1.976 37.224 ( 14.106 -8.562 -6.920) 17.894 37.751 ( -1.789 10.781 -9.774) 14.662 38.127 ( 0.580 -5.635 0.695) 5.707 38.621 ( 2.223 12.732 -8.988) 15.743 38.904 ( 0.182 6.777 5.237) 8.566 39.646 ( 1.490 -1.857 4.117) 4.756 39.940 ( 8.860 19.489 -4.627) 21.902 40.780 ( 7.024 20.617 6.728) 22.796 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -16.056 10.330 21.007) 28.387 2.919 ( 1.931 0.177 17.815) 17.920 4.092 ( 12.786 25.939 12.918) 31.673 4.432 ( 18.671 15.952 14.190) 28.363 4.928 ( 3.477 2.078 43.002) 43.192 5.906 ( 14.485 18.566 10.125) 25.633 6.041 ( -14.874 -7.217 -11.780) 20.300 6.318 ( -6.278 7.054 -2.091) 9.672 6.962 ( -7.576 -3.473 1.918) 8.552 7.260 ( 3.259 3.425 0.447) 4.748 7.568 ( 11.998 5.143 1.262) 13.115 7.762 ( 1.999 0.699 13.373) 13.540 8.138 ( 1.607 6.894 6.263) 9.452 8.531 ( 19.852 6.973 -1.251) 21.078 8.680 ( 4.051 -3.518 3.005) 6.149 9.102 ( -8.319 10.051 -8.086) 15.349 9.466 ( -1.577 1.296 2.814) 3.476 9.787 ( -4.466 -3.742 2.812) 6.470 10.025 ( 12.290 4.044 -7.119) 14.767 10.397 ( -14.355 -8.478 0.531) 16.680 10.539 ( 9.596 5.593 -2.333) 11.350 11.088 ( 1.910 0.433 1.159) 2.276 11.496 ( 0.440 -6.220 -0.083) 6.236 11.865 ( -3.547 -3.304 3.189) 5.802 11.920 ( -3.796 1.742 -2.041) 4.649 12.181 ( -4.240 4.889 0.852) 6.527 13.009 ( -13.840 -8.698 -9.511) 18.912 13.229 ( 3.852 0.219 5.794) 6.961 13.988 ( 0.245 -9.717 -5.791) 11.314 14.073 ( 3.025 -3.213 0.617) 4.456 14.538 ( 6.259 -9.114 -0.991) 11.101 14.779 ( 5.200 -6.602 -3.507) 9.106 15.065 ( -0.773 -4.499 -4.314) 6.281 15.281 ( -9.722 0.571 -9.639) 13.702 15.594 ( -8.612 13.719 -11.340) 19.773 16.107 ( 5.036 -0.870 -6.373) 8.169 17.704 ( 5.242 7.928 -2.703) 9.881 18.182 ( 1.672 4.410 4.112) 6.257 18.838 ( 1.838 2.105 -9.108) 9.527 19.395 ( -4.627 -2.075 0.135) 5.073 19.629 ( 0.896 0.073 0.085) 0.903 20.066 ( -2.062 2.011 9.562) 9.987 20.195 ( -4.396 -0.457 0.367) 4.435 20.358 ( -3.323 -1.877 0.480) 3.847 21.150 ( 0.340 -5.779 5.254) 7.817 21.238 ( 0.737 -3.798 -6.701) 7.738 21.750 ( -0.335 2.062 -0.289) 2.109 23.244 ( -16.895 -25.207 6.088) 30.950 28.639 ( -1.221 4.486 1.708) 4.953 29.284 ( 0.678 1.075 1.784) 2.191 29.385 ( 5.727 4.394 2.989) 7.812 29.839 ( -3.366 -2.215 -0.543) 4.066 37.240 ( 16.785 -8.065 -7.555) 20.096 37.647 ( -1.969 2.180 -5.922) 6.611 38.118 ( 0.524 -7.941 3.296) 8.613 38.594 ( 1.555 14.342 -9.409) 17.223 39.006 ( -1.499 2.399 5.169) 5.893 39.695 ( 3.643 -1.044 -0.656) 3.846 40.100 ( 5.613 15.581 -2.466) 16.744 41.105 ( 0.205 9.980 15.971) 18.834 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -18.416 1.910 15.582) 24.199 3.060 ( -5.101 -3.780 4.983) 8.071 4.504 ( 7.876 15.894 -5.366) 18.532 4.843 ( 14.915 15.823 1.760) 21.815 5.240 ( -11.389 -6.515 -7.874) 15.302 5.620 ( -32.174 -5.833 -2.371) 32.784 5.948 ( 12.022 13.351 13.665) 22.572 6.662 ( -1.022 3.907 12.928) 13.544 6.917 ( -1.801 -3.618 5.240) 6.618 7.337 ( 0.678 3.514 3.239) 4.827 7.710 ( 4.957 2.864 2.751) 6.352 7.981 ( 0.798 -1.777 2.387) 3.081 8.292 ( -4.863 2.861 6.315) 8.468 8.598 ( 8.668 -2.389 1.218) 9.073 8.832 ( 3.985 0.150 5.022) 6.413 9.176 ( 7.756 17.289 3.600) 19.288 9.447 ( -3.225 -0.848 -2.987) 4.477 9.622 ( -11.640 -9.679 -3.095) 15.451 10.139 ( 9.692 6.957 -2.101) 12.114 10.187 ( -12.143 -6.501 3.820) 14.294 10.663 ( 3.788 4.536 -0.086) 5.910 11.180 ( 9.854 4.764 -0.261) 10.948 11.457 ( 0.450 -0.024 -4.022) 4.047 11.873 ( -5.509 -0.354 3.322) 6.443 11.952 ( -0.190 -1.097 8.236) 8.310 12.199 ( 0.664 1.512 2.051) 2.634 12.431 ( -18.164 -11.261 -13.205) 25.122 13.449 ( 2.691 -0.543 5.078) 5.772 13.780 ( 7.272 -6.061 -15.495) 18.158 14.197 ( 2.756 -6.270 8.866) 11.203 14.493 ( 3.615 -4.674 -7.400) 9.469 14.757 ( 12.365 -8.629 -3.283) 15.432 14.977 ( -5.400 4.349 -1.566) 7.108 15.085 ( -3.984 -0.310 -1.990) 4.464 15.497 ( -2.544 16.757 -5.670) 17.873 16.104 ( 6.181 -2.420 -1.109) 6.730 17.778 ( 3.093 5.797 -0.473) 6.588 18.258 ( -1.472 3.709 0.593) 4.034 18.779 ( 5.123 1.243 -4.010) 6.623 19.340 ( -3.714 -0.779 0.689) 3.857 19.623 ( 0.325 0.489 -2.018) 2.102 20.131 ( -3.281 1.142 -1.072) 3.636 20.194 ( -3.615 2.149 6.414) 7.670 20.277 ( -4.609 -3.010 -2.206) 5.930 21.132 ( 2.129 -6.594 -4.183) 8.094 21.209 ( 1.244 -2.478 4.534) 5.315 21.752 ( -0.597 2.164 -0.482) 2.296 23.000 ( -8.146 -15.162 -0.478) 17.219 28.669 ( -2.739 4.106 1.288) 5.101 29.309 ( -1.041 0.669 1.095) 1.652 29.539 ( 6.481 3.740 2.926) 8.035 29.757 ( -5.359 -2.762 -0.754) 6.076 37.283 ( 17.157 -4.905 -7.113) 19.210 37.560 ( -0.063 -3.375 -3.241) 4.680 38.130 ( 1.922 -9.396 4.052) 10.411 38.571 ( -0.027 15.431 -7.779) 17.281 39.069 ( -2.847 0.815 5.084) 5.884 39.690 ( 2.961 0.283 -4.952) 5.776 40.198 ( 1.599 9.251 -1.784) 9.556 41.415 ( -8.674 3.807 24.828) 26.574 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -21.294 -2.521 10.016) 23.667 2.921 ( -11.360 -5.622 -5.722) 13.906 4.138 ( -6.197 -0.975 -38.749) 39.253 4.663 ( -29.130 -3.894 -17.212) 34.058 5.101 ( -8.339 -1.804 -10.768) 13.738 5.403 ( -0.321 16.416 11.613) 20.111 6.478 ( 1.865 9.150 20.268) 22.316 6.686 ( -4.060 -5.091 2.489) 6.971 6.920 ( -14.889 -0.640 4.772) 15.648 7.425 ( -2.029 -5.719 6.122) 8.620 7.690 ( -9.101 -2.151 -10.945) 14.396 7.942 ( -0.239 -1.381 10.014) 10.112 8.164 ( -10.448 -3.278 -4.880) 11.989 8.763 ( 0.487 -6.889 3.771) 7.868 8.885 ( -1.574 -5.505 4.299) 7.160 9.252 ( -5.278 1.367 -0.241) 5.457 9.473 ( -0.837 5.417 -3.688) 6.607 9.519 ( 5.171 8.850 4.974) 11.393 10.111 ( -2.323 -2.772 5.064) 6.223 10.297 ( 3.004 2.907 4.557) 6.184 10.701 ( -0.173 2.637 0.139) 2.646 11.288 ( 4.089 -2.019 -1.869) 4.929 11.410 ( 2.215 0.563 -3.161) 3.901 11.672 ( -15.881 -7.710 -7.663) 19.245 11.920 ( -3.660 5.165 -0.430) 6.344 12.227 ( -1.031 -2.017 3.447) 4.125 12.534 ( 21.411 8.466 13.427) 26.653 13.372 ( -4.472 -8.224 -10.767) 14.267 13.709 ( 12.691 0.239 -6.594) 14.303 14.148 ( -2.661 -10.480 -1.712) 10.948 14.450 ( 5.404 5.899 -5.596) 9.763 14.844 ( 9.353 -9.419 0.227) 13.276 14.967 ( 0.545 5.285 0.962) 5.400 15.146 ( 8.962 -1.067 4.853) 10.247 15.598 ( 2.482 18.752 2.913) 19.138 16.211 ( 6.780 0.419 7.225) 9.917 17.840 ( 0.122 3.012 2.002) 3.619 18.208 ( -4.294 1.990 -4.191) 6.322 18.862 ( 7.853 1.834 2.423) 8.421 19.323 ( -1.201 0.723 1.096) 1.780 19.585 ( 0.822 1.626 -4.544) 4.895 20.039 ( -6.858 -0.246 -4.205) 8.048 20.133 ( -3.349 -0.992 -4.588) 5.766 20.272 ( -1.386 2.583 2.885) 4.113 21.042 ( 2.182 -8.097 -4.764) 9.645 21.302 ( 2.138 -1.138 6.223) 6.678 21.754 ( -0.976 2.958 -0.163) 3.119 22.814 ( -0.334 -9.101 -6.805) 11.369 28.670 ( -3.851 3.139 0.752) 5.025 29.302 ( -2.153 0.122 0.131) 2.161 29.585 ( -5.947 -3.324 -0.642) 6.843 29.734 ( 3.475 2.543 2.353) 4.907 37.367 ( 15.693 -0.768 -5.265) 16.570 37.500 ( 3.331 -7.564 -1.701) 8.439 38.157 ( 4.726 -9.213 2.381) 10.624 38.573 ( -2.022 15.064 -3.910) 15.694 39.109 ( -4.680 0.443 5.344) 7.118 39.620 ( 1.082 1.395 -7.693) 7.893 40.208 ( -1.711 2.849 -2.179) 3.975 41.726 ( -16.937 0.010 33.992) 37.978 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -22.833 -8.830 -4.387) 24.871 2.539 ( -25.063 -2.262 -11.518) 27.675 3.402 ( -11.541 -8.951 -32.926) 36.020 4.047 ( -31.866 8.830 -16.240) 36.839 4.588 ( -27.257 -15.396 -13.600) 34.131 5.698 ( -6.080 9.182 3.744) 11.631 6.246 ( -40.848 -7.492 -6.319) 42.007 6.718 ( -2.414 -6.817 1.306) 7.349 6.874 ( -4.827 8.112 5.592) 10.972 7.247 ( -3.679 0.755 -9.152) 9.893 7.517 ( -6.776 -5.205 -0.565) 8.563 8.049 ( -3.164 -10.041 13.595) 17.195 8.155 ( 1.695 -2.298 2.979) 4.127 8.611 ( -4.578 -3.622 0.161) 5.840 8.893 ( -7.878 -8.522 3.997) 12.274 9.317 ( -11.594 9.468 -1.947) 15.094 9.373 ( -0.236 3.308 3.032) 4.494 9.637 ( 4.072 2.753 -1.333) 5.093 10.223 ( 1.606 0.440 0.475) 1.732 10.327 ( -2.970 -2.055 4.411) 5.701 10.755 ( 2.926 0.018 5.491) 6.222 11.171 ( -4.559 -7.626 -1.258) 8.974 11.378 ( 4.237 -6.420 -0.170) 7.694 11.613 ( 10.339 8.418 -2.341) 13.537 11.895 ( -4.214 10.301 -4.607) 12.045 12.255 ( -3.527 -1.744 4.717) 6.143 12.896 ( -4.526 -7.552 -13.579) 16.183 13.181 ( 17.713 5.410 7.973) 20.165 13.766 ( 11.940 3.402 -5.862) 13.729 14.140 ( 6.583 -3.554 2.862) 8.009 14.462 ( 6.084 0.400 -4.967) 7.865 14.839 ( 1.469 -3.518 -1.369) 4.051 15.076 ( 6.958 3.065 2.355) 7.960 15.344 ( 14.900 -3.245 2.392) 15.436 15.857 ( 7.063 12.418 7.587) 16.176 16.539 ( 4.657 7.257 23.307) 24.851 17.879 ( -3.126 -0.241 4.014) 5.093 18.085 ( -4.831 1.747 -5.377) 7.437 19.030 ( 7.580 1.918 4.768) 9.158 19.352 ( 2.640 0.950 0.467) 2.845 19.533 ( 2.032 3.652 -6.435) 7.673 19.856 ( -8.844 -0.836 -5.427) 10.410 20.016 ( 1.147 0.580 -9.845) 9.929 20.310 ( -1.686 4.294 1.755) 4.935 20.911 ( 1.723 -9.669 -7.645) 12.446 21.423 ( 2.617 -0.731 6.138) 6.712 21.768 ( -2.190 4.175 1.368) 4.909 22.633 ( 5.157 -6.013 -14.662) 16.665 28.645 ( -4.457 1.784 0.310) 4.811 29.267 ( -2.738 -0.341 -0.595) 2.822 29.444 ( -8.983 -3.872 -1.175) 9.852 29.836 ( 3.123 1.905 2.327) 4.335 37.411 ( 3.650 -4.023 -2.699) 6.065 37.559 ( 16.367 -2.856 -0.530) 16.623 38.187 ( 7.208 -6.702 -0.615) 9.861 38.611 ( -3.222 11.949 0.714) 12.396 39.126 ( -7.386 0.379 5.746) 9.365 39.511 ( -0.121 1.900 -8.139) 8.358 40.135 ( -3.976 -1.591 -3.105) 5.290 42.085 ( -23.240 -2.132 45.767) 51.373 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -24.765 -9.146 -27.069) 37.811 1.959 ( -42.537 -2.829 -8.575) 43.484 2.848 ( -19.392 -9.378 -6.255) 22.430 3.424 ( -42.195 10.714 -24.689) 50.047 3.958 ( -29.422 -15.512 -2.419) 33.349 5.046 ( -60.601 -10.654 -7.909) 62.037 6.077 ( 9.421 4.659 -4.809) 11.558 6.679 ( -2.469 -4.939 1.391) 5.694 6.839 ( -9.293 5.870 -3.414) 11.510 7.202 ( 0.531 3.942 1.114) 4.130 7.416 ( -5.182 -2.417 0.641) 5.753 7.895 ( -15.450 -12.446 -0.527) 19.846 8.317 ( 14.000 -0.548 2.312) 14.201 8.495 ( -25.671 -4.206 -0.619) 26.020 8.835 ( -5.914 0.893 10.367) 11.969 9.157 ( -4.294 2.081 -8.228) 9.512 9.429 ( -0.536 -1.758 1.552) 2.405 9.744 ( 5.295 6.187 3.734) 8.959 10.035 ( -9.235 -4.811 -5.151) 11.617 10.525 ( 8.810 3.921 7.879) 12.452 10.887 ( 3.368 -1.689 6.256) 7.303 11.150 ( 6.846 -4.177 -1.133) 8.099 11.405 ( 4.806 -9.765 1.819) 11.034 11.728 ( 2.112 7.953 -5.809) 10.072 11.843 ( 0.516 10.314 -4.511) 11.269 12.266 ( -5.113 -0.241 4.538) 6.841 12.490 ( -14.057 -4.411 -9.614) 17.592 13.444 ( 16.157 -4.358 -5.894) 17.742 13.991 ( 17.665 9.952 3.424) 20.563 14.263 ( 6.842 -1.372 4.068) 8.077 14.448 ( 6.105 -3.831 -4.464) 8.478 14.812 ( -0.405 -0.499 -1.054) 1.235 15.251 ( 11.605 2.627 3.716) 12.465 15.495 ( 13.319 -1.582 -2.765) 13.694 16.149 ( 11.061 4.866 7.461) 14.202 17.112 ( -1.325 6.944 40.706) 41.315 17.874 ( -5.229 -4.257 3.180) 7.455 17.999 ( -4.165 5.452 1.122) 6.952 19.189 ( 5.821 1.123 2.732) 6.528 19.385 ( 9.449 -0.128 -8.063) 12.422 19.499 ( 1.242 4.732 -3.695) 6.131 19.671 ( -8.058 1.267 -5.218) 9.683 19.840 ( 3.122 0.905 -17.777) 18.071 20.355 ( -1.593 6.216 1.962) 6.710 20.702 ( -0.034 -11.925 -11.425) 16.514 21.528 ( 2.864 -0.801 3.540) 4.624 21.810 ( -4.658 5.191 5.694) 9.004 22.370 ( 5.985 -5.570 -23.723) 25.092 28.600 ( -4.600 0.444 0.038) 4.621 29.218 ( -2.879 -0.696 -0.804) 3.069 29.307 ( -7.677 -1.997 -0.553) 7.951 29.897 ( 0.920 0.595 1.339) 1.730 37.381 ( 2.677 -4.558 -1.418) 5.473 37.764 ( 16.477 0.532 1.526) 16.556 38.218 ( 7.479 -3.115 -2.254) 8.409 38.673 ( -2.387 6.469 2.906) 7.482 39.109 ( -10.020 0.337 5.087) 11.243 39.412 ( 0.418 1.557 -5.736) 5.959 40.013 ( -4.832 -2.782 -2.995) 6.329 42.599 ( -21.372 -1.394 58.093) 61.915 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -34.821 0.000 0.000) 34.821 1.296 ( -50.098 0.000 0.000) 50.098 2.340 ( -85.153 0.000 0.000) 85.153 2.626 ( -17.164 0.000 0.000) 17.164 3.665 ( -14.429 0.000 0.000) 14.429 4.363 ( -34.352 0.000 0.000) 34.352 6.159 ( 8.679 -0.000 -0.000) 8.679 6.626 ( -3.317 0.000 0.000) 3.317 6.715 ( -8.915 0.000 0.000) 8.915 7.263 ( 3.906 -0.000 -0.000) 3.906 7.366 ( -2.702 0.000 0.000) 2.702 7.670 ( -13.124 0.000 0.000) 13.124 8.092 ( -31.360 0.000 0.000) 31.360 8.471 ( 11.266 -0.000 -0.000) 11.266 8.940 ( -5.003 0.000 0.000) 5.003 8.970 ( -3.852 0.000 0.000) 3.852 9.452 ( 4.081 -0.000 -0.000) 4.081 9.856 ( -7.379 0.000 0.000) 7.379 9.895 ( 4.246 -0.000 -0.000) 4.246 10.735 ( 10.158 -0.000 -0.000) 10.158 11.084 ( 1.308 -0.000 -0.000) 1.308 11.088 ( 9.396 -0.000 -0.000) 9.396 11.388 ( -2.182 0.000 0.000) 2.182 11.659 ( -3.277 0.000 0.000) 3.277 11.868 ( -0.546 0.000 0.000) 0.546 12.258 ( -4.524 0.000 0.000) 4.524 12.275 ( -7.455 0.000 0.000) 7.455 13.504 ( 10.758 -0.000 -0.000) 10.758 14.238 ( 12.831 -0.000 -0.000) 12.831 14.385 ( 2.304 -0.000 -0.000) 2.304 14.455 ( 8.789 -0.000 -0.000) 8.789 14.789 ( -2.107 0.000 0.000) 2.107 15.473 ( 13.634 -0.000 -0.000) 13.634 15.579 ( 9.302 -0.000 -0.000) 9.302 16.368 ( 11.318 -0.000 -0.000) 11.318 17.579 ( -2.381 0.000 0.000) 2.381 17.818 ( -3.571 0.000 0.000) 3.571 18.308 ( 16.409 -0.000 -0.000) 16.409 19.067 ( -3.105 0.000 0.000) 3.105 19.374 ( 6.296 -0.000 -0.000) 6.296 19.474 ( -2.499 0.000 0.000) 2.499 19.575 ( -4.436 0.000 0.000) 4.436 19.609 ( -4.437 0.000 0.000) 4.437 20.400 ( -3.200 0.000 0.000) 3.200 20.475 ( -2.335 0.000 0.000) 2.335 21.585 ( 2.502 -0.000 -0.000) 2.502 21.923 ( -4.415 0.000 0.000) 4.415 22.018 ( -2.006 0.000 0.000) 2.006 28.549 ( -3.928 0.000 0.000) 3.928 29.173 ( -2.527 0.000 0.000) 2.527 29.225 ( -4.533 0.000 0.000) 4.533 29.912 ( -0.277 0.000 0.000) 0.277 37.381 ( 2.142 -0.000 -0.000) 2.142 37.968 ( 12.971 -0.000 -0.000) 12.971 38.262 ( 5.244 -0.000 -0.000) 5.244 38.706 ( -1.021 0.000 0.000) 1.021 39.047 ( -8.009 0.000 0.000) 8.009 39.380 ( 0.979 -0.000 -0.000) 0.979 39.919 ( -4.095 0.000 0.000) 4.095 43.161 ( 2.094 -0.000 -0.000) 2.094 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.000 -0.431 19.835) 19.840 3.121 ( 0.000 18.375 30.198) 35.349 3.626 ( 0.000 33.604 12.848) 35.977 4.334 ( 0.000 13.087 13.586) 18.864 4.870 ( 0.000 4.189 42.592) 42.798 5.660 ( 0.000 29.087 39.005) 48.656 6.086 ( -0.000 -2.788 -24.845) 25.001 6.608 ( -0.000 -9.711 1.566) 9.836 7.086 ( -0.000 -1.904 -6.937) 7.193 7.250 ( 0.000 8.380 7.675) 11.363 7.450 ( 0.000 4.854 7.139) 8.633 7.732 ( 0.000 -1.792 4.688) 5.019 8.051 ( 0.000 20.941 7.297) 22.176 8.177 ( 0.000 13.167 10.030) 16.552 8.631 ( -0.000 -11.356 -5.064) 12.434 9.334 ( -0.000 7.689 -7.618) 10.824 9.482 ( 0.000 7.498 4.309) 8.648 9.692 ( -0.000 -6.723 -2.509) 7.176 9.935 ( -0.000 1.306 -3.086) 3.351 10.375 ( 0.000 4.965 -0.776) 5.026 10.600 ( -0.000 -6.953 -0.947) 7.017 11.083 ( -0.000 -2.526 2.309) 3.422 11.492 ( -0.000 -12.168 2.094) 12.347 11.917 ( 0.000 1.531 -1.144) 1.911 11.921 ( -0.000 0.517 -4.985) 5.012 12.327 ( 0.000 6.959 -1.794) 7.186 12.989 ( 0.000 10.292 16.471) 19.422 13.403 ( -0.000 -16.484 -11.361) 20.020 13.877 ( -0.000 -11.595 -7.362) 13.735 14.023 ( -0.000 -7.875 -5.009) 9.333 14.505 ( -0.000 -7.256 3.202) 7.931 14.681 ( -0.000 -5.558 -8.127) 9.846 15.084 ( -0.000 -2.274 -2.316) 3.246 15.431 ( -0.000 5.854 -10.281) 11.831 15.746 ( -0.000 -6.620 -6.801) 9.491 15.976 ( -0.000 8.804 -16.924) 19.076 17.633 ( 0.000 12.857 -1.978) 13.008 18.154 ( 0.000 5.127 4.295) 6.688 18.815 ( -0.000 4.750 -10.267) 11.312 19.466 ( -0.000 -2.430 -0.305) 2.449 19.608 ( 0.000 0.466 0.733) 0.869 20.098 ( 0.000 0.936 10.103) 10.146 20.276 ( -0.000 -0.866 -0.345) 0.932 20.387 ( 0.000 -0.323 1.259) 1.300 21.144 ( -0.000 -7.931 5.133) 9.448 21.224 ( -0.000 -4.827 -7.961) 9.310 21.755 ( 0.000 2.906 -0.441) 2.940 23.512 ( -0.000 -39.371 3.499) 39.526 28.662 ( 0.000 6.512 2.631) 7.024 29.246 ( 0.000 1.939 2.289) 3.000 29.334 ( 0.000 3.220 3.103) 4.472 29.882 ( -0.000 -2.154 0.181) 2.161 36.976 ( -0.000 -6.379 -6.693) 9.246 37.682 ( -0.000 7.379 -9.374) 11.929 38.087 ( -0.000 -12.678 2.247) 12.876 38.562 ( 0.000 13.891 -7.486) 15.780 39.056 ( 0.000 9.331 5.266) 10.715 39.615 ( 0.000 5.267 -4.881) 7.181 40.038 ( 0.000 13.372 4.396) 14.076 41.114 ( 0.000 11.699 22.370) 25.244 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -1.787 -13.119 11.453) 17.507 3.441 ( -25.267 15.372 21.412) 36.513 4.277 ( 22.878 35.950 8.134) 43.381 4.476 ( 2.438 4.827 -2.463) 5.942 5.384 ( -0.760 -2.608 2.839) 3.929 5.782 ( 0.118 13.379 10.848) 17.225 6.339 ( -18.638 -1.786 7.631) 20.218 6.549 ( 6.076 10.798 17.553) 21.485 6.944 ( -0.965 -4.329 -7.211) 8.466 7.412 ( -3.983 6.351 9.209) 11.874 7.575 ( -0.414 2.057 8.411) 8.669 7.899 ( 7.059 3.813 10.604) 13.298 8.283 ( 3.275 3.868 1.728) 5.354 8.485 ( 0.941 8.014 11.795) 14.291 8.615 ( 10.380 1.576 3.561) 11.087 9.208 ( -8.438 9.845 -1.379) 13.039 9.519 ( -2.567 -3.118 0.702) 4.099 9.752 ( 10.746 5.242 -5.094) 12.997 9.876 ( -1.017 0.915 -0.010) 1.368 10.450 ( 2.334 4.689 -1.121) 5.356 10.548 ( -5.538 -2.038 5.953) 8.382 11.032 ( 3.724 -6.529 -4.440) 8.730 11.526 ( -4.962 -1.168 6.745) 8.455 11.863 ( 3.449 -4.018 -0.180) 5.298 11.941 ( 1.193 4.676 0.726) 4.880 12.288 ( -6.015 4.721 -1.832) 7.863 12.963 ( -19.691 -12.792 -13.111) 26.894 13.305 ( 5.700 4.991 8.169) 11.142 13.719 ( 5.456 -15.020 -9.895) 18.795 13.979 ( 8.936 -3.767 1.190) 9.770 14.395 ( -2.050 -15.546 -5.964) 16.776 14.604 ( 4.701 0.022 -3.091) 5.626 15.042 ( -1.529 -2.044 -0.323) 2.573 15.266 ( -6.514 -1.739 -6.249) 9.192 15.533 ( -0.432 7.519 -15.202) 16.966 15.881 ( 9.119 3.691 -10.166) 14.146 17.722 ( 1.029 13.568 0.156) 13.608 18.269 ( 0.444 6.178 4.357) 7.573 18.695 ( 1.379 2.858 -9.105) 9.642 19.429 ( -2.640 -1.814 -0.118) 3.205 19.616 ( 0.256 0.950 -0.987) 1.393 20.202 ( -1.955 0.053 1.081) 2.235 20.258 ( -1.398 -2.639 4.187) 5.142 20.405 ( -4.205 1.266 2.392) 5.001 21.060 ( 2.807 -9.101 -6.510) 11.536 21.190 ( 0.323 -4.460 4.724) 6.505 21.766 ( -0.376 3.424 -0.557) 3.489 23.229 ( -7.490 -29.795 -1.290) 30.750 28.741 ( -2.454 7.626 2.717) 8.459 29.308 ( 1.581 1.159 2.224) 2.965 29.416 ( 2.142 3.636 3.244) 5.322 29.856 ( -2.307 -2.425 0.136) 3.349 36.904 ( 10.644 -6.030 -6.213) 13.721 37.576 ( -0.832 1.684 -7.268) 7.507 38.025 ( 4.207 -12.284 -1.987) 13.136 38.575 ( -0.139 10.233 -2.014) 10.431 39.177 ( -4.380 10.091 5.088) 12.120 39.592 ( 3.835 6.881 -6.876) 10.456 40.183 ( -0.049 6.312 4.768) 7.911 41.559 ( -3.084 8.429 27.740) 29.156 ======================= Grid point 22 (16/85) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -3.154 -15.271 2.711) 15.828 3.444 ( -28.846 6.968 11.716) 31.904 4.231 ( -2.303 6.242 -29.642) 30.379 4.775 ( 13.894 10.043 -4.298) 17.675 5.276 ( -8.341 10.608 5.404) 14.536 5.944 ( -31.307 -2.198 -2.687) 31.499 6.345 ( 4.590 15.536 25.925) 30.570 6.771 ( -2.428 -3.584 -1.867) 4.715 6.988 ( 6.466 4.317 8.901) 11.818 7.490 ( -5.765 3.558 4.391) 8.073 7.778 ( 5.460 2.438 11.169) 12.669 8.015 ( -9.859 -4.093 0.928) 10.715 8.407 ( 6.318 -2.160 1.573) 6.860 8.570 ( 1.445 1.984 6.024) 6.505 8.903 ( 3.228 4.938 11.512) 12.936 9.298 ( 0.252 9.204 2.892) 9.651 9.458 ( -3.358 -7.900 1.607) 8.733 9.637 ( -9.747 1.716 -2.785) 10.281 10.050 ( 11.948 9.853 0.648) 15.500 10.374 ( -12.344 -3.455 5.239) 13.847 10.658 ( 4.396 6.779 1.067) 8.150 11.076 ( 11.565 2.955 -0.371) 11.943 11.439 ( -8.713 -2.347 -2.493) 9.362 11.950 ( 1.008 1.891 2.770) 3.503 12.065 ( 6.964 -2.181 8.333) 11.077 12.205 ( -7.079 -4.022 -3.208) 8.751 12.453 ( -20.125 -2.653 -5.818) 21.117 13.394 ( 5.218 -8.906 -15.205) 18.378 13.510 ( -1.451 -5.063 3.807) 6.498 14.143 ( 15.072 -10.466 -10.453) 21.118 14.177 ( 3.996 -5.645 -0.199) 6.919 14.632 ( 3.557 -1.204 1.698) 4.121 15.040 ( 2.672 0.691 0.202) 2.768 15.117 ( -8.323 3.417 -1.758) 9.167 15.452 ( 9.694 13.861 -10.754) 20.043 15.910 ( 14.400 -1.467 -4.474) 15.151 17.836 ( -0.252 11.741 2.409) 11.988 18.324 ( -4.855 4.665 -0.685) 6.768 18.665 ( 7.326 2.916 -2.171) 8.179 19.385 ( -2.896 -1.272 0.299) 3.177 19.589 ( -0.851 2.180 -3.407) 4.133 20.135 ( -2.015 -2.613 -3.399) 4.738 20.261 ( -3.971 -4.445 -0.965) 6.038 20.379 ( -7.534 4.232 3.668) 9.388 20.964 ( 4.459 -10.752 -3.569) 12.175 21.256 ( 1.419 -2.993 5.887) 6.755 21.781 ( -1.037 4.919 0.136) 5.028 22.919 ( -6.426 -21.318 -4.782) 22.773 28.783 ( -5.183 6.925 2.102) 8.902 29.346 ( -0.884 0.271 1.363) 1.647 29.540 ( 5.431 3.206 3.158) 7.053 29.797 ( -4.871 -2.187 0.158) 5.342 36.942 ( 16.154 -4.416 -5.146) 17.520 37.471 ( 0.044 -3.144 -4.853) 5.782 37.967 ( 8.612 -9.001 -5.625) 13.668 38.626 ( -1.529 6.265 2.183) 6.808 39.255 ( -6.986 9.522 5.280) 12.936 39.574 ( 2.931 7.473 -7.521) 11.000 40.257 ( -2.046 0.046 3.381) 3.952 41.998 ( -6.618 6.301 29.963) 31.325 ======================= Grid point 23 (17/85) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -6.765 -14.272 -9.103) 18.230 3.242 ( -27.356 0.713 1.649) 27.415 3.693 ( -13.408 -0.189 -23.983) 27.477 4.661 ( -12.155 1.824 -11.658) 16.941 5.231 ( -28.241 4.398 -3.866) 28.841 5.714 ( -7.768 9.108 7.106) 13.921 6.647 ( 2.346 -0.239 0.203) 2.367 6.896 ( -2.554 13.161 17.739) 22.235 7.120 ( -4.991 6.873 1.455) 8.617 7.514 ( 0.717 -5.414 3.591) 6.536 7.714 ( -24.475 -2.968 -3.876) 24.957 8.062 ( 0.920 -0.573 5.288) 5.398 8.276 ( -12.923 -8.261 3.058) 15.640 8.712 ( 3.983 -10.226 1.442) 11.069 8.923 ( -10.683 -7.181 0.861) 12.901 9.284 ( 6.639 8.747 -0.521) 10.993 9.485 ( -0.032 -0.941 3.777) 3.892 9.707 ( -4.774 11.615 7.497) 14.625 10.163 ( 1.987 0.670 0.503) 2.157 10.401 ( -3.132 1.714 8.186) 8.930 10.726 ( -0.408 6.029 -0.657) 6.079 11.196 ( 3.024 -2.792 -0.660) 4.168 11.346 ( 2.444 -0.042 0.594) 2.516 11.760 ( -23.494 -6.266 -10.029) 26.302 11.979 ( -4.317 2.981 -0.487) 5.269 12.250 ( 5.368 -4.791 4.906) 8.709 12.540 ( 14.078 7.073 8.507) 17.905 13.122 ( 0.468 -4.109 -12.069) 12.758 13.553 ( 6.500 -3.838 -2.956) 8.106 13.999 ( 5.725 -11.616 -3.076) 13.311 14.250 ( 12.093 1.307 -8.655) 14.928 14.726 ( 5.612 -3.601 3.329) 7.453 15.045 ( -3.460 4.341 0.244) 5.557 15.110 ( 3.365 0.367 1.676) 3.777 15.618 ( 14.829 14.554 -2.365) 20.912 16.122 ( 25.052 0.304 4.161) 25.397 17.943 ( -2.353 7.947 4.274) 9.325 18.229 ( -7.116 3.043 -3.565) 8.521 18.810 ( 9.551 3.164 3.061) 10.517 19.348 ( -1.550 -1.513 -1.049) 2.407 19.533 ( -1.609 5.153 -4.414) 6.973 20.018 ( -1.119 -4.295 -6.433) 7.816 20.101 ( -9.339 -3.157 -3.630) 10.505 20.400 ( -4.930 5.221 3.416) 7.952 20.874 ( 1.866 -12.516 -3.281) 13.072 21.356 ( 2.710 -2.056 5.594) 6.547 21.822 ( -2.117 7.377 2.424) 8.049 22.636 ( -3.466 -15.452 -8.137) 17.804 28.778 ( -6.633 4.911 1.247) 8.347 29.336 ( -2.625 -0.309 0.389) 2.672 29.623 ( -2.410 -1.311 0.635) 2.816 29.759 ( 0.310 1.473 2.007) 2.509 37.069 ( 19.336 -1.675 -3.205) 19.671 37.386 ( 1.364 -6.196 -2.985) 7.012 37.943 ( 11.438 -5.353 -6.355) 14.138 38.684 ( -2.216 3.543 3.726) 5.599 39.306 ( -7.184 6.814 4.996) 11.090 39.529 ( -1.195 8.032 -6.555) 10.436 40.238 ( -4.344 -4.060 1.169) 6.059 42.418 ( -7.202 4.531 30.528) 31.692 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -16.031 -8.975 -16.721) 24.842 2.802 ( -26.225 -3.950 -12.390) 29.272 3.336 ( -21.971 -2.064 4.578) 22.538 4.254 ( -28.562 8.617 -12.082) 32.187 4.735 ( -36.313 -5.635 -4.980) 37.084 5.833 ( 3.233 5.106 1.937) 6.347 6.662 ( -14.556 1.753 4.134) 15.233 6.896 ( -49.455 -2.821 -2.041) 49.578 7.074 ( -12.158 7.936 -0.728) 14.537 7.263 ( -9.904 3.092 2.106) 10.587 7.513 ( -0.325 -5.681 -0.852) 5.754 8.004 ( 8.417 -0.819 -1.793) 8.645 8.202 ( -9.264 -17.385 -0.038) 19.699 8.690 ( 0.815 0.064 7.242) 7.288 8.911 ( 3.557 -4.677 1.212) 6.000 9.467 ( 1.132 5.139 2.787) 5.955 9.525 ( 1.958 9.428 1.295) 9.716 9.669 ( -20.340 1.848 1.541) 20.482 10.199 ( -0.664 -3.313 -2.183) 4.022 10.433 ( -2.997 0.803 4.556) 5.512 10.787 ( 2.713 3.464 3.637) 5.709 11.092 ( -6.108 -12.069 -4.464) 14.244 11.337 ( 1.443 -1.359 -0.115) 1.986 11.603 ( 3.236 3.640 5.819) 7.588 11.903 ( -2.858 7.365 -8.553) 11.644 12.322 ( 1.966 -4.073 2.871) 5.357 12.730 ( -1.593 2.894 -4.815) 5.839 13.060 ( 11.531 -5.077 -1.780) 12.725 13.621 ( 11.694 8.218 1.023) 14.330 14.043 ( 11.349 -8.881 3.398) 14.805 14.248 ( 10.961 -0.661 -8.994) 14.194 14.780 ( 2.718 -0.642 -0.295) 2.809 15.069 ( 1.503 2.191 1.107) 2.879 15.210 ( 8.998 -1.990 1.555) 9.345 15.861 ( 13.579 7.169 1.637) 15.443 16.638 ( 35.027 4.709 11.085) 37.040 17.990 ( -4.319 1.301 1.383) 4.718 18.141 ( -7.709 4.918 1.780) 9.316 18.996 ( 9.478 1.643 3.564) 10.259 19.268 ( 0.067 -1.565 -7.188) 7.357 19.516 ( -1.744 6.890 -0.515) 7.126 19.854 ( -1.786 -4.981 -7.731) 9.368 19.916 ( -10.627 -1.344 -2.545) 11.010 20.436 ( -4.333 7.561 3.023) 9.224 20.728 ( -1.535 -12.946 -4.453) 13.776 21.449 ( 3.493 -1.394 2.959) 4.785 21.912 ( -3.719 9.347 6.280) 11.859 22.358 ( -2.529 -12.139 -11.274) 16.758 28.735 ( -6.799 2.252 0.492) 7.179 29.298 ( -3.445 -0.387 -0.138) 3.470 29.523 ( -9.299 -1.927 -0.359) 9.503 29.842 ( 3.626 1.437 1.727) 4.266 37.271 ( 17.514 3.107 -1.786) 17.876 37.338 ( 6.155 -8.203 -0.651) 10.277 37.974 ( 12.053 -2.393 -4.290) 13.016 38.730 ( -2.032 1.969 2.769) 3.959 39.331 ( -6.030 2.068 4.625) 7.876 39.451 ( -5.646 6.793 -5.045) 10.173 40.147 ( -5.956 -4.102 -0.632) 7.259 42.827 ( -2.744 2.859 25.916) 26.218 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -25.837 0.000 0.000) 25.837 2.317 ( -34.044 0.000 0.000) 34.044 3.132 ( -22.783 0.000 0.000) 22.783 3.771 ( -39.231 0.000 0.000) 39.231 4.233 ( -33.400 0.000 0.000) 33.400 5.841 ( -81.716 0.000 0.000) 81.716 5.939 ( 8.330 -0.000 -0.000) 8.330 6.719 ( -3.865 0.000 0.000) 3.865 6.940 ( -9.299 0.000 0.000) 9.299 7.281 ( -4.748 0.000 0.000) 4.748 7.462 ( -3.448 0.000 0.000) 3.448 7.973 ( -10.372 0.000 0.000) 10.372 8.155 ( 13.409 -0.000 -0.000) 13.409 8.719 ( -10.723 0.000 0.000) 10.723 8.957 ( 4.669 -0.000 -0.000) 4.669 9.305 ( -31.494 0.000 0.000) 31.494 9.455 ( -3.827 0.000 0.000) 3.827 9.725 ( 10.533 -0.000 -0.000) 10.533 10.057 ( -8.788 0.000 0.000) 8.788 10.532 ( 6.077 -0.000 -0.000) 6.077 10.909 ( 2.474 -0.000 -0.000) 2.474 10.955 ( 7.627 -0.000 -0.000) 7.627 11.392 ( 2.695 -0.000 -0.000) 2.695 11.724 ( -0.637 0.000 0.000) 0.637 11.812 ( 1.793 -0.000 -0.000) 1.793 12.339 ( -0.510 0.000 0.000) 0.510 12.572 ( -14.368 0.000 0.000) 14.368 13.173 ( 15.515 -0.000 -0.000) 15.515 13.867 ( 15.853 -0.000 -0.000) 15.853 14.232 ( 12.625 -0.000 -0.000) 12.625 14.248 ( 8.213 -0.000 -0.000) 8.213 14.796 ( 1.177 -0.000 -0.000) 1.177 15.152 ( 9.461 -0.000 -0.000) 9.461 15.326 ( 10.364 -0.000 -0.000) 10.364 16.069 ( 13.393 -0.000 -0.000) 13.393 17.216 ( 34.324 -0.000 -0.000) 34.324 17.930 ( -5.306 0.000 0.000) 5.306 18.133 ( -3.857 0.000 0.000) 3.857 19.139 ( -2.910 0.000 0.000) 2.910 19.165 ( 10.210 -0.000 -0.000) 10.210 19.529 ( -2.080 0.000 0.000) 2.080 19.719 ( -3.886 0.000 0.000) 3.886 19.762 ( -10.376 0.000 0.000) 10.376 20.483 ( -3.239 0.000 0.000) 3.239 20.558 ( -4.491 0.000 0.000) 4.491 21.510 ( 3.579 -0.000 -0.000) 3.579 22.050 ( -5.757 0.000 0.000) 5.757 22.074 ( -2.507 0.000 0.000) 2.507 28.668 ( -6.036 0.000 0.000) 6.036 29.251 ( -3.690 0.000 0.000) 3.690 29.397 ( -9.423 0.000 0.000) 9.423 29.895 ( 2.097 -0.000 -0.000) 2.097 37.321 ( 2.513 -0.000 -0.000) 2.513 37.542 ( 21.436 -0.000 -0.000) 21.436 38.068 ( 10.706 -0.000 -0.000) 10.706 38.740 ( -1.623 0.000 0.000) 1.623 39.300 ( -12.376 0.000 0.000) 12.376 39.365 ( 0.176 -0.000 -0.000) 0.176 40.048 ( -6.301 0.000 0.000) 6.301 43.093 ( 3.415 -0.000 -0.000) 3.415 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -0.000 -17.667 3.474) 18.005 3.962 ( 0.000 7.996 -6.850) 10.529 4.299 ( 0.000 19.565 -5.306) 20.272 4.401 ( 0.000 4.465 3.198) 5.492 5.387 ( 0.000 10.019 4.129) 10.837 6.260 ( 0.000 11.702 27.182) 29.594 6.437 ( -0.000 -6.139 -4.771) 7.775 6.783 ( -0.000 3.497 -5.385) 6.421 6.877 ( 0.000 11.605 11.797) 16.548 7.551 ( 0.000 -0.272 4.315) 4.324 7.771 ( 0.000 -6.575 8.555) 10.789 8.075 ( 0.000 11.183 16.235) 19.714 8.283 ( -0.000 3.007 -5.092) 5.913 8.543 ( -0.000 -5.415 3.916) 6.683 8.840 ( 0.000 9.389 16.806) 19.251 9.328 ( 0.000 0.963 4.269) 4.377 9.504 ( -0.000 -0.957 -2.430) 2.612 9.705 ( 0.000 16.334 1.865) 16.440 9.955 ( 0.000 3.715 5.168) 6.364 10.473 ( 0.000 6.969 1.011) 7.042 10.722 ( 0.000 -0.530 10.185) 10.199 10.824 ( -0.000 -4.773 -8.174) 9.465 11.694 ( -0.000 -2.156 -2.985) 3.682 11.811 ( 0.000 -6.263 13.469) 14.854 11.963 ( 0.000 6.116 -2.077) 6.459 12.297 ( -0.000 0.363 -3.933) 3.949 12.858 ( -0.000 -8.527 -7.920) 11.638 13.275 ( -0.000 -3.537 -8.647) 9.343 13.530 ( -0.000 -9.729 -0.210) 9.731 13.920 ( 0.000 1.241 1.130) 1.678 14.175 ( -0.000 -18.673 -5.079) 19.352 14.590 ( 0.000 2.000 0.565) 2.078 14.969 ( -0.000 -7.045 -8.574) 11.097 15.199 ( -0.000 0.575 -6.817) 6.841 15.314 ( -0.000 1.669 -8.926) 9.081 15.724 ( 0.000 12.057 -10.674) 16.103 17.843 ( 0.000 15.045 2.464) 15.245 18.395 ( 0.000 7.721 5.389) 9.416 18.565 ( -0.000 1.872 -8.029) 8.244 19.424 ( -0.000 -1.993 -0.713) 2.117 19.604 ( 0.000 2.429 -2.233) 3.299 20.156 ( -0.000 -5.612 -4.274) 7.054 20.305 ( 0.000 -3.418 3.257) 4.721 20.510 ( 0.000 3.812 2.160) 4.382 20.880 ( -0.000 -10.730 -3.724) 11.358 21.239 ( 0.000 -3.723 5.577) 6.706 21.795 ( 0.000 5.500 0.290) 5.507 23.016 ( -0.000 -26.832 -5.445) 27.379 28.863 ( 0.000 9.119 2.911) 9.572 29.338 ( 0.000 0.371 2.369) 2.398 29.472 ( 0.000 2.669 2.675) 3.779 29.861 ( -0.000 -1.934 0.558) 2.013 36.727 ( -0.000 -4.100 -4.205) 5.873 37.478 ( -0.000 0.370 -6.580) 6.590 37.846 ( -0.000 -10.685 -6.251) 12.380 38.643 ( 0.000 2.881 3.818) 4.783 39.372 ( 0.000 12.753 5.536) 13.903 39.510 ( 0.000 10.390 -8.091) 13.169 40.285 ( 0.000 -1.912 5.652) 5.967 42.072 ( 0.000 7.842 27.876) 28.958 ======================= Grid point 31 (21/85) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -1.899 -15.096 -4.113) 15.761 3.597 ( -4.422 2.466 -27.168) 27.636 4.129 ( -18.109 0.605 -2.782) 18.331 4.705 ( 4.845 6.253 8.006) 11.254 5.583 ( -4.582 13.562 9.040) 16.931 6.183 ( -19.386 -4.430 -4.919) 20.485 6.546 ( 4.641 -0.595 1.361) 4.873 6.920 ( -0.123 12.198 15.433) 19.672 7.124 ( -0.031 20.218 5.699) 21.005 7.532 ( -0.970 -5.145 -2.740) 5.909 7.900 ( 3.846 2.073 8.410) 9.477 8.132 ( -4.623 -2.647 -3.980) 6.650 8.360 ( -1.851 -3.723 9.698) 10.552 8.593 ( 5.258 -5.759 2.559) 8.207 9.073 ( 6.467 -1.229 3.596) 7.501 9.402 ( -5.218 1.338 4.693) 7.144 9.493 ( -5.163 -0.300 7.186) 8.854 9.849 ( -10.682 13.710 3.376) 17.705 10.045 ( 2.551 6.894 3.359) 8.082 10.567 ( -3.161 5.457 4.573) 7.790 10.691 ( -0.159 3.032 3.360) 4.529 10.986 ( 10.820 3.312 5.409) 12.542 11.497 ( -10.513 -5.644 -4.013) 12.589 11.930 ( 0.681 3.173 -7.848) 8.493 12.057 ( 6.955 -7.571 11.177) 15.186 12.214 ( -1.757 -2.333 -0.675) 2.998 12.648 ( -15.506 2.601 -2.084) 15.860 13.125 ( -1.251 -7.324 -5.950) 9.519 13.399 ( 6.677 -11.758 -9.953) 16.790 13.895 ( -5.182 -7.315 0.037) 8.965 14.080 ( 2.070 -0.989 -3.081) 3.842 14.628 ( 5.474 -5.078 4.024) 8.482 14.875 ( 19.817 0.771 -9.954) 22.190 15.149 ( 8.657 2.243 -6.921) 11.308 15.246 ( -6.105 4.724 -1.178) 7.809 15.707 ( 8.389 7.588 -6.222) 12.910 17.983 ( -0.845 12.206 3.499) 12.725 18.397 ( -6.039 2.785 -3.380) 7.460 18.614 ( 6.282 6.543 3.914) 9.879 19.384 ( -0.928 -2.687 -1.846) 3.389 19.577 ( -1.405 4.780 -3.025) 5.828 20.023 ( 0.254 -9.054 -6.105) 10.922 20.280 ( -4.412 -4.717 -0.189) 6.461 20.510 ( -3.531 3.807 0.052) 5.192 20.817 ( 2.378 -8.951 0.313) 9.267 21.308 ( 1.106 -2.921 5.122) 5.999 21.860 ( -0.893 8.619 2.855) 9.123 22.727 ( -2.768 -21.417 -7.561) 22.880 28.933 ( -4.963 7.687 2.130) 9.395 29.372 ( -0.137 -0.625 1.530) 1.658 29.543 ( 3.709 1.773 2.041) 4.590 29.843 ( -3.038 -0.942 0.835) 3.289 36.707 ( 8.799 -2.454 -2.614) 9.502 37.383 ( -0.685 -1.812 -4.431) 4.836 37.715 ( 6.131 -7.196 -6.866) 11.684 38.717 ( -0.610 -0.280 4.784) 4.830 39.427 ( -2.410 3.543 -2.247) 4.838 39.562 ( -1.218 18.628 0.484) 18.674 40.318 ( -1.917 -6.799 3.981) 8.109 42.509 ( -1.458 6.114 23.445) 24.273 ======================= Grid point 32 (22/85) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -7.925 -8.705 -8.382) 14.451 3.178 ( -6.886 -1.136 -17.661) 18.990 3.875 ( -20.349 -1.688 1.307) 20.461 4.756 ( -13.881 3.945 1.621) 14.522 5.575 ( -24.788 4.239 -0.165) 25.149 5.875 ( -11.369 -1.968 -1.962) 11.704 6.656 ( 5.357 4.598 3.941) 8.085 7.152 ( 0.748 7.435 3.906) 8.432 7.340 ( -6.358 10.546 8.845) 15.162 7.433 ( 0.597 2.209 -4.147) 4.736 7.907 ( -4.927 -2.176 -1.122) 5.502 8.184 ( -6.150 -3.662 6.520) 9.682 8.328 ( -3.127 -7.795 0.344) 8.406 8.647 ( 2.044 -0.952 3.813) 4.430 9.026 ( -10.909 -9.669 -8.654) 16.953 9.323 ( -12.207 0.718 8.889) 15.118 9.496 ( 3.448 3.079 -2.211) 5.124 9.961 ( -1.727 6.621 9.451) 11.668 10.137 ( 0.951 4.106 -1.265) 4.401 10.590 ( -7.217 1.413 3.227) 8.031 10.810 ( -2.839 4.730 5.670) 7.911 11.145 ( 5.383 0.990 -0.112) 5.475 11.393 ( -2.155 -3.169 6.644) 7.670 11.724 ( -7.417 1.504 -15.101) 16.891 12.126 ( -16.584 -4.639 2.475) 17.397 12.198 ( 3.406 -4.819 2.293) 6.331 12.564 ( 4.788 7.312 2.126) 8.995 12.998 ( -0.014 -5.868 -4.404) 7.337 13.363 ( 11.086 1.428 -0.024) 11.177 13.769 ( 6.150 -12.800 -6.846) 15.765 14.058 ( 3.419 2.508 -3.553) 5.532 14.714 ( 2.326 -1.962 2.568) 3.982 15.047 ( 7.362 -1.716 3.481) 8.323 15.168 ( -4.667 4.785 -2.856) 7.269 15.325 ( 33.144 5.141 -4.784) 33.880 15.855 ( 20.150 2.471 -0.358) 20.304 18.070 ( -2.283 4.985 1.473) 5.677 18.315 ( -5.908 3.838 0.060) 7.045 18.799 ( 6.053 4.460 4.616) 8.823 19.299 ( -1.630 -2.851 -4.552) 5.613 19.563 ( -1.901 6.702 -0.870) 7.021 19.868 ( 0.366 -8.974 -5.571) 10.569 20.155 ( -8.445 -2.750 -1.409) 8.993 20.518 ( -1.855 4.057 1.150) 4.607 20.767 ( -1.658 -7.674 -0.341) 7.859 21.374 ( 2.512 -1.848 2.632) 4.080 21.983 ( -2.147 11.418 6.277) 13.206 22.435 ( -3.112 -16.406 -8.698) 18.828 28.918 ( -7.949 3.973 0.993) 8.942 29.367 ( -2.066 -0.721 0.386) 2.222 29.627 ( 3.318 0.243 0.873) 3.439 29.810 ( -3.525 0.316 0.993) 3.676 36.814 ( 15.568 -0.835 -1.148) 15.632 37.306 ( -0.446 -2.909 -2.207) 3.678 37.692 ( 10.451 -2.906 -4.444) 11.723 38.766 ( -1.003 -0.619 3.126) 3.341 39.387 ( -0.782 1.821 -2.320) 3.051 39.643 ( -7.260 12.491 1.694) 14.547 40.274 ( -4.133 -6.522 1.408) 7.848 42.840 ( 0.549 3.462 15.381) 15.775 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -15.001 0.000 0.000) 15.001 2.901 ( -15.024 0.000 0.000) 15.024 3.652 ( -20.298 0.000 0.000) 20.298 4.524 ( -25.595 0.000 0.000) 25.595 5.156 ( -39.746 0.000 0.000) 39.746 5.816 ( 1.063 -0.000 -0.000) 1.063 6.766 ( 1.252 -0.000 -0.000) 1.252 7.127 ( -9.020 0.000 0.000) 9.020 7.415 ( 8.272 -0.000 -0.000) 8.272 7.428 ( -11.053 0.000 0.000) 11.053 7.768 ( -61.043 0.000 0.000) 61.043 7.891 ( 3.986 -0.000 -0.000) 3.986 8.203 ( -6.760 0.000 0.000) 6.760 8.762 ( -0.150 0.000 0.000) 0.150 8.819 ( 5.904 -0.000 -0.000) 5.904 9.419 ( 10.728 -0.000 -0.000) 10.728 9.521 ( 0.632 -0.000 -0.000) 0.632 9.989 ( -16.401 0.000 0.000) 16.401 10.142 ( 3.966 -0.000 -0.000) 3.966 10.524 ( -6.499 0.000 0.000) 6.499 10.849 ( -1.041 0.000 0.000) 1.041 11.144 ( -13.756 0.000 0.000) 13.756 11.311 ( -5.190 0.000 0.000) 5.190 11.631 ( 8.228 -0.000 -0.000) 8.228 11.900 ( -11.846 0.000 0.000) 11.846 12.268 ( 5.413 -0.000 -0.000) 5.413 12.795 ( 15.337 -0.000 -0.000) 15.337 12.851 ( -7.330 0.000 0.000) 7.330 13.591 ( 7.157 -0.000 -0.000) 7.157 13.768 ( 23.011 -0.000 -0.000) 23.011 14.084 ( 4.731 -0.000 -0.000) 4.731 14.750 ( 2.205 -0.000 -0.000) 2.205 15.103 ( -4.122 0.000 0.000) 4.122 15.134 ( 5.371 -0.000 -0.000) 5.371 15.684 ( 23.136 -0.000 -0.000) 23.136 16.235 ( 40.238 -0.000 -0.000) 40.238 18.048 ( -4.228 0.000 0.000) 4.228 18.279 ( -6.024 0.000 0.000) 6.024 18.938 ( 7.670 -0.000 -0.000) 7.670 19.208 ( -2.769 0.000 0.000) 2.769 19.575 ( -1.685 0.000 0.000) 1.685 19.775 ( -0.823 0.000 0.000) 0.823 20.020 ( -10.303 0.000 0.000) 10.303 20.537 ( -1.083 0.000 0.000) 1.083 20.679 ( -5.229 0.000 0.000) 5.229 21.424 ( 3.397 -0.000 -0.000) 3.397 22.133 ( -2.375 0.000 0.000) 2.375 22.177 ( -4.484 0.000 0.000) 4.484 28.840 ( -8.241 0.000 0.000) 8.241 29.335 ( -3.070 0.000 0.000) 3.070 29.613 ( -6.140 0.000 0.000) 6.140 29.819 ( 2.705 -0.000 -0.000) 2.705 37.021 ( 20.358 -0.000 -0.000) 20.358 37.278 ( 0.737 -0.000 -0.000) 0.737 37.784 ( 12.159 -0.000 -0.000) 12.159 38.776 ( -1.282 0.000 0.000) 1.282 39.368 ( -0.352 0.000 0.000) 0.352 39.591 ( -10.995 0.000 0.000) 10.995 40.198 ( -5.696 0.000 0.000) 5.696 43.009 ( 3.263 -0.000 -0.000) 3.263 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -0.000 -8.670 -5.373) 10.199 3.241 ( -0.000 0.830 -18.791) 18.810 4.148 ( -0.000 -3.341 -4.140) 5.320 4.923 ( 0.000 4.886 10.489) 11.571 5.768 ( 0.000 3.859 2.608) 4.658 6.208 ( -0.000 -2.652 -2.463) 3.619 6.529 ( 0.000 3.279 0.655) 3.344 7.125 ( 0.000 4.796 6.636) 8.188 7.420 ( -0.000 -8.724 -3.586) 9.432 7.488 ( 0.000 35.105 7.856) 35.973 7.975 ( -0.000 -2.325 -2.050) 3.100 8.033 ( -0.000 -4.272 3.610) 5.594 8.434 ( -0.000 -17.260 -1.686) 17.342 8.617 ( 0.000 3.670 8.599) 9.350 8.967 ( -0.000 -8.476 -1.381) 8.588 9.378 ( -0.000 4.073 -5.191) 6.598 9.824 ( 0.000 0.512 15.289) 15.297 10.023 ( 0.000 5.071 -0.239) 5.076 10.153 ( 0.000 7.835 3.213) 8.469 10.658 ( 0.000 11.104 0.064) 11.104 10.831 ( 0.000 4.743 9.263) 10.407 11.032 ( 0.000 -2.401 5.360) 5.873 11.452 ( -0.000 -5.175 -3.267) 6.120 11.815 ( -0.000 -1.049 -7.101) 7.178 12.069 ( -0.000 -3.419 0.725) 3.495 12.275 ( 0.000 -2.388 10.699) 10.962 12.641 ( -0.000 4.825 -10.630) 11.674 12.995 ( -0.000 -13.020 -11.692) 17.499 13.278 ( 0.000 0.967 12.410) 12.448 14.016 ( 0.000 0.708 1.255) 1.441 14.074 ( -0.000 -5.662 0.184) 5.665 14.230 ( -0.000 -8.017 -15.810) 17.726 14.704 ( 0.000 3.007 -1.362) 3.301 15.062 ( -0.000 1.577 -2.402) 2.873 15.324 ( 0.000 1.792 1.115) 2.111 15.617 ( 0.000 6.489 -4.230) 7.746 18.097 ( 0.000 6.404 1.742) 6.637 18.390 ( -0.000 1.562 -2.253) 2.742 18.726 ( 0.000 7.657 6.180) 9.840 19.321 ( -0.000 -3.386 -3.789) 5.082 19.589 ( 0.000 6.319 -1.541) 6.504 19.858 ( -0.000 -10.749 -4.718) 11.739 20.269 ( -0.000 -4.144 -0.766) 4.215 20.531 ( 0.000 1.684 -0.723) 1.833 20.791 ( -0.000 -3.416 1.670) 3.803 21.342 ( 0.000 -2.094 2.491) 3.254 22.009 ( 0.000 12.060 6.280) 13.597 22.477 ( -0.000 -18.314 -8.594) 20.230 29.041 ( 0.000 5.256 1.233) 5.398 29.389 ( 0.000 -1.005 1.163) 1.537 29.545 ( 0.000 0.509 0.687) 0.855 29.873 ( 0.000 -0.077 0.784) 0.788 36.616 ( -0.000 -0.952 -0.966) 1.357 37.328 ( -0.000 -0.634 -2.448) 2.529 37.543 ( -0.000 -4.541 -4.343) 6.284 38.778 ( 0.000 -1.240 3.283) 3.509 39.396 ( -0.000 2.327 -3.328) 4.061 39.735 ( 0.000 14.020 2.529) 14.247 40.326 ( -0.000 -7.745 2.201) 8.051 42.830 ( 0.000 3.558 12.724) 13.212 ======================= Grid point 42 (25/85) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -5.199 0.000 0.000) 5.199 3.082 ( -2.180 0.000 0.000) 2.180 4.041 ( -9.972 0.000 0.000) 9.972 4.965 ( -10.032 0.000 0.000) 10.032 5.760 ( -5.228 0.000 0.000) 5.228 6.045 ( -19.889 0.000 0.000) 19.889 6.622 ( 8.811 -0.000 -0.000) 8.811 7.240 ( 3.677 -0.000 -0.000) 3.677 7.296 ( -4.492 0.000 0.000) 4.492 7.672 ( -10.067 0.000 0.000) 10.067 7.871 ( -0.044 0.000 0.000) 0.044 8.174 ( 10.831 -0.000 -0.000) 10.831 8.317 ( -2.698 0.000 0.000) 2.698 8.711 ( 2.446 -0.000 -0.000) 2.446 8.930 ( -0.206 0.000 0.000) 0.206 9.392 ( 6.976 -0.000 -0.000) 6.976 9.734 ( -30.175 0.000 0.000) 30.175 10.053 ( 1.354 -0.000 -0.000) 1.354 10.182 ( -4.044 0.000 0.000) 4.044 10.671 ( -3.590 0.000 0.000) 3.590 10.969 ( -5.288 0.000 0.000) 5.288 11.052 ( 7.684 -0.000 -0.000) 7.684 11.444 ( 4.645 -0.000 -0.000) 4.645 11.677 ( -9.771 0.000 0.000) 9.771 12.104 ( 6.518 -0.000 -0.000) 6.518 12.386 ( -11.493 0.000 0.000) 11.493 12.541 ( 4.836 -0.000 -0.000) 4.836 12.841 ( 3.242 -0.000 -0.000) 3.242 13.471 ( 2.981 -0.000 -0.000) 2.981 13.587 ( -21.036 0.000 0.000) 21.036 14.033 ( 0.343 -0.000 -0.000) 0.343 14.659 ( 51.864 -0.000 -0.000) 51.864 14.710 ( 0.920 -0.000 -0.000) 0.920 15.059 ( 1.357 -0.000 -0.000) 1.357 15.289 ( -6.667 0.000 0.000) 6.667 15.680 ( 10.810 -0.000 -0.000) 10.810 18.120 ( -1.597 0.000 0.000) 1.597 18.373 ( -1.745 0.000 0.000) 1.745 18.826 ( 1.912 -0.000 -0.000) 1.912 19.258 ( -1.194 0.000 0.000) 1.194 19.605 ( -0.708 0.000 0.000) 0.708 19.774 ( 0.379 -0.000 -0.000) 0.379 20.215 ( -5.040 0.000 0.000) 5.040 20.537 ( 0.676 -0.000 -0.000) 0.676 20.778 ( -2.470 0.000 0.000) 2.470 21.362 ( 1.464 -0.000 -0.000) 1.464 22.179 ( -1.167 0.000 0.000) 1.167 22.252 ( -1.651 0.000 0.000) 1.651 29.030 ( -6.102 0.000 0.000) 6.102 29.387 ( -1.169 0.000 0.000) 1.169 29.583 ( 4.504 -0.000 -0.000) 4.504 29.861 ( -2.976 0.000 0.000) 2.976 36.658 ( 8.481 -0.000 -0.000) 8.481 37.293 ( -1.694 0.000 0.000) 1.694 37.538 ( 7.048 -0.000 -0.000) 7.048 38.797 ( -0.470 0.000 0.000) 0.470 39.376 ( -0.193 0.000 0.000) 0.193 39.783 ( -4.382 0.000 0.000) 4.382 40.297 ( -2.284 0.000 0.000) 2.284 42.951 ( 1.374 -0.000 -0.000) 1.374 ======================= Grid point 93 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 -0.000 36.143) 36.143 1.977 ( 0.000 -0.000 41.954) 41.954 3.375 ( 0.000 -0.000 43.997) 43.997 3.505 ( 0.000 -0.000 7.814) 7.814 4.236 ( 0.000 -0.000 60.151) 60.151 4.432 ( 0.000 -0.000 27.066) 27.066 6.500 ( -0.000 0.000 -13.878) 13.878 6.777 ( 0.000 -0.000 11.679) 11.679 6.929 ( 0.000 -0.000 12.754) 12.754 7.277 ( -0.000 0.000 -6.103) 6.103 7.356 ( -0.000 0.000 -2.581) 2.581 7.360 ( 0.000 -0.000 1.474) 1.474 7.631 ( 0.000 -0.000 9.940) 9.940 8.046 ( -0.000 0.000 -12.104) 12.104 9.029 ( -0.000 0.000 -3.848) 3.848 9.139 ( -0.000 0.000 -11.370) 11.370 9.384 ( 0.000 -0.000 9.586) 9.586 9.857 ( 0.000 -0.000 4.667) 4.667 9.903 ( -0.000 0.000 -2.292) 2.292 10.329 ( -0.000 0.000 -8.366) 8.366 10.813 ( -0.000 0.000 -7.243) 7.243 11.063 ( -0.000 0.000 -2.721) 2.721 11.865 ( 0.000 -0.000 1.744) 1.744 11.909 ( -0.000 0.000 -8.658) 8.658 12.010 ( -0.000 0.000 -5.511) 5.511 12.192 ( 0.000 -0.000 4.019) 4.019 12.543 ( 0.000 -0.000 21.340) 21.340 13.857 ( -0.000 0.000 -10.557) 10.557 14.159 ( -0.000 0.000 -5.423) 5.423 14.194 ( -0.000 0.000 -7.991) 7.991 14.659 ( -0.000 0.000 -4.134) 4.134 14.787 ( -0.000 0.000 -0.808) 0.808 15.037 ( -0.000 0.000 -1.100) 1.100 15.303 ( -0.000 0.000 -9.003) 9.003 15.958 ( 0.000 -0.000 2.808) 2.808 16.223 ( -0.000 0.000 -13.262) 13.262 17.470 ( -0.000 0.000 -6.762) 6.762 18.023 ( 0.000 -0.000 5.112) 5.112 18.868 ( -0.000 0.000 -10.911) 10.911 19.536 ( -0.000 0.000 -0.195) 0.195 19.572 ( 0.000 -0.000 1.260) 1.260 19.920 ( 0.000 -0.000 12.302) 12.302 20.299 ( -0.000 0.000 -0.971) 0.971 20.393 ( 0.000 -0.000 0.653) 0.653 21.200 ( 0.000 -0.000 1.426) 1.426 21.403 ( -0.000 0.000 -6.257) 6.257 21.708 ( 0.000 -0.000 0.852) 0.852 24.393 ( -0.000 0.000 -9.591) 9.591 28.543 ( 0.000 -0.000 1.826) 1.826 29.168 ( 0.000 -0.000 1.892) 1.892 29.246 ( 0.000 -0.000 3.467) 3.467 29.920 ( 0.000 -0.000 0.684) 0.684 37.194 ( -0.000 0.000 -6.615) 6.615 37.384 ( -0.000 0.000 -2.984) 2.984 38.195 ( 0.000 -0.000 4.252) 4.252 38.464 ( -0.000 0.000 -9.424) 9.424 38.783 ( 0.000 -0.000 7.777) 7.777 39.560 ( -0.000 0.000 -5.698) 5.698 39.763 ( 0.000 -0.000 14.090) 14.090 40.561 ( 0.000 -0.000 23.136) 23.136 ======================= Grid point 94 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -4.104 -2.369 34.670) 34.992 2.803 ( 14.112 8.148 32.167) 36.059 3.579 ( 5.225 3.017 9.268) 11.059 4.030 ( 9.609 5.548 21.767) 24.432 4.868 ( 1.536 0.887 38.376) 38.417 5.366 ( 13.752 7.940 52.382) 54.736 6.144 ( 0.153 0.089 -26.761) 26.761 6.711 ( -20.163 -11.641 1.113) 23.309 7.086 ( -6.270 -3.620 5.815) 9.287 7.178 ( 0.363 0.210 1.586) 1.640 7.308 ( 7.543 4.355 0.890) 8.755 7.805 ( 29.714 17.155 6.943) 35.006 7.825 ( -4.054 -2.341 13.556) 14.341 8.014 ( 7.208 4.162 5.649) 10.059 8.838 ( -6.597 -3.809 -5.827) 9.590 9.086 ( 2.266 1.308 -6.852) 7.335 9.483 ( -3.403 -1.965 5.435) 6.706 9.847 ( -0.357 -0.206 1.719) 1.767 9.886 ( 1.705 0.984 -5.521) 5.862 10.297 ( 8.437 4.871 -4.568) 10.760 10.671 ( -6.232 -3.598 -4.109) 8.287 11.105 ( -0.953 -0.550 7.956) 8.032 11.639 ( -7.171 -4.140 -10.589) 13.442 11.889 ( 5.458 3.151 -7.364) 9.692 11.972 ( -0.509 -0.294 0.854) 1.036 12.192 ( -6.700 -3.868 3.265) 8.397 12.894 ( 4.988 2.880 17.425) 18.352 13.583 ( -11.968 -6.909 -13.139) 19.068 14.045 ( 0.862 0.498 -4.788) 4.890 14.118 ( 0.365 0.211 -6.322) 6.336 14.576 ( 1.002 0.579 -5.317) 5.441 14.787 ( 3.442 1.987 -2.735) 4.824 15.063 ( 3.965 2.289 -6.083) 7.613 15.168 ( 0.582 0.336 -7.574) 7.604 15.803 ( -15.221 -8.788 -10.020) 20.232 16.067 ( 4.163 2.404 -6.496) 8.081 17.449 ( 8.504 4.910 -5.243) 11.132 18.111 ( 1.314 0.759 5.039) 5.263 18.734 ( 3.649 2.107 -10.618) 11.423 19.498 ( -3.525 -2.035 -0.206) 4.076 19.604 ( 1.481 0.855 0.284) 1.734 20.097 ( -1.784 -1.030 11.847) 12.025 20.267 ( -2.542 -1.468 -0.195) 2.942 20.405 ( -0.373 -0.215 1.015) 1.102 21.214 ( -1.104 -0.638 2.074) 2.435 21.291 ( -1.049 -0.606 -6.647) 6.756 21.721 ( 0.693 0.400 -0.147) 0.814 24.010 ( -24.460 -14.122 -6.566) 28.997 28.585 ( 1.101 0.636 2.167) 2.513 29.224 ( 2.742 1.583 2.303) 3.915 29.307 ( 0.431 0.249 4.082) 4.112 29.913 ( -2.207 -1.274 0.752) 2.657 37.149 ( 8.019 4.630 -9.549) 13.301 37.417 ( 8.837 5.102 -5.940) 11.807 38.262 ( -2.580 -1.489 5.622) 6.363 38.349 ( 4.513 2.606 -9.015) 10.413 38.913 ( 3.755 2.168 4.178) 6.021 39.523 ( 6.368 3.677 -7.014) 10.162 39.990 ( -1.604 -0.926 16.139) 16.245 40.980 ( 2.297 1.326 26.958) 27.088 ======================= Grid point 95 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -12.232 -7.062 30.119) 33.266 3.197 ( -6.491 -3.747 14.134) 15.998 3.969 ( 21.949 12.672 6.168) 26.084 4.437 ( 12.581 7.263 7.752) 16.466 5.507 ( -8.599 -4.964 -0.737) 9.956 5.535 ( 13.591 7.847 9.396) 18.291 6.275 ( -30.742 -17.749 -1.060) 35.513 6.450 ( 11.266 6.504 32.323) 34.842 7.052 ( -2.043 -1.180 5.883) 6.338 7.225 ( -0.246 -0.142 -1.679) 1.703 7.502 ( 10.280 5.935 4.943) 12.859 7.991 ( 4.428 2.557 10.018) 11.247 8.227 ( -0.546 -0.315 14.392) 14.406 8.439 ( 23.231 13.413 9.625) 28.500 8.747 ( 2.560 1.478 -2.663) 3.978 8.923 ( -6.498 -3.751 -1.966) 7.756 9.529 ( -2.974 -1.717 5.043) 6.101 9.805 ( 11.093 6.405 -11.252) 17.049 9.908 ( -4.604 -2.658 5.026) 7.316 10.392 ( 6.986 4.034 -3.941) 8.978 10.531 ( -6.532 -3.771 3.245) 8.210 11.153 ( -5.676 -3.277 1.997) 6.852 11.427 ( -0.162 -0.094 -7.174) 7.176 11.933 ( 3.730 2.154 3.403) 5.490 11.977 ( -0.624 -0.361 2.848) 2.937 12.141 ( -2.557 -1.477 1.413) 3.274 12.963 ( -18.980 -10.958 -13.172) 25.570 13.317 ( 3.773 2.178 7.391) 8.579 13.935 ( -6.643 -3.835 -11.493) 13.817 14.084 ( 7.020 4.053 0.083) 8.106 14.561 ( 5.194 2.999 -2.133) 6.365 14.782 ( 5.562 3.211 -11.035) 12.768 14.916 ( -4.674 -2.698 -6.628) 8.547 15.138 ( 0.601 0.347 -0.974) 1.196 15.376 ( -8.178 -4.722 -14.182) 17.038 16.067 ( 4.036 2.330 -2.621) 5.347 17.545 ( 10.682 6.167 -3.084) 12.714 18.213 ( 1.528 0.882 4.273) 4.623 18.649 ( 5.451 3.147 -9.280) 11.213 19.433 ( -4.318 -2.493 0.282) 4.994 19.611 ( 0.606 0.350 -1.771) 1.904 20.189 ( -3.788 -2.187 2.917) 5.257 20.247 ( -3.401 -1.964 6.466) 7.566 20.393 ( -3.473 -2.005 0.450) 4.035 21.177 ( -0.011 -0.006 -4.935) 4.935 21.245 ( -0.773 -0.446 2.636) 2.783 21.723 ( 0.795 0.459 -1.060) 1.402 23.528 ( -23.374 -13.495 -5.252) 27.496 28.635 ( 0.611 0.352 2.211) 2.321 29.302 ( 1.568 0.905 2.187) 2.839 29.399 ( 3.464 2.000 4.458) 5.989 29.873 ( -4.079 -2.355 0.424) 4.729 37.136 ( 9.619 5.553 -10.018) 14.957 37.449 ( 7.359 4.249 -6.570) 10.741 38.221 ( 6.183 3.570 -11.789) 13.782 38.384 ( -3.570 -2.061 9.469) 10.327 39.018 ( 3.450 1.992 1.940) 4.431 39.520 ( 8.015 4.627 -8.725) 12.719 40.189 ( -4.321 -2.495 15.210) 16.008 41.434 ( -0.454 -0.262 29.486) 29.491 ======================= Grid point 96 (29/85) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -21.957 -12.677 25.769) 36.150 3.159 ( -10.485 -6.053 -0.293) 12.110 4.108 ( 6.384 3.686 -25.754) 26.788 4.701 ( 15.078 8.705 0.523) 17.418 5.133 ( -11.419 -6.593 -6.808) 14.840 5.756 ( -29.112 -16.808 -0.480) 33.619 6.177 ( 12.492 7.212 26.273) 29.972 6.785 ( 0.885 0.511 4.614) 4.726 7.092 ( -7.136 -4.120 -2.049) 8.491 7.338 ( 7.610 4.394 14.006) 16.534 7.757 ( 5.755 3.323 9.231) 11.375 8.047 ( -9.322 -5.382 -1.341) 10.847 8.384 ( -4.122 -2.380 7.659) 9.017 8.679 ( 6.153 3.552 4.891) 8.626 8.971 ( -1.618 -0.934 8.254) 8.463 9.001 ( 17.833 10.296 8.333) 22.214 9.465 ( -5.976 -3.450 1.555) 7.073 9.737 ( -18.251 -10.537 -3.028) 21.291 9.998 ( 18.462 10.659 1.004) 21.341 10.349 ( -9.743 -5.625 5.507) 12.526 10.580 ( 5.749 3.319 -2.442) 7.073 11.122 ( 6.027 3.480 -1.930) 7.222 11.362 ( 0.206 0.119 -2.651) 2.662 11.936 ( -2.242 -1.295 -0.641) 2.667 12.099 ( -7.234 -4.177 6.257) 10.436 12.248 ( 8.558 4.941 10.203) 14.204 12.381 ( -18.564 -10.718 -11.943) 24.539 13.520 ( 8.224 4.748 -2.530) 9.827 13.570 ( -9.471 -5.468 -11.203) 15.656 14.213 ( 9.643 5.567 -3.680) 11.727 14.465 ( -9.786 -5.650 -14.332) 18.251 14.717 ( 11.469 6.621 -0.654) 13.259 14.880 ( 1.842 1.063 1.076) 2.383 15.079 ( 0.102 0.059 -2.935) 2.938 15.277 ( 8.412 4.856 -2.247) 9.969 16.129 ( 5.636 3.254 1.768) 6.744 17.678 ( 9.340 5.392 -0.639) 10.804 18.241 ( -2.320 -1.340 -0.757) 2.784 18.667 ( 9.696 5.598 -3.032) 11.599 19.377 ( -3.821 -2.206 1.094) 4.546 19.565 ( -0.133 -0.077 -4.751) 4.753 20.130 ( -4.364 -2.519 -0.790) 5.100 20.280 ( -7.468 -4.311 0.457) 8.635 20.303 ( -3.748 -2.164 2.829) 5.170 21.122 ( -0.036 -0.021 -3.237) 3.237 21.295 ( 0.256 0.148 4.878) 4.887 21.716 ( 0.984 0.568 -1.534) 1.909 23.119 ( -16.248 -9.381 -6.803) 19.957 28.667 ( -0.676 -0.390 1.979) 2.128 29.333 ( -1.236 -0.713 1.756) 2.262 29.546 ( 5.706 3.294 4.206) 7.817 29.795 ( -5.914 -3.414 -0.015) 6.829 37.159 ( 11.227 6.482 -8.176) 15.326 37.455 ( 5.758 3.324 -6.016) 8.966 38.140 ( 9.096 5.252 -14.267) 17.716 38.481 ( -5.718 -3.301 12.417) 14.064 39.088 ( 2.275 1.313 1.537) 3.043 39.498 ( 6.339 3.660 -9.033) 11.627 40.307 ( -7.486 -4.322 11.932) 14.734 41.873 ( -3.884 -2.242 31.980) 32.293 ======================= Grid point 97 (30/85) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -14.445 -8.340 -10.662) 19.796 2.902 ( -29.796 -17.203 19.209) 39.404 3.623 ( -5.178 -2.989 -28.452) 29.073 4.484 ( -18.935 -10.932 -19.943) 29.594 5.029 ( -11.640 -6.720 -0.820) 13.466 5.506 ( -4.651 -2.685 11.027) 12.265 6.657 ( 7.535 4.350 10.942) 13.979 6.813 ( -7.196 -4.154 7.127) 10.947 6.940 ( -4.392 -2.536 -3.849) 6.367 7.567 ( -12.310 -7.107 2.647) 14.459 7.643 ( -8.861 -5.116 -2.974) 10.655 8.039 ( -1.660 -0.958 -0.605) 2.010 8.310 ( -8.985 -5.187 13.833) 17.291 8.910 ( -2.692 -1.554 4.226) 5.246 9.003 ( 3.587 2.071 6.497) 7.705 9.238 ( -0.007 -0.004 1.099) 1.099 9.325 ( -9.740 -5.624 -9.627) 14.805 9.594 ( -0.353 -0.204 11.455) 11.462 10.284 ( -1.298 -0.750 5.088) 5.305 10.293 ( 2.510 1.449 6.165) 6.813 10.618 ( 7.132 4.118 -3.835) 9.084 11.257 ( 11.059 6.385 0.198) 12.772 11.347 ( -0.397 -0.229 0.614) 0.766 11.671 ( -17.918 -10.345 -12.276) 24.057 11.919 ( -8.817 -5.090 1.470) 10.287 12.292 ( 1.225 0.707 3.519) 3.793 12.643 ( 15.557 8.982 15.178) 23.518 13.174 ( -1.300 -0.751 -20.691) 20.745 13.653 ( 1.993 1.150 -1.530) 2.763 14.131 ( 1.006 0.581 -8.720) 8.798 14.309 ( 5.274 3.045 -3.528) 7.039 14.786 ( 5.700 3.291 -6.847) 9.498 14.966 ( 2.816 1.626 2.438) 4.064 15.162 ( 11.227 6.482 -0.976) 13.001 15.493 ( 12.850 7.419 7.996) 16.855 16.350 ( 9.891 5.710 12.580) 16.991 17.814 ( 6.343 3.662 1.908) 7.568 18.144 ( -4.006 -2.313 -4.014) 6.125 18.833 ( 10.919 6.304 1.839) 12.742 19.352 ( -2.064 -1.192 1.777) 2.973 19.464 ( 0.341 0.197 -8.289) 8.298 20.022 ( -6.667 -3.849 -2.417) 8.069 20.100 ( -7.719 -4.456 -4.294) 9.893 20.313 ( -2.907 -1.679 3.073) 4.551 21.042 ( -2.777 -1.603 -4.644) 5.643 21.401 ( 1.253 0.723 6.399) 6.561 21.716 ( 1.470 0.849 -0.543) 1.782 22.789 ( -9.753 -5.631 -9.811) 14.936 28.674 ( -1.954 -1.128 1.663) 2.803 29.321 ( -2.729 -1.575 0.938) 3.288 29.631 ( -5.318 -3.070 0.576) 6.168 29.745 ( 2.431 1.403 2.523) 3.774 37.242 ( 12.040 6.951 -5.619) 14.995 37.456 ( 5.688 3.284 -4.875) 8.179 38.078 ( 10.666 6.158 -13.952) 18.610 38.581 ( -5.408 -3.122 11.806) 13.356 39.140 ( 0.825 0.477 1.871) 2.100 39.447 ( 3.172 1.831 -7.017) 7.915 40.314 ( -10.225 -5.903 7.315) 13.889 42.308 ( -5.404 -3.120 34.376) 34.938 ======================= Grid point 98 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -24.165 -13.952 -19.830) 34.232 2.675 ( -33.381 -19.273 12.257) 40.447 3.228 ( -12.415 -7.168 -3.985) 14.879 3.795 ( -26.322 -15.197 -19.232) 35.967 4.635 ( -25.004 -14.436 -5.010) 29.304 5.730 ( 5.365 3.098 8.541) 10.551 6.421 ( -49.315 -28.472 -3.810) 57.071 6.792 ( -7.257 -4.190 -0.651) 8.405 6.862 ( -1.345 -0.777 0.654) 1.685 7.193 ( -6.427 -3.711 1.570) 7.586 7.577 ( -7.039 -4.064 -0.575) 8.148 8.064 ( 12.299 7.101 -2.798) 14.475 8.448 ( -15.339 -8.856 9.994) 20.337 8.715 ( -11.671 -6.738 -0.922) 13.508 9.069 ( -6.995 -4.038 4.626) 9.308 9.107 ( -2.713 -1.566 -5.512) 6.340 9.436 ( 11.465 6.619 8.245) 15.596 9.616 ( -6.596 -3.808 0.006) 7.616 10.259 ( -8.553 -4.938 -2.990) 10.319 10.394 ( 3.276 1.891 6.305) 7.353 10.766 ( 10.262 5.925 2.297) 12.070 11.215 ( -7.704 -4.448 -6.742) 11.162 11.434 ( 3.345 1.931 -4.587) 5.996 11.466 ( 8.101 4.677 4.823) 10.524 11.810 ( -3.851 -2.223 0.515) 4.476 12.335 ( -2.549 -1.472 3.314) 4.433 12.787 ( -8.371 -4.833 -10.884) 14.557 13.210 ( 17.357 10.021 8.139) 21.632 13.586 ( 8.441 4.873 -8.129) 12.692 14.181 ( 6.884 3.974 1.165) 8.034 14.334 ( 6.017 3.474 -5.047) 8.588 14.766 ( 4.982 2.877 -5.668) 8.076 15.060 ( 6.408 3.699 1.238) 7.502 15.296 ( 10.596 6.118 -4.564) 13.059 15.860 ( 13.665 7.889 9.542) 18.439 16.859 ( 16.423 9.482 25.197) 31.536 17.934 ( 2.423 1.399 4.804) 5.559 18.015 ( -4.582 -2.646 -3.329) 6.251 19.037 ( 9.101 5.254 2.989) 10.925 19.307 ( 1.210 0.699 -11.092) 11.180 19.389 ( 1.563 0.902 1.226) 2.182 19.845 ( -9.831 -5.676 -2.534) 11.632 19.921 ( -6.103 -3.523 -5.096) 8.696 20.312 ( -1.590 -0.918 1.720) 2.516 20.887 ( -5.242 -3.026 -7.204) 9.409 21.503 ( 1.551 0.895 3.229) 3.692 21.763 ( 1.333 0.770 4.270) 4.539 22.483 ( -6.857 -3.959 -13.390) 15.555 28.658 ( -3.016 -1.741 1.393) 3.750 29.280 ( -3.349 -1.933 0.233) 3.874 29.494 ( -9.204 -5.314 -0.676) 10.649 29.847 ( 3.304 1.907 2.313) 4.461 37.317 ( 7.085 4.090 -5.907) 10.091 37.538 ( 11.281 6.513 -0.673) 13.044 38.053 ( 11.211 6.472 -11.720) 17.462 38.670 ( -3.502 -2.022 8.859) 9.738 39.162 ( -0.768 -0.444 0.443) 0.992 39.400 ( -0.329 -0.190 -1.393) 1.443 40.217 ( -11.380 -6.570 2.914) 13.459 42.764 ( -2.521 -1.455 32.238) 32.369 ======================= Grid point 99 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -31.388 -18.122 8.309) 37.184 2.227 ( -38.562 -22.264 6.288) 44.970 2.970 ( -20.491 -11.830 -9.629) 25.545 3.155 ( -29.936 -17.284 5.451) 34.994 4.187 ( -26.066 -15.049 1.565) 30.139 5.316 ( -65.565 -37.854 0.656) 75.711 5.974 ( 9.438 5.449 0.949) 10.939 6.663 ( -2.023 -1.168 -5.411) 5.894 6.869 ( -5.442 -3.142 5.951) 8.655 7.222 ( -1.422 -0.821 4.712) 4.990 7.476 ( -6.184 -3.571 1.184) 7.239 8.077 ( -21.342 -12.322 -4.659) 25.080 8.247 ( 10.315 5.956 -0.661) 11.929 8.524 ( -15.852 -9.152 -4.905) 18.950 8.986 ( 2.454 1.417 -9.625) 10.033 9.060 ( -10.157 -5.864 12.172) 16.903 9.467 ( -5.378 -3.105 -1.378) 6.361 9.770 ( 8.745 5.049 8.730) 13.348 10.020 ( -9.305 -5.372 -5.551) 12.093 10.572 ( 6.778 3.913 3.711) 8.662 10.932 ( 7.175 4.143 3.268) 8.907 11.104 ( 6.078 3.509 -12.077) 13.968 11.255 ( -2.496 -1.441 -12.845) 13.165 11.695 ( 7.279 4.202 6.906) 10.878 11.890 ( -1.179 -0.681 11.087) 11.170 12.310 ( -6.042 -3.488 0.504) 6.995 12.516 ( -12.510 -7.223 1.245) 14.499 13.347 ( 8.117 4.686 -6.249) 11.265 13.871 ( 21.284 12.289 2.701) 24.725 14.281 ( 4.695 2.711 -1.149) 5.542 14.349 ( 6.135 3.542 -5.130) 8.746 14.783 ( 3.114 1.798 -0.844) 3.694 15.227 ( 11.998 6.927 1.165) 13.903 15.373 ( 10.707 6.182 -6.273) 13.864 16.165 ( 10.565 6.100 3.655) 12.735 17.462 ( 15.037 8.682 6.026) 18.380 17.897 ( -5.617 -3.243 -1.848) 6.744 18.118 ( 6.260 3.614 11.914) 13.935 19.119 ( -2.461 -1.421 -0.315) 2.859 19.227 ( 7.926 4.576 -0.367) 9.159 19.468 ( 3.542 2.045 2.238) 4.662 19.669 ( -9.360 -5.404 2.327) 11.056 19.760 ( -7.173 -4.141 -0.995) 8.342 20.325 ( 0.549 0.317 1.378) 1.517 20.659 ( -7.349 -4.243 -8.431) 11.962 21.546 ( 2.148 1.240 -1.233) 2.770 21.905 ( 1.147 0.662 12.391) 12.461 22.153 ( -7.457 -4.305 -13.575) 16.075 28.622 ( -3.886 -2.244 1.127) 4.627 29.227 ( -3.249 -1.876 -0.104) 3.753 29.347 ( -7.825 -4.518 -0.243) 9.038 29.905 ( 1.111 0.641 0.553) 1.397 37.308 ( 4.498 2.597 -6.219) 8.102 37.757 ( 13.090 7.557 1.810) 15.223 38.077 ( 10.722 6.190 -7.629) 14.542 38.738 ( -1.734 -1.001 5.122) 5.499 39.119 ( -2.388 -1.379 -2.673) 3.840 39.406 ( -2.683 -1.549 5.044) 5.919 40.068 ( -9.957 -5.749 0.984) 11.539 43.110 ( 3.062 1.768 2.620) 4.401 ======================= Grid point 100 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -29.610 -17.095 36.449) 49.976 1.766 ( -39.376 -22.733 20.211) 49.757 2.394 ( -35.695 -20.608 13.802) 43.467 2.943 ( -25.711 -14.844 19.298) 35.410 3.882 ( -20.535 -11.856 6.664) 24.630 4.511 ( -39.796 -22.976 7.679) 46.590 6.182 ( 8.655 4.997 7.177) 12.304 6.588 ( -0.527 -0.304 -1.383) 1.511 6.849 ( -10.094 -5.828 7.638) 13.936 7.261 ( 1.645 0.950 0.818) 2.068 7.399 ( -5.185 -2.993 -0.038) 5.987 7.727 ( -14.369 -8.296 -1.950) 16.707 8.127 ( -22.461 -12.968 -3.623) 26.188 8.408 ( 13.184 7.612 -8.005) 17.200 8.895 ( 2.134 1.232 -0.623) 2.541 9.080 ( -7.031 -4.060 7.502) 11.054 9.437 ( 1.909 1.102 0.195) 2.213 9.827 ( -6.122 -3.535 -1.922) 7.326 9.946 ( 0.770 0.445 1.368) 1.632 10.682 ( 8.301 4.793 -7.782) 12.347 10.850 ( 0.914 0.528 -14.050) 14.089 11.168 ( 6.079 3.509 0.490) 7.036 11.208 ( 10.284 5.938 5.129) 12.936 11.874 ( 3.121 1.802 5.193) 6.321 12.010 ( -10.138 -5.853 14.056) 18.292 12.176 ( -1.780 -1.028 -3.536) 4.090 12.421 ( -10.034 -5.793 4.586) 12.461 13.499 ( 13.310 7.685 5.607) 16.360 14.143 ( 12.913 7.455 -4.000) 15.437 14.304 ( 3.879 2.239 -3.724) 5.824 14.398 ( 8.325 4.807 -2.133) 9.847 14.814 ( -0.315 -0.182 1.166) 1.221 15.362 ( 9.528 5.501 -7.798) 13.486 15.547 ( 13.954 8.056 3.265) 16.440 16.283 ( 6.564 3.790 -7.461) 10.636 17.155 ( -22.774 -13.148 -45.405) 52.471 17.763 ( -3.649 -2.107 -3.774) 5.657 18.060 ( -9.009 -5.201 -5.862) 11.940 19.225 ( 1.783 1.029 -4.922) 5.335 19.441 ( 3.398 1.962 4.443) 5.927 19.532 ( 1.379 0.796 1.704) 2.332 19.665 ( -5.392 -3.113 5.751) 8.476 20.078 ( 18.250 10.537 38.112) 43.550 20.385 ( 0.350 0.202 3.183) 3.208 20.501 ( 5.156 2.977 8.304) 10.217 21.540 ( 2.127 1.228 -4.060) 4.745 21.841 ( -7.904 -4.563 -6.657) 11.296 22.381 ( 20.956 12.099 38.078) 45.117 28.573 ( -4.070 -2.350 0.966) 4.798 29.181 ( -2.382 -1.375 0.328) 2.770 29.249 ( -4.772 -2.755 0.571) 5.539 29.906 ( -0.198 -0.114 -0.854) 0.884 37.284 ( 4.415 2.549 -5.908) 7.804 37.944 ( 8.328 4.808 -1.524) 9.736 38.163 ( 9.454 5.458 -3.276) 11.398 38.755 ( -3.946 -2.278 2.012) 4.981 39.006 ( -5.063 -2.923 -5.401) 7.959 39.457 ( -2.090 -1.207 6.467) 6.903 39.966 ( -6.415 -3.704 3.186) 8.063 42.359 ( -39.617 -22.873 -81.000) 93.026 ======================= Grid point 103 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 0.000 2.463 26.757) 26.870 3.325 ( 0.000 17.974 31.649) 36.396 3.605 ( -0.000 -5.935 3.558) 6.920 4.320 ( 0.000 9.431 9.931) 13.695 5.326 ( 0.000 4.539 24.720) 25.133 5.662 ( -0.000 0.246 -21.837) 21.839 6.262 ( 0.000 3.780 49.442) 49.587 6.755 ( -0.000 -12.701 -0.921) 12.735 7.077 ( -0.000 -11.551 -2.938) 11.919 7.291 ( 0.000 4.530 7.159) 8.472 7.439 ( 0.000 11.229 8.657) 14.178 7.769 ( 0.000 13.911 4.481) 14.615 7.964 ( 0.000 8.424 7.901) 11.550 8.332 ( 0.000 2.493 26.869) 26.985 8.712 ( -0.000 -10.507 -5.032) 11.650 9.063 ( 0.000 12.816 -4.453) 13.568 9.493 ( -0.000 -2.125 -5.696) 6.079 9.807 ( -0.000 -6.506 2.225) 6.876 9.865 ( -0.000 -2.327 1.188) 2.613 10.251 ( 0.000 10.738 -0.484) 10.749 10.643 ( -0.000 -1.709 -1.176) 2.074 11.249 ( -0.000 -12.033 5.181) 13.101 11.522 ( 0.000 3.550 -2.919) 4.596 11.733 ( -0.000 8.199 -7.740) 11.275 11.969 ( -0.000 -2.261 0.043) 2.262 12.282 ( 0.000 -1.704 2.804) 3.281 13.119 ( 0.000 2.709 10.593) 10.934 13.401 ( -0.000 -9.806 -12.244) 15.687 13.897 ( -0.000 -6.579 -6.375) 9.161 14.031 ( -0.000 -3.627 -4.085) 5.463 14.493 ( -0.000 5.611 -5.809) 8.076 14.666 ( -0.000 -6.203 -6.079) 8.685 15.036 ( 0.000 2.701 -2.460) 3.653 15.067 ( 0.000 11.706 -9.835) 15.289 15.644 ( -0.000 -6.562 -18.418) 19.552 15.918 ( -0.000 -9.048 -2.444) 9.372 17.396 ( 0.000 13.167 -2.983) 13.501 18.188 ( 0.000 1.199 5.078) 5.218 18.580 ( -0.000 4.988 -9.923) 11.106 19.498 ( -0.000 -2.574 -0.547) 2.631 19.597 ( -0.000 0.864 -0.907) 1.253 20.245 ( 0.000 -3.029 3.457) 4.596 20.308 ( 0.000 0.035 6.584) 6.584 20.425 ( 0.000 -0.589 2.244) 2.320 21.172 ( -0.000 -3.306 -6.713) 7.482 21.249 ( 0.000 -1.051 2.485) 2.698 21.714 ( 0.000 1.477 -1.157) 1.876 23.862 ( -0.000 -20.164 -11.868) 23.397 28.631 ( 0.000 3.294 2.497) 4.134 29.259 ( 0.000 1.757 2.898) 3.389 29.376 ( 0.000 0.233 4.674) 4.680 29.928 ( -0.000 -2.550 0.962) 2.725 36.948 ( -0.000 -4.180 -7.023) 8.173 37.365 ( 0.000 14.117 -7.298) 15.892 38.119 ( -0.000 0.342 -12.147) 12.152 38.453 ( 0.000 0.533 10.388) 10.401 38.969 ( 0.000 7.520 1.305) 7.632 39.424 ( -0.000 4.020 -5.257) 6.618 40.254 ( 0.000 -5.311 18.202) 18.961 41.439 ( 0.000 3.833 30.051) 30.295 ======================= Grid point 104 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -2.917 -18.932 15.584) 24.694 3.493 ( -13.308 10.099 2.287) 16.862 3.942 ( 6.594 16.716 5.601) 18.822 4.439 ( 5.816 1.418 2.662) 6.551 5.295 ( -3.986 -1.095 -5.604) 6.964 5.934 ( 6.779 15.102 24.737) 29.764 6.471 ( -20.635 -11.573 -2.359) 23.776 6.766 ( -1.827 -2.067 5.975) 6.581 7.012 ( 6.022 -11.282 2.526) 13.036 7.434 ( -7.231 6.624 11.171) 14.865 7.644 ( -3.084 10.527 14.891) 18.495 8.022 ( 12.261 4.061 6.871) 14.630 8.287 ( 12.841 4.221 5.112) 14.451 8.590 ( -0.059 2.913 2.790) 4.034 8.731 ( -0.808 -1.335 18.427) 18.493 9.106 ( -6.287 8.014 9.511) 13.936 9.488 ( 16.624 8.049 -7.697) 20.010 9.702 ( -10.952 -6.263 4.273) 13.321 9.960 ( 3.073 -7.090 4.949) 9.177 10.351 ( 2.646 8.431 0.832) 8.875 10.642 ( -4.722 0.170 4.910) 6.814 11.058 ( 0.816 -10.503 -9.534) 14.209 11.483 ( -10.096 8.453 -2.732) 13.448 11.937 ( 13.279 4.401 10.124) 17.268 11.953 ( 1.320 -1.757 0.388) 2.232 12.268 ( -6.708 -2.353 4.341) 8.329 12.916 ( -19.715 -10.999 -13.335) 26.220 13.351 ( 6.633 0.796 0.787) 6.727 13.771 ( -1.610 -10.837 -7.160) 13.088 13.969 ( 6.939 0.222 -4.226) 8.128 14.430 ( 2.053 -4.810 -8.725) 10.172 14.574 ( 2.997 0.712 -1.881) 3.609 14.933 ( -3.824 7.920 -8.283) 12.081 15.085 ( 7.721 9.937 -7.863) 14.839 15.259 ( -11.901 -5.366 -8.915) 15.808 15.889 ( 12.262 -9.408 -3.450) 15.836 17.505 ( 3.817 15.935 -0.178) 16.387 18.279 ( -0.256 2.039 4.064) 4.554 18.492 ( 3.546 5.767 -7.935) 10.430 19.458 ( -2.159 -2.376 -0.211) 3.217 19.572 ( -0.209 0.579 -3.234) 3.292 20.221 ( -2.390 -2.551 -0.572) 3.542 20.379 ( -2.183 -3.624 5.024) 6.568 20.449 ( -4.862 -1.198 3.101) 5.890 21.068 ( 2.851 -4.176 -4.552) 6.803 21.291 ( 0.139 -0.998 4.022) 4.146 21.705 ( 0.120 2.670 -1.878) 3.267 23.469 ( -9.647 -18.829 -11.914) 24.280 28.694 ( -1.065 4.521 2.564) 5.305 29.329 ( 1.462 1.483 2.835) 3.518 29.456 ( 1.137 0.386 4.989) 5.131 29.906 ( -2.694 -3.325 0.863) 4.365 36.874 ( 8.943 -3.451 -6.645) 11.664 37.350 ( 2.273 11.107 -7.675) 13.691 37.953 ( 4.494 1.524 -13.666) 14.466 38.601 ( -2.645 -1.170 10.699) 11.083 39.048 ( 0.759 10.684 0.007) 10.711 39.396 ( 1.981 3.818 -3.789) 5.732 40.455 ( -3.619 -9.675 16.788) 19.711 41.925 ( -0.889 4.331 29.410) 29.741 ======================= Grid point 105 (36/85) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -6.638 -24.001 -4.107) 25.238 3.437 ( -4.553 2.613 -3.737) 6.444 3.851 ( -20.895 0.423 -2.580) 21.058 4.612 ( 3.855 6.982 -2.547) 8.372 5.288 ( -8.406 3.986 10.351) 13.917 6.028 ( -30.183 -12.235 0.467) 32.572 6.477 ( 5.945 12.097 17.524) 22.108 6.743 ( 6.401 0.837 -4.735) 8.006 7.019 ( 1.807 2.041 -2.464) 3.674 7.537 ( -2.357 0.367 6.343) 6.777 7.884 ( -0.529 1.211 6.293) 6.430 8.131 ( -3.682 -2.371 5.486) 7.020 8.464 ( 5.805 -3.445 4.180) 7.940 8.660 ( 4.357 6.583 3.653) 8.698 9.054 ( 2.186 -0.862 8.456) 8.776 9.277 ( -9.359 2.404 16.569) 19.180 9.576 ( -2.820 2.811 4.435) 5.960 9.730 ( 1.677 -13.571 3.862) 14.209 9.959 ( 3.517 4.697 3.208) 6.687 10.467 ( 1.911 5.272 3.234) 6.474 10.587 ( -9.383 -0.079 0.542) 9.399 11.033 ( 8.146 3.651 0.557) 8.944 11.386 ( -4.606 3.760 -2.058) 6.292 11.883 ( -3.459 -2.037 -7.355) 8.379 12.205 ( 1.041 -1.212 3.507) 3.854 12.339 ( 0.058 -5.697 6.982) 9.012 12.446 ( -14.306 -4.531 3.339) 15.373 13.245 ( -5.047 -5.978 -17.748) 19.396 13.599 ( 0.599 -2.158 -0.870) 2.402 13.997 ( 11.381 1.872 -11.046) 15.970 14.230 ( 1.426 -9.628 -7.913) 12.544 14.642 ( 4.991 5.176 -4.448) 8.455 14.887 ( 5.743 7.626 -1.970) 9.747 15.039 ( -2.755 6.440 -4.439) 8.293 15.236 ( 7.994 4.634 3.958) 10.052 15.988 ( 18.990 -7.991 1.142) 20.635 17.677 ( 3.727 15.188 2.303) 15.807 18.260 ( -5.192 0.973 -2.588) 5.883 18.568 ( 9.946 7.387 0.253) 12.392 19.415 ( -2.289 -2.253 0.039) 3.213 19.494 ( -2.005 0.925 -5.571) 5.993 20.144 ( -3.730 -4.148 -1.660) 5.821 20.321 ( -8.541 -6.077 -1.139) 10.544 20.415 ( -5.042 -0.888 3.653) 6.289 21.027 ( 3.592 -5.073 -3.236) 7.008 21.369 ( 1.165 -1.137 5.776) 6.001 21.703 ( -0.137 4.859 -1.213) 5.010 23.047 ( -10.174 -14.876 -11.673) 21.473 28.738 ( -3.052 4.090 2.320) 5.606 29.376 ( -1.225 -0.376 2.243) 2.583 29.572 ( 4.440 1.297 4.699) 6.594 29.844 ( -5.360 -3.623 0.539) 6.492 36.902 ( 13.956 -1.239 -5.361) 15.002 37.336 ( 3.641 7.450 -7.018) 10.863 37.830 ( 8.247 2.961 -13.840) 16.381 38.698 ( -3.046 -1.215 7.412) 8.105 39.128 ( 0.034 11.771 -0.708) 11.792 39.404 ( 0.322 2.109 0.418) 2.174 40.540 ( -7.465 -13.068 12.854) 19.792 42.375 ( -1.033 3.876 26.644) 26.945 ======================= Grid point 106 (37/85) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -12.602 -21.279 -9.633) 26.540 3.232 ( -6.630 -15.834 -8.398) 19.110 3.616 ( -24.826 0.088 9.289) 26.507 4.428 ( -20.482 3.791 -10.330) 23.251 5.258 ( -25.308 -6.152 5.249) 26.569 5.742 ( -11.620 0.455 5.103) 12.699 6.644 ( 5.634 -0.699 -1.538) 5.882 6.881 ( -1.048 12.121 1.436) 12.251 7.106 ( 0.082 4.715 10.835) 11.816 7.577 ( 4.993 -3.484 -2.055) 6.426 7.798 ( -15.832 -2.428 3.209) 16.336 8.123 ( -23.781 -10.706 0.132) 26.081 8.464 ( 3.877 -2.810 4.746) 6.741 8.869 ( 8.923 -3.118 0.835) 9.488 9.095 ( 2.920 -1.178 0.287) 3.162 9.160 ( -11.390 -11.429 0.880) 16.159 9.544 ( -16.517 -0.855 6.893) 17.918 9.796 ( -4.919 -0.244 9.610) 10.799 10.190 ( 12.557 -0.035 3.614) 13.066 10.499 ( -6.422 -0.957 2.455) 6.941 10.578 ( -1.749 13.423 2.155) 13.707 11.184 ( 8.436 2.924 1.721) 9.093 11.393 ( -1.530 -0.611 3.404) 3.782 11.581 ( -9.182 -0.636 -14.655) 17.306 12.055 ( -19.289 -9.486 -0.925) 21.515 12.318 ( 4.334 1.927 2.442) 5.335 12.660 ( 12.906 -7.014 5.272) 15.607 12.977 ( -0.963 7.520 -2.557) 8.001 13.531 ( 2.426 -6.078 -9.250) 11.330 13.984 ( 8.611 6.813 -5.876) 12.454 14.160 ( 8.661 -6.616 -3.897) 11.575 14.623 ( 6.116 7.837 -9.462) 13.724 15.004 ( -2.122 4.296 2.020) 5.200 15.050 ( 8.452 6.778 -2.855) 11.204 15.524 ( 14.668 6.562 9.190) 18.511 16.305 ( 28.455 -5.954 9.810) 30.681 17.861 ( 2.253 12.518 4.088) 13.360 18.154 ( -6.428 1.021 -1.890) 6.777 18.773 ( 11.373 7.426 2.169) 13.755 19.329 ( -2.230 -2.361 -6.842) 7.574 19.423 ( -2.789 2.548 0.295) 3.789 20.024 ( -4.830 -6.100 -2.555) 8.190 20.132 ( -10.750 -6.088 -1.582) 12.455 20.402 ( -4.879 0.646 2.341) 5.450 20.949 ( 0.087 -6.759 -4.843) 8.316 21.453 ( 2.418 -2.162 2.787) 4.276 21.755 ( -0.476 7.663 3.374) 8.386 22.668 ( -7.999 -11.120 -11.895) 18.142 28.749 ( -4.537 2.678 2.012) 5.640 29.367 ( -3.464 -1.851 1.469) 4.194 29.675 ( -1.305 -2.725 2.009) 3.628 29.775 ( -1.461 0.099 1.558) 2.138 37.020 ( 16.482 1.476 -3.502) 16.914 37.326 ( 5.159 3.798 -5.787) 8.633 37.774 ( 10.976 5.866 -12.022) 17.304 38.745 ( -1.864 -0.349 3.377) 3.873 39.175 ( -0.270 11.784 -3.786) 12.380 39.450 ( -3.846 -1.123 7.757) 8.730 40.493 ( -10.578 -14.961 7.832) 19.927 42.768 ( 1.249 3.359 20.242) 20.557 ======================= Grid point 107 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -19.837 -24.167 7.378) 32.124 2.877 ( -17.423 -20.019 -0.916) 26.555 3.449 ( -19.239 -4.937 -0.249) 19.864 4.013 ( -36.688 8.130 2.426) 37.657 4.867 ( -32.852 -14.038 3.085) 35.859 5.794 ( 3.473 4.789 2.076) 6.269 6.654 ( -4.035 2.966 -2.133) 5.443 6.911 ( -11.544 3.534 4.675) 12.946 7.158 ( -49.838 -16.528 6.256) 52.878 7.340 ( -14.992 -5.903 4.812) 16.816 7.581 ( 1.370 -4.808 -1.094) 5.118 7.916 ( 6.979 6.406 -4.214) 10.369 8.483 ( -3.293 -23.201 -3.290) 23.663 8.766 ( -4.488 -5.684 -0.198) 7.245 8.910 ( 0.096 -0.516 -8.060) 8.077 9.401 ( 6.846 8.682 2.138) 11.261 9.516 ( -7.243 4.837 13.136) 15.761 9.719 ( -15.887 -3.035 1.125) 16.213 10.239 ( -5.136 -6.581 -2.565) 8.733 10.472 ( -0.045 0.221 2.779) 2.789 10.733 ( 6.109 9.744 1.679) 11.623 11.096 ( -8.611 -6.948 -13.136) 17.175 11.308 ( 2.621 -1.144 -2.387) 3.725 11.551 ( 1.337 9.571 0.553) 9.680 11.875 ( -0.820 -1.691 5.070) 5.407 12.387 ( 0.954 -2.887 2.250) 3.783 12.754 ( -1.675 -4.293 4.516) 6.452 13.097 ( 10.403 -4.946 -2.780) 11.850 13.481 ( 7.738 13.247 0.104) 15.341 14.069 ( 12.161 2.927 -6.104) 13.918 14.193 ( 8.781 -3.627 -0.788) 9.533 14.643 ( 7.390 8.565 -5.196) 12.448 15.035 ( 1.705 4.403 -0.229) 4.727 15.135 ( 8.585 6.211 -5.529) 11.952 15.879 ( 13.343 3.107 8.212) 15.972 16.834 ( 35.359 -3.734 9.181) 36.722 17.989 ( -0.523 1.187 2.315) 2.654 18.106 ( -5.731 6.877 3.574) 9.640 18.983 ( 11.394 5.689 0.443) 12.743 19.185 ( -3.013 -1.059 -3.005) 4.385 19.446 ( -1.220 4.508 2.342) 5.224 19.880 ( -6.297 -7.080 -0.624) 9.496 19.954 ( -10.112 -5.260 0.293) 11.402 20.386 ( -4.562 3.774 1.363) 6.075 20.789 ( -3.514 -7.826 -6.462) 10.740 21.480 ( 3.131 -0.930 -1.606) 3.639 21.898 ( -0.439 8.001 8.631) 11.777 22.328 ( -6.968 -8.858 -11.696) 16.242 28.731 ( -5.281 0.751 1.793) 5.627 29.322 ( -4.314 -2.272 0.808) 4.943 29.567 ( -9.559 -4.674 -0.063) 10.640 29.847 ( 3.603 1.280 1.351) 4.055 37.161 ( 10.189 5.404 -4.636) 12.431 37.374 ( 14.136 -0.633 -1.992) 14.289 37.808 ( 11.599 9.811 -7.970) 17.156 38.762 ( -0.169 -0.256 0.919) 0.969 39.170 ( -1.546 11.045 -5.476) 12.425 39.521 ( -6.838 -4.886 11.702) 14.407 40.342 ( -11.803 -14.531 4.002) 19.144 43.024 ( 3.854 2.251 3.208) 5.496 ======================= Grid point 108 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -17.767 -28.680 31.020) 45.831 2.551 ( -29.007 -16.594 11.332) 35.287 3.045 ( -23.857 -1.517 -6.549) 24.786 3.840 ( -36.338 9.153 19.734) 42.351 4.447 ( -29.497 -17.569 6.032) 34.859 5.886 ( -13.700 -5.234 -0.781) 14.687 6.114 ( -56.099 -13.949 11.922) 59.024 6.632 ( -3.360 3.265 -3.937) 6.120 7.033 ( -5.231 1.337 8.105) 9.739 7.323 ( -6.187 -4.713 2.614) 8.205 7.536 ( -4.161 -7.177 1.332) 8.402 7.980 ( 3.996 2.622 -8.979) 10.172 8.157 ( -2.250 -15.468 -2.168) 15.780 8.681 ( -14.396 3.520 -1.610) 14.908 8.794 ( 3.399 4.806 -11.920) 13.294 9.383 ( -15.568 0.283 8.634) 17.804 9.499 ( -10.792 -5.616 -1.103) 12.216 9.779 ( 10.361 -2.691 3.786) 11.354 10.065 ( -10.764 0.768 0.465) 10.802 10.486 ( 5.564 -1.617 -6.001) 8.342 10.821 ( 0.300 -0.084 -11.504) 11.508 10.928 ( 9.424 7.709 2.819) 12.498 11.203 ( -4.262 5.962 -5.901) 9.410 11.702 ( 8.897 1.855 3.319) 9.676 12.044 ( 3.069 0.236 9.908) 10.375 12.348 ( -4.081 -9.429 -0.195) 10.276 12.712 ( -14.120 -5.870 8.659) 17.573 13.167 ( 14.623 0.746 -0.342) 14.646 13.766 ( 15.594 14.572 -0.269) 21.345 14.114 ( 12.910 -0.661 -7.574) 14.982 14.269 ( 3.985 4.298 -0.334) 5.871 14.745 ( 6.342 3.588 0.444) 7.300 15.108 ( 8.154 4.894 -3.069) 9.993 15.212 ( 11.820 8.042 -3.828) 14.800 16.089 ( 9.091 -1.018 0.071) 9.148 17.162 ( 19.931 -5.601 -12.758) 24.318 17.932 ( -8.068 -2.235 -2.169) 8.648 18.147 ( -0.914 -1.645 0.763) 2.031 19.092 ( 8.520 2.548 -3.108) 9.420 19.291 ( 6.246 0.000 11.351) 12.956 19.513 ( -0.562 4.657 2.438) 5.286 19.825 ( -7.043 -4.171 6.169) 10.250 19.865 ( -2.166 -4.328 11.581) 12.551 20.411 ( -2.643 9.843 2.805) 10.570 20.578 ( -5.330 -7.076 -6.006) 10.703 21.473 ( 3.318 0.721 -4.222) 5.418 22.021 ( -6.899 -6.328 -8.091) 12.374 22.144 ( 3.549 7.621 13.884) 16.231 28.690 ( -5.552 -1.354 1.622) 5.940 29.266 ( -4.268 -1.571 0.574) 4.584 29.422 ( -9.420 -3.239 0.170) 9.963 29.890 ( 1.911 -0.018 -0.621) 2.010 37.193 ( 3.622 7.836 -5.864) 10.436 37.575 ( 20.247 -2.136 -0.070) 20.360 37.935 ( 10.191 12.868 -3.181) 16.720 38.776 ( 1.326 -1.966 1.395) 2.751 39.117 ( -4.360 8.671 -6.086) 11.456 39.562 ( -7.031 -8.284 9.962) 14.741 40.178 ( -10.309 -10.558 4.793) 15.515 42.826 ( -7.104 -3.430 -32.457) 33.402 ======================= Grid point 109 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -29.706 -23.753 11.404) 39.708 2.245 ( -17.244 -15.854 25.943) 34.954 3.111 ( -10.720 2.689 42.270) 43.690 3.737 ( -47.052 14.440 19.117) 52.800 4.135 ( -21.556 -22.644 12.319) 33.603 5.223 ( -57.965 -9.115 16.577) 60.974 6.224 ( 9.444 0.088 9.220) 13.199 6.575 ( -0.862 3.197 -4.212) 5.358 7.054 ( -10.437 -10.130 7.500) 16.364 7.244 ( 0.718 -1.406 0.274) 1.603 7.419 ( -5.571 -6.416 -1.867) 8.700 7.796 ( -8.983 -0.324 -5.140) 10.355 8.131 ( 5.417 3.443 -8.901) 10.974 8.405 ( -29.110 6.785 -2.352) 29.982 8.737 ( 10.886 0.713 -7.162) 13.050 9.316 ( -11.308 -5.640 7.232) 14.560 9.436 ( -0.317 -3.053 1.553) 3.440 9.804 ( 2.160 -6.212 -1.419) 6.729 10.006 ( -8.451 6.137 0.049) 10.444 10.456 ( 8.068 -1.498 -5.572) 9.919 10.690 ( 2.578 5.954 -9.295) 11.336 11.099 ( 1.945 0.854 -2.070) 2.966 11.251 ( 10.711 12.177 5.054) 16.987 11.842 ( 8.102 -2.546 1.984) 8.722 12.143 ( -4.338 -1.605 -3.975) 6.099 12.225 ( -1.022 -12.734 7.453) 14.790 12.652 ( -16.846 -1.868 12.006) 20.771 13.420 ( 19.056 5.885 0.484) 19.950 13.981 ( 13.188 6.047 -3.558) 14.938 14.151 ( 9.478 2.612 -5.939) 11.486 14.357 ( 4.381 9.140 0.811) 10.168 14.809 ( 2.195 0.739 -0.717) 2.424 15.168 ( 8.442 3.996 -5.694) 10.939 15.436 ( 18.005 7.191 -0.186) 19.389 16.078 ( 2.991 -3.426 -9.724) 10.735 16.742 ( -15.764 -15.622 -28.632) 36.226 17.780 ( -7.180 0.508 -2.703) 7.689 18.098 ( -5.694 -4.606 2.395) 7.705 19.107 ( 2.960 0.280 -7.049) 7.651 19.431 ( 3.552 -1.815 0.650) 4.041 19.566 ( 0.085 1.591 2.380) 2.865 19.814 ( -4.998 -3.375 8.090) 10.091 20.177 ( 9.035 -6.670 9.342) 14.607 20.400 ( -2.538 -4.125 -2.167) 5.306 20.716 ( 12.132 15.552 16.923) 25.989 21.435 ( 2.932 1.329 -6.503) 7.256 21.817 ( -5.085 -4.305 -3.080) 7.340 22.667 ( 26.225 10.797 25.679) 38.259 28.634 ( -5.257 -2.704 1.547) 6.111 29.226 ( -3.410 0.244 1.125) 3.599 29.316 ( -6.970 -1.566 1.055) 7.222 29.885 ( 0.868 -0.578 -1.285) 1.655 37.204 ( 2.023 11.890 -5.738) 13.356 37.774 ( 15.394 -2.461 -0.899) 15.616 38.079 ( 6.088 10.856 -3.787) 13.010 38.803 ( -1.634 -5.912 3.802) 7.217 38.985 ( -6.613 2.134 -6.583) 9.571 39.565 ( -2.984 -4.968 5.962) 8.314 40.120 ( -9.094 -5.633 8.249) 13.508 41.739 ( -44.043 -12.357 -52.281) 69.468 ======================= Grid point 113 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -0.000 -28.458 -0.424) 28.462 3.437 ( -0.000 13.344 -20.053) 24.086 4.250 ( 0.000 1.442 7.325) 7.466 4.471 ( 0.000 6.981 11.568) 13.511 5.393 ( 0.000 5.601 11.171) 12.497 6.376 ( 0.000 20.561 19.609) 28.413 6.487 ( -0.000 -5.065 -3.607) 6.218 6.649 ( -0.000 -8.633 -8.837) 12.354 6.992 ( -0.000 -3.620 1.993) 4.132 7.607 ( 0.000 0.373 3.139) 3.161 7.871 ( 0.000 0.582 3.875) 3.919 8.149 ( 0.000 9.390 1.184) 9.464 8.287 ( 0.000 -0.334 13.229) 13.233 8.681 ( 0.000 2.516 6.880) 7.326 9.044 ( 0.000 0.315 12.126) 12.130 9.255 ( 0.000 6.819 1.204) 6.924 9.533 ( 0.000 10.589 21.705) 24.150 9.774 ( -0.000 -13.289 4.652) 14.080 10.016 ( 0.000 0.309 6.129) 6.137 10.403 ( 0.000 5.086 1.311) 5.252 10.773 ( -0.000 -2.294 -0.688) 2.394 10.869 ( 0.000 -0.493 3.555) 3.589 11.506 ( 0.000 11.017 -10.270) 15.062 11.920 ( -0.000 -2.880 -0.663) 2.956 12.098 ( 0.000 0.301 13.171) 13.175 12.352 ( -0.000 -8.797 7.741) 11.718 12.796 ( -0.000 -7.621 -12.522) 14.659 13.224 ( -0.000 -2.091 -4.875) 5.305 13.629 ( -0.000 -10.541 -6.865) 12.580 13.833 ( -0.000 2.292 -8.151) 8.467 14.278 ( -0.000 -5.689 -3.971) 6.938 14.602 ( 0.000 5.310 0.890) 5.384 14.691 ( -0.000 -0.065 -22.194) 22.194 15.017 ( 0.000 11.409 -3.129) 11.830 15.276 ( -0.000 -3.118 2.764) 4.166 15.665 ( -0.000 -10.507 -2.940) 10.911 17.638 ( 0.000 19.900 2.921) 20.113 18.376 ( 0.000 3.863 -1.182) 4.040 18.394 ( 0.000 6.749 -0.988) 6.821 19.443 ( -0.000 -2.441 -1.357) 2.793 19.524 ( -0.000 1.394 -4.104) 4.334 20.190 ( -0.000 -5.577 -1.606) 5.803 20.420 ( -0.000 -5.247 3.236) 6.165 20.514 ( -0.000 -1.699 0.406) 1.747 20.952 ( -0.000 -5.479 -2.551) 6.044 21.354 ( 0.000 -1.753 5.156) 5.446 21.707 ( 0.000 6.047 -1.161) 6.157 23.185 ( -0.000 -18.670 -13.946) 23.303 28.785 ( 0.000 7.259 2.421) 7.652 29.377 ( 0.000 1.036 3.236) 3.398 29.522 ( 0.000 -1.191 4.698) 4.847 29.913 ( -0.000 -3.661 1.005) 3.797 36.712 ( -0.000 -3.074 -4.374) 5.347 37.292 ( 0.000 9.930 -7.512) 12.451 37.727 ( -0.000 1.503 -13.281) 13.366 38.730 ( 0.000 -1.122 5.176) 5.296 39.129 ( 0.000 16.791 -2.607) 16.993 39.407 ( 0.000 0.920 4.851) 4.938 40.634 ( -0.000 -15.996 14.652) 21.692 42.384 ( 0.000 6.012 24.033) 24.774 ======================= Grid point 114 (42/85) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -4.886 -22.929 -4.740) 23.918 3.234 ( 2.110 -4.812 -10.825) 12.033 4.130 ( -13.412 -3.591 -2.389) 14.089 4.727 ( -5.679 9.445 8.838) 14.127 5.613 ( -6.284 5.954 12.457) 15.170 6.247 ( -19.765 -11.485 -1.595) 22.915 6.502 ( 5.466 0.906 -4.528) 7.155 6.861 ( 4.305 23.700 12.802) 27.279 6.999 ( 0.797 5.846 -0.919) 5.972 7.567 ( -1.688 -4.278 -3.215) 5.611 7.957 ( -0.620 -0.292 3.394) 3.462 8.144 ( 6.011 -0.092 0.885) 6.077 8.526 ( 1.714 4.252 7.050) 8.410 8.756 ( -3.106 -5.196 6.646) 8.989 9.033 ( 0.484 -2.156 -5.092) 5.551 9.513 ( 12.789 -7.669 5.876) 16.028 9.740 ( -17.375 -2.597 9.372) 19.911 9.848 ( -7.598 -1.505 12.737) 14.907 10.064 ( -0.913 1.739 10.068) 10.258 10.496 ( 5.129 8.273 0.075) 9.734 10.748 ( -3.976 1.937 7.286) 8.524 11.049 ( 2.628 3.297 7.076) 8.237 11.396 ( -1.463 7.452 -7.871) 10.937 11.825 ( -9.124 -6.340 -4.513) 11.993 12.170 ( 2.995 -4.731 -1.174) 5.721 12.445 ( -2.163 -5.123 8.621) 10.259 12.564 ( -3.919 -5.429 -3.090) 7.374 13.155 ( -10.178 -1.442 0.246) 10.282 13.391 ( 4.905 -11.533 -12.390) 17.623 13.760 ( 3.835 8.154 -9.436) 13.047 14.101 ( -4.954 -5.298 -7.158) 10.191 14.449 ( 12.514 10.539 -17.461) 23.928 14.785 ( 12.379 1.926 3.490) 13.005 15.100 ( 1.601 4.000 4.730) 6.398 15.278 ( -2.786 -2.846 4.963) 6.364 15.705 ( 17.433 -8.069 2.002) 19.314 17.835 ( 0.336 18.208 4.439) 18.744 18.294 ( -4.550 3.745 -3.045) 6.633 18.552 ( 6.249 9.136 3.238) 11.532 19.373 ( -1.096 -2.317 -4.921) 5.549 19.479 ( -1.438 2.364 -1.516) 3.154 20.101 ( -1.618 -9.593 -1.628) 9.864 20.358 ( -6.727 -6.921 -1.098) 9.713 20.492 ( -1.771 -0.255 1.224) 2.168 20.904 ( 2.372 -5.255 -2.235) 6.183 21.407 ( 1.108 -3.076 2.358) 4.031 21.770 ( -0.519 10.071 2.909) 10.495 22.823 ( -3.920 -15.691 -13.657) 21.168 28.852 ( -3.105 7.349 1.865) 8.193 29.425 ( -1.073 -0.827 2.816) 3.125 29.593 ( 3.141 -2.009 3.816) 5.335 29.885 ( -3.272 -3.097 0.911) 4.597 36.693 ( 8.260 -1.336 -2.764) 8.812 37.255 ( 1.230 8.013 -6.333) 10.287 37.575 ( 4.747 3.230 -11.636) 12.976 38.765 ( -0.197 1.046 0.159) 1.076 39.177 ( 0.004 16.479 -5.724) 17.445 39.538 ( -2.449 -0.964 12.586) 12.859 40.678 ( -4.218 -20.146 10.424) 23.072 42.737 ( 0.926 5.275 15.585) 16.480 ======================= Grid point 115 (43/85) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -10.186 -26.861 6.760) 29.512 3.098 ( -2.242 -7.994 -0.448) 8.315 3.890 ( -16.178 -1.904 -2.937) 16.552 4.703 ( -20.067 7.306 2.444) 21.495 5.622 ( -19.843 -2.635 6.529) 21.055 5.899 ( -17.683 -6.425 -1.682) 18.889 6.597 ( 5.669 8.358 0.227) 10.102 7.058 ( -4.216 11.308 4.589) 12.912 7.224 ( 9.955 13.535 3.550) 17.173 7.462 ( -0.829 -4.421 -1.728) 4.819 7.949 ( -5.589 -0.804 3.347) 6.564 8.271 ( 2.765 -3.283 0.185) 4.296 8.566 ( -12.872 -5.239 4.972) 14.759 8.733 ( 2.048 -15.320 0.188) 15.458 8.959 ( 4.486 1.821 -6.084) 7.775 9.293 ( -20.248 -8.836 -5.892) 22.864 9.696 ( -4.005 -10.450 8.309) 13.938 9.992 ( -0.129 4.561 4.859) 6.665 10.216 ( -1.313 -3.690 9.441) 10.221 10.578 ( -4.749 4.146 1.740) 6.539 10.813 ( -9.683 6.873 3.891) 12.496 11.144 ( 4.905 0.423 1.418) 5.124 11.408 ( 2.829 5.244 -8.776) 10.607 11.532 ( -12.059 -0.881 0.475) 12.100 12.179 ( -13.875 -6.716 -4.884) 16.170 12.276 ( -0.865 -2.316 -0.990) 2.664 12.576 ( 6.555 -0.754 4.562) 8.022 13.051 ( -1.642 -5.079 -0.794) 5.396 13.348 ( 6.059 3.133 1.692) 7.028 13.712 ( 13.172 -5.193 -11.219) 18.065 14.030 ( 4.002 0.411 -0.159) 4.026 14.456 ( 9.647 17.610 -12.244) 23.518 14.950 ( 7.919 4.988 -2.389) 9.660 15.143 ( -8.199 3.514 2.967) 9.401 15.494 ( 19.261 -5.966 12.133) 23.532 15.987 ( 28.541 -10.920 6.486) 31.239 18.001 ( -0.612 10.628 3.162) 11.106 18.251 ( -5.268 5.526 1.388) 7.760 18.741 ( 7.971 9.352 1.027) 12.330 19.256 ( -2.567 -1.330 -4.124) 5.036 19.482 ( -1.207 4.072 0.962) 4.354 19.983 ( -2.762 -11.707 -0.083) 12.029 20.194 ( -8.922 -5.095 -1.260) 10.351 20.489 ( -2.957 1.761 1.059) 3.601 20.833 ( -0.570 -5.951 -3.785) 7.076 21.411 ( 2.331 -2.053 -1.711) 3.546 21.916 ( -0.809 11.694 6.679) 13.491 22.472 ( -4.686 -12.205 -12.330) 17.971 28.867 ( -5.602 5.149 1.408) 7.737 29.417 ( -3.456 -3.141 1.823) 5.013 29.673 ( 3.641 -3.119 2.144) 5.252 29.828 ( -4.649 -1.238 0.617) 4.851 36.798 ( 14.659 0.566 -1.322) 14.730 37.227 ( 1.406 5.409 -5.384) 7.760 37.546 ( 9.430 7.893 -7.680) 14.499 38.757 ( 0.315 2.097 -2.330) 3.150 39.192 ( -0.498 15.785 -6.137) 16.944 39.686 ( -5.834 -4.730 14.672) 16.483 40.585 ( -7.752 -21.536 6.057) 23.677 42.941 ( 2.797 2.991 3.180) 5.185 ======================= Grid point 116 (44/85) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -10.220 -28.927 17.891) 35.515 3.081 ( -13.886 -5.802 17.219) 22.869 3.594 ( -21.781 -0.315 -6.112) 22.624 4.530 ( -21.946 5.603 5.750) 23.369 5.303 ( -38.118 -10.739 7.767) 40.357 5.802 ( 0.987 2.510 0.687) 2.783 6.655 ( 0.130 6.789 -4.185) 7.976 7.153 ( -5.801 7.385 5.805) 11.040 7.371 ( 13.577 0.903 -5.569) 14.703 7.482 ( -5.550 -3.115 5.613) 8.486 7.813 ( -35.044 -10.382 -4.506) 36.826 8.011 ( -23.520 -4.070 8.184) 25.234 8.310 ( -10.143 -19.800 -3.455) 22.514 8.656 ( 2.093 1.218 -9.826) 10.120 8.840 ( -0.870 -5.076 0.071) 5.150 9.305 ( 16.848 9.630 -1.077) 19.436 9.644 ( -5.039 -8.351 1.039) 9.809 10.001 ( -11.025 -1.016 1.702) 11.201 10.255 ( -2.647 -8.536 4.916) 10.199 10.505 ( -8.801 0.264 -2.411) 9.129 10.772 ( -0.347 5.827 -2.798) 6.473 11.043 ( -15.465 3.829 -9.325) 18.461 11.293 ( -0.197 0.930 1.758) 1.999 11.573 ( -2.623 5.097 -0.074) 5.732 11.968 ( -1.251 2.056 4.395) 5.011 12.320 ( 5.401 -9.312 -0.053) 10.765 12.776 ( 14.080 3.025 0.801) 14.423 12.981 ( -3.934 -8.424 4.530) 10.342 13.530 ( 4.433 13.837 1.436) 14.601 13.707 ( 20.342 -7.469 -7.358) 22.885 14.131 ( 6.083 1.845 2.986) 7.023 14.547 ( 9.086 14.388 -4.840) 17.692 15.003 ( 5.788 6.455 -4.795) 9.908 15.102 ( -6.148 2.980 0.367) 6.842 15.835 ( 13.614 -5.375 8.054) 16.706 16.394 ( 37.463 -13.483 3.047) 39.932 18.057 ( -3.130 0.866 2.433) 4.058 18.246 ( -6.018 4.042 -0.113) 7.251 18.868 ( 8.744 4.465 -3.689) 10.488 19.238 ( -0.299 1.626 4.742) 5.022 19.533 ( -0.714 6.019 2.268) 6.472 19.904 ( -2.377 -9.403 5.102) 10.958 20.059 ( -8.951 -3.017 1.671) 9.592 20.486 ( -2.975 5.781 0.369) 6.512 20.694 ( -4.212 -6.115 -4.707) 8.791 21.391 ( 3.268 0.193 -4.312) 5.414 22.105 ( -0.258 11.071 7.410) 13.324 22.170 ( -4.660 -8.383 -8.999) 13.153 28.837 ( -6.588 1.520 1.210) 6.869 29.369 ( -4.121 -3.366 1.057) 5.425 29.645 ( -6.890 -3.818 0.525) 7.894 29.819 ( 2.676 -0.301 -0.247) 2.704 36.994 ( 17.003 3.765 -0.723) 17.429 37.211 ( 3.969 3.775 -4.059) 6.817 37.666 ( 11.714 12.089 -2.701) 17.049 38.740 ( 1.293 1.263 -2.225) 2.866 39.190 ( -1.890 15.377 -6.545) 16.818 39.764 ( -8.591 -11.467 13.079) 19.400 40.418 ( -8.992 -18.826 4.954) 21.443 42.888 ( 0.128 -0.908 -15.588) 15.614 ======================= Grid point 117 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -7.341 -23.333 21.716) 32.709 2.959 ( -30.344 -7.560 -3.396) 31.456 3.471 ( -16.724 2.173 32.920) 36.989 4.476 ( -17.985 4.576 11.973) 22.085 4.902 ( -39.729 -9.970 11.182) 42.460 5.884 ( 5.609 -2.821 2.320) 6.693 6.597 ( -3.544 2.331 -4.696) 6.328 6.949 ( -51.363 -9.782 -0.642) 52.290 7.265 ( -8.309 -3.000 4.570) 9.946 7.322 ( -8.089 -17.406 -5.458) 19.954 7.445 ( 0.521 5.301 -0.229) 5.332 7.938 ( -10.882 6.366 -2.155) 12.790 8.113 ( -0.963 -7.574 1.695) 7.821 8.557 ( 2.769 2.982 -6.371) 7.560 8.836 ( -3.421 2.735 -1.247) 4.554 9.448 ( 1.067 0.113 -4.403) 4.532 9.597 ( 8.600 -3.088 -0.329) 9.144 9.765 ( -18.351 -10.646 0.456) 21.221 10.249 ( -0.561 -4.715 2.709) 5.466 10.329 ( -8.187 3.248 -6.214) 10.779 10.728 ( -4.983 1.686 -4.866) 7.166 10.962 ( 2.528 12.343 2.886) 12.925 11.258 ( -7.278 5.298 -0.397) 9.011 11.631 ( 7.012 -1.963 2.213) 7.610 12.117 ( 4.569 2.784 4.213) 6.810 12.265 ( 0.805 -11.953 -2.438) 12.226 12.886 ( 10.611 -6.421 -0.432) 12.411 13.051 ( 0.162 1.205 7.208) 7.310 13.658 ( 11.156 3.125 -1.483) 11.680 13.866 ( 13.110 7.826 -1.713) 15.364 14.268 ( 5.903 9.389 0.301) 11.095 14.688 ( 7.550 4.466 -0.198) 8.774 15.052 ( 1.841 2.406 -3.806) 4.864 15.083 ( 6.656 7.850 -1.237) 10.366 15.968 ( 5.693 -6.397 0.079) 8.564 16.640 ( 22.855 -14.700 -10.145) 29.006 17.975 ( -8.164 -3.240 -3.216) 9.354 18.201 ( -4.339 -1.174 3.631) 5.779 18.934 ( 9.529 1.408 -4.557) 10.656 19.339 ( 2.562 -0.718 3.473) 4.376 19.582 ( -1.307 0.993 2.212) 2.754 19.965 ( -4.758 -1.994 6.015) 7.924 20.043 ( -0.374 -4.248 12.125) 12.853 20.477 ( -3.161 -4.440 -3.501) 6.478 20.602 ( -0.613 11.921 3.563) 12.457 21.355 ( 3.577 1.741 -6.663) 7.760 21.933 ( -4.382 -6.564 -5.618) 9.688 22.357 ( 4.846 11.990 10.475) 16.642 28.773 ( -6.379 -2.388 1.191) 6.914 29.316 ( -3.843 -1.849 0.837) 4.346 29.528 ( -9.678 -1.522 0.530) 9.811 29.836 ( 3.269 -1.605 -1.613) 3.983 37.156 ( 3.385 13.364 -3.633) 14.257 37.318 ( 18.941 -1.208 0.410) 18.984 37.877 ( 10.742 13.453 -0.494) 17.223 38.755 ( 3.192 -1.673 1.676) 3.974 39.137 ( -4.983 11.601 -8.113) 15.007 39.716 ( -8.954 -15.239 7.247) 19.102 40.319 ( -7.548 -13.341 10.218) 18.421 42.390 ( -14.533 -5.811 -35.171) 38.496 ======================= Grid point 118 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -19.988 -22.710 4.264) 30.553 2.687 ( -8.483 -1.762 17.777) 19.776 3.971 ( -13.798 0.635 45.018) 47.090 4.438 ( -22.593 -5.150 12.885) 26.514 4.634 ( -32.509 4.331 17.264) 37.063 5.889 ( -5.814 -13.590 7.084) 16.391 6.338 ( -27.286 -5.645 0.968) 27.880 6.535 ( -10.027 6.150 -7.429) 13.912 6.986 ( 2.403 -20.246 -6.403) 21.369 7.301 ( 0.648 4.045 -3.005) 5.081 7.489 ( -7.929 8.464 8.234) 14.223 7.786 ( -8.854 1.305 -2.872) 9.399 8.134 ( -1.741 -1.654 3.547) 4.283 8.566 ( 3.064 6.606 -2.467) 7.688 8.717 ( -14.967 5.673 -1.356) 16.063 9.340 ( -2.301 -6.688 -6.068) 9.319 9.501 ( -10.049 -6.008 1.597) 11.817 9.711 ( 7.255 -5.889 1.624) 9.484 10.169 ( -10.845 9.088 -4.717) 14.915 10.286 ( 10.202 -7.027 0.023) 12.388 10.632 ( -5.564 5.635 -3.266) 8.567 11.099 ( -2.307 5.112 0.744) 5.658 11.302 ( 5.048 9.015 4.955) 11.459 11.747 ( 8.665 -3.983 3.147) 10.042 12.089 ( -4.664 -7.145 -6.341) 10.631 12.203 ( 1.823 -7.275 2.822) 8.013 12.983 ( 12.463 -5.072 -1.886) 13.587 13.148 ( -0.077 2.901 3.832) 4.807 13.835 ( 12.717 3.186 2.305) 13.312 14.008 ( 8.219 9.217 -4.432) 13.121 14.410 ( 2.978 12.765 0.946) 13.142 14.754 ( 4.076 2.940 -2.707) 5.708 15.044 ( 5.022 1.648 -3.462) 6.318 15.245 ( 13.835 3.325 -2.040) 14.375 15.904 ( -0.894 -6.837 -6.607) 9.550 16.393 ( -4.234 -14.365 -17.789) 23.254 17.826 ( -6.259 -0.947 -2.047) 6.653 18.198 ( -5.805 -2.760 4.546) 7.873 18.947 ( 5.296 0.378 -6.915) 8.718 19.377 ( 2.682 -2.987 0.013) 4.014 19.611 ( -0.285 0.384 2.083) 2.137 19.983 ( -5.347 -2.704 8.259) 10.203 20.177 ( 2.039 -4.477 4.148) 6.435 20.359 ( -0.589 -5.241 -1.222) 5.414 20.889 ( 8.968 12.055 10.033) 18.067 21.297 ( 3.341 2.374 -7.774) 8.788 21.802 ( -2.913 -3.580 -1.472) 4.844 22.749 ( 18.986 8.773 12.666) 24.451 28.697 ( -5.302 -4.478 1.337) 7.068 29.284 ( -2.721 -0.362 1.232) 3.009 29.429 ( -8.716 1.073 1.461) 8.902 29.832 ( 2.860 -1.942 -1.631) 3.823 37.211 ( 0.299 17.371 -4.927) 18.059 37.564 ( 17.591 -0.085 1.097) 17.626 38.032 ( 5.025 9.710 -2.927) 11.318 38.836 ( -0.281 -8.409 5.499) 10.052 38.974 ( -5.549 4.330 -7.294) 10.136 39.644 ( -2.939 -4.323 3.873) 6.505 40.323 ( -9.371 -10.951 9.955) 17.517 41.499 ( -29.783 -6.705 -29.990) 42.794 ======================= Grid point 123 (47/85) ======================= q-point: ( 0.44 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -0.000 -29.001 6.942) 29.821 3.095 ( -0.000 -1.570 -0.049) 1.571 4.107 ( -0.000 -1.033 -5.054) 5.158 4.949 ( 0.000 6.938 3.271) 7.671 5.794 ( 0.000 -0.866 3.016) 3.138 6.314 ( -0.000 -11.745 2.985) 12.118 6.448 ( 0.000 8.303 -0.197) 8.305 6.991 ( 0.000 14.212 -1.741) 14.318 7.231 ( 0.000 22.729 10.273) 24.943 7.465 ( -0.000 -4.548 -5.525) 7.156 8.017 ( 0.000 -0.871 4.609) 4.690 8.130 ( 0.000 -1.682 3.323) 3.724 8.597 ( 0.000 1.440 0.834) 1.664 8.741 ( -0.000 -10.455 -3.341) 10.975 8.930 ( -0.000 -10.323 -5.399) 11.649 9.430 ( -0.000 -8.888 5.465) 10.433 9.961 ( 0.000 5.770 3.822) 6.921 9.999 ( -0.000 -4.839 1.249) 4.997 10.292 ( 0.000 -3.970 10.515) 11.239 10.575 ( 0.000 7.933 12.014) 14.397 10.907 ( 0.000 3.185 7.735) 8.365 11.138 ( -0.000 -3.662 -0.388) 3.683 11.304 ( 0.000 9.154 -7.613) 11.906 11.821 ( -0.000 -9.533 -1.246) 9.614 12.070 ( -0.000 -5.380 -2.307) 5.854 12.410 ( -0.000 5.412 -8.575) 10.141 12.609 ( 0.000 -8.748 12.570) 15.314 13.010 ( -0.000 -14.635 -10.784) 18.179 13.436 ( 0.000 1.273 9.389) 9.475 13.714 ( 0.000 20.163 -11.167) 23.049 13.856 ( -0.000 4.465 -21.266) 21.730 14.180 ( -0.000 2.226 -4.372) 4.906 14.785 ( 0.000 -4.754 6.449) 8.012 15.176 ( 0.000 -6.739 8.475) 10.828 15.363 ( -0.000 -3.369 3.132) 4.600 15.620 ( 0.000 -1.354 6.534) 6.673 18.010 ( 0.000 12.931 3.589) 13.420 18.322 ( 0.000 4.250 -0.008) 4.250 18.638 ( 0.000 12.254 1.894) 12.400 19.289 ( -0.000 -1.529 -4.352) 4.613 19.496 ( 0.000 3.888 -0.047) 3.888 20.016 ( -0.000 -13.843 0.434) 13.850 20.321 ( -0.000 -6.175 -2.756) 6.762 20.513 ( 0.000 0.024 1.063) 1.063 20.837 ( -0.000 -2.957 -1.909) 3.520 21.382 ( -0.000 -2.428 -1.733) 2.983 21.927 ( 0.000 12.729 6.094) 14.112 22.532 ( -0.000 -13.642 -13.135) 18.938 28.948 ( 0.000 8.118 0.702) 8.148 29.472 ( 0.000 -2.603 3.283) 4.190 29.590 ( -0.000 -4.675 2.014) 5.090 29.901 ( -0.000 -2.264 0.755) 2.387 36.608 ( -0.000 -0.169 -1.143) 1.155 37.225 ( 0.000 8.688 -4.370) 9.725 37.415 ( -0.000 5.341 -8.502) 10.040 38.753 ( -0.000 3.242 -3.260) 4.598 39.198 ( 0.000 16.736 -6.099) 17.812 39.760 ( 0.000 -4.363 15.208) 15.822 40.682 ( -0.000 -24.134 6.823) 25.080 42.905 ( 0.000 3.397 3.089) 4.592 ======================= Grid point 125 (48/85) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -3.886 -28.371 11.218) 30.755 3.242 ( -1.708 -0.850 19.873) 19.965 4.005 ( -10.252 3.136 -1.175) 10.785 4.898 ( -8.247 2.813 -5.709) 10.417 5.781 ( -3.692 -0.649 1.185) 3.931 6.143 ( -21.714 -8.180 4.325) 23.603 6.560 ( 7.235 5.913 -1.920) 9.539 7.068 ( 6.749 9.299 -7.874) 13.930 7.333 ( -6.936 2.631 3.380) 8.152 7.558 ( -0.547 15.037 7.897) 16.993 8.047 ( -3.217 -5.465 2.193) 6.710 8.182 ( 3.805 -4.766 1.215) 6.219 8.454 ( 0.524 -24.311 -8.890) 25.890 8.651 ( 1.523 -0.342 -5.488) 5.705 8.853 ( 8.324 5.032 -1.168) 9.797 9.443 ( -12.423 -5.690 5.212) 14.624 9.820 ( -11.914 -8.038 -3.289) 14.744 10.036 ( -1.275 -1.082 3.180) 3.593 10.319 ( -3.135 -7.240 3.495) 8.629 10.727 ( -8.954 -3.313 4.879) 10.722 10.931 ( -7.960 -0.716 -7.607) 11.033 11.077 ( 9.113 -1.605 2.486) 9.581 11.287 ( 0.122 5.578 -6.510) 8.573 11.733 ( -5.793 3.672 5.541) 8.817 12.072 ( 8.318 -3.351 -2.508) 9.312 12.330 ( -6.963 -0.381 -5.467) 8.861 12.634 ( -9.609 1.043 2.444) 9.970 12.945 ( 7.444 -7.616 6.259) 12.353 13.309 ( 5.059 -0.453 -14.235) 15.114 13.550 ( -8.424 11.151 -0.484) 13.983 14.025 ( 5.364 4.703 5.348) 8.915 14.253 ( 16.994 18.546 -7.532) 26.258 14.871 ( 5.462 -3.760 2.401) 7.052 15.279 ( -0.838 -2.854 3.211) 4.377 15.387 ( 9.541 -14.417 10.834) 20.402 15.804 ( 10.919 -4.983 7.938) 14.389 18.111 ( -1.291 4.419 2.958) 5.473 18.352 ( -2.296 3.604 1.185) 4.434 18.722 ( 3.059 8.417 -3.949) 9.787 19.255 ( -0.614 1.887 1.339) 2.394 19.540 ( 0.024 6.145 1.405) 6.303 19.945 ( -0.908 -13.561 4.143) 14.209 20.227 ( -4.255 -2.216 -1.287) 4.967 20.527 ( -0.446 1.052 0.540) 1.264 20.773 ( -2.047 -2.398 -3.012) 4.361 21.332 ( 1.389 -0.214 -4.355) 4.576 22.117 ( -0.448 13.866 6.442) 15.296 22.250 ( -1.759 -10.199 -10.759) 14.929 28.976 ( -3.947 5.654 -0.221) 6.899 29.461 ( -3.592 -5.769 2.153) 7.128 29.618 ( 5.063 -4.013 1.095) 6.553 29.872 ( -3.313 -1.753 -0.112) 3.750 36.652 ( 8.369 0.770 -0.116) 8.405 37.215 ( -2.408 8.449 -2.961) 9.271 37.420 ( 7.706 10.456 -3.687) 13.502 38.720 ( 0.407 3.461 -4.032) 5.329 39.218 ( -0.528 17.452 -6.446) 18.612 39.919 ( -3.590 -11.502 14.329) 18.722 40.575 ( -3.612 -23.899 4.736) 24.630 42.871 ( 0.660 -0.060 -10.113) 10.135 ======================= Grid point 126 (49/85) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -3.105 -21.148 13.409) 25.232 3.522 ( -13.351 -3.092 16.470) 21.426 3.883 ( -18.391 2.602 14.027) 23.276 4.746 ( -5.041 2.112 -1.307) 5.619 5.708 ( -13.629 -7.641 2.788) 15.871 5.911 ( -19.460 -1.111 4.972) 20.116 6.603 ( 3.823 2.685 -4.640) 6.584 7.012 ( 9.488 2.403 -14.514) 17.506 7.368 ( -4.862 1.682 0.994) 5.240 7.557 ( -9.060 -11.056 -2.585) 14.526 7.968 ( -12.873 -2.330 3.312) 13.495 8.068 ( 0.890 -10.852 -9.148) 14.221 8.304 ( 3.836 -2.934 0.232) 4.835 8.601 ( -0.748 -1.753 -0.683) 2.025 9.028 ( -9.404 6.532 4.745) 12.394 9.190 ( -7.454 -0.065 -1.751) 7.657 9.600 ( -4.186 -9.555 -5.887) 11.978 10.002 ( -2.889 -10.289 -0.777) 10.715 10.285 ( 0.025 -10.136 3.650) 10.773 10.507 ( -9.423 -3.276 -10.748) 14.664 10.808 ( -1.510 -1.075 0.983) 2.098 11.109 ( -5.615 5.808 -4.218) 9.113 11.273 ( 4.337 2.182 0.494) 4.880 11.848 ( -12.281 10.032 7.860) 17.699 12.043 ( -5.550 1.814 -1.719) 6.086 12.149 ( 4.905 -6.200 -4.281) 8.990 12.609 ( 3.977 -3.152 -3.309) 6.059 13.035 ( 3.557 1.127 3.052) 4.820 13.411 ( 12.169 -2.214 3.792) 12.937 13.606 ( 6.171 15.317 1.645) 16.595 14.117 ( 4.078 4.964 -1.651) 6.633 14.501 ( 8.417 12.169 2.272) 14.970 14.925 ( 4.515 3.845 -2.254) 6.344 15.211 ( -7.965 -0.638 -0.105) 7.991 15.702 ( 22.337 -16.491 10.836) 29.804 16.011 ( 15.997 -9.464 4.621) 19.153 18.120 ( -3.884 -4.476 0.625) 5.959 18.332 ( -5.584 2.420 1.005) 6.168 18.729 ( 6.547 2.359 -5.417) 8.819 19.318 ( -0.008 2.567 3.141) 4.056 19.605 ( -0.400 3.419 1.812) 3.890 19.971 ( 0.664 -5.406 8.665) 10.235 20.170 ( -5.441 -0.191 2.754) 6.102 20.533 ( -1.601 1.529 -0.311) 2.235 20.673 ( -3.759 1.112 -2.644) 4.728 21.278 ( 2.599 1.995 -6.722) 7.478 22.018 ( -2.540 -7.932 -6.926) 10.832 22.314 ( -0.022 15.713 5.616) 16.686 28.929 ( -6.142 0.504 -0.457) 6.179 29.402 ( -3.375 -4.842 0.961) 5.980 29.655 ( 2.809 -4.145 0.452) 5.028 29.803 ( -3.822 -1.206 -1.215) 4.188 36.812 ( 15.486 2.002 1.088) 15.653 37.211 ( -2.387 10.680 -1.999) 11.124 37.600 ( 11.386 13.581 0.310) 17.726 38.697 ( 1.518 1.813 -2.150) 3.196 39.216 ( -1.911 17.094 -7.930) 18.941 39.929 ( -7.485 -20.890 9.506) 24.141 40.467 ( -4.502 -19.110 8.571) 21.422 42.584 ( -3.727 -4.043 -23.463) 24.098 ======================= Grid point 127 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -0.887 -17.351 12.543) 21.428 3.173 ( -30.391 -3.543 -8.575) 31.776 4.235 ( -7.960 -0.836 38.717) 39.535 4.795 ( -6.112 5.308 10.143) 12.977 5.460 ( -29.479 -9.732 9.929) 32.593 5.768 ( -1.173 -12.283 -4.924) 13.285 6.549 ( -0.705 4.696 -10.672) 11.681 6.837 ( 6.618 -15.485 -15.839) 23.119 7.147 ( -7.125 -7.796 -6.945) 12.641 7.372 ( -10.631 0.738 -5.040) 11.788 7.767 ( -11.886 2.637 -1.096) 12.224 7.978 ( -1.355 -8.727 2.522) 9.185 8.289 ( -16.806 0.408 6.933) 18.185 8.601 ( 0.139 4.883 1.601) 5.140 8.883 ( -10.011 0.158 0.562) 10.028 9.278 ( 8.947 1.606 -7.033) 11.493 9.461 ( 4.788 -4.758 -0.555) 6.773 9.835 ( -6.857 -13.140 -1.739) 14.923 10.167 ( -7.125 -2.821 -5.431) 9.392 10.342 ( 1.503 -6.010 -2.318) 6.614 10.783 ( -4.481 -2.495 -0.011) 5.129 11.120 ( 0.149 11.788 4.737) 12.705 11.336 ( 1.350 3.561 -0.606) 3.856 11.742 ( -17.284 6.144 4.137) 18.804 12.089 ( 7.388 -0.124 -7.156) 10.286 12.140 ( 2.763 -5.596 4.823) 7.888 12.545 ( 9.054 -10.296 -8.071) 15.910 13.205 ( 3.657 7.438 7.221) 10.993 13.547 ( 9.785 1.622 2.244) 10.169 13.882 ( 3.465 13.567 4.167) 14.609 14.212 ( 13.010 13.110 -3.913) 18.880 14.661 ( 3.145 -0.125 4.141) 5.201 14.967 ( 3.399 5.882 -4.231) 8.003 15.124 ( -4.218 0.210 0.594) 4.265 15.880 ( 4.620 -11.960 3.707) 13.346 16.183 ( 17.519 -11.218 -2.277) 20.928 17.975 ( -6.318 -6.856 -3.221) 9.864 18.326 ( -5.253 -1.016 4.852) 7.223 18.763 ( 8.458 1.714 -4.110) 9.558 19.351 ( -0.481 -0.299 0.574) 0.806 19.627 ( -0.966 -1.142 1.922) 2.435 20.085 ( -1.014 0.901 5.007) 5.188 20.187 ( -2.960 -3.489 7.216) 8.544 20.430 ( -5.165 -6.441 -3.586) 9.002 20.742 ( 3.230 13.653 4.758) 14.815 21.216 ( 3.259 3.443 -8.000) 9.299 21.868 ( -2.423 -5.080 -2.815) 6.293 22.518 ( 3.221 15.175 4.914) 16.273 28.835 ( -6.083 -4.437 -0.145) 7.531 29.351 ( -2.687 -2.481 0.442) 3.684 29.626 ( -4.900 -1.763 0.480) 5.229 29.754 ( 1.657 -2.188 -1.822) 3.295 37.074 ( 19.039 4.650 2.461) 19.752 37.244 ( -1.266 13.522 -1.843) 13.705 37.844 ( 10.388 13.503 0.531) 17.045 38.738 ( 4.451 -1.632 3.651) 5.984 39.138 ( -5.415 11.187 -10.058) 15.989 39.787 ( -7.865 -17.925 4.162) 20.012 40.474 ( -4.042 -18.230 14.233) 23.478 42.012 ( -13.680 -6.826 -30.345) 33.979 ======================= Grid point 128 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -15.032 -21.796 1.112) 26.500 2.935 ( -1.846 0.195 6.557) 6.815 4.636 ( -8.619 -1.358 16.395) 18.572 4.917 ( -14.366 1.668 20.257) 24.890 5.216 ( -28.002 -1.293 9.782) 29.689 5.623 ( 14.848 -26.671 -3.167) 30.690 6.215 ( -3.265 -2.895 -23.793) 24.190 6.666 ( -2.873 -10.341 -1.464) 10.832 6.900 ( -11.622 -2.215 1.091) 11.881 7.291 ( 0.759 4.067 0.135) 4.140 7.716 ( -2.029 4.071 -0.564) 4.584 7.966 ( -10.438 -1.442 8.090) 13.284 8.231 ( -4.159 -2.375 5.397) 7.216 8.624 ( -5.063 5.505 -1.707) 7.671 8.805 ( -1.554 0.873 -0.530) 1.860 9.264 ( -2.392 0.782 0.699) 2.612 9.509 ( 9.470 -5.036 -5.595) 12.097 9.634 ( -9.242 -7.682 0.724) 12.040 10.084 ( 6.935 -5.220 -1.076) 8.746 10.256 ( -5.506 -0.537 -2.478) 6.062 10.715 ( -4.255 -0.772 0.208) 4.329 11.260 ( -8.393 7.636 0.843) 11.378 11.376 ( 4.697 7.542 3.065) 9.399 11.761 ( -1.443 1.520 8.642) 8.893 11.983 ( -0.451 -7.632 -5.742) 9.561 12.195 ( -0.295 -1.525 2.033) 2.558 12.474 ( 17.221 -11.077 -11.474) 23.472 13.362 ( 0.511 6.167 3.548) 7.133 13.793 ( 9.955 7.998 4.258) 13.461 13.957 ( 2.898 9.670 -2.036) 10.298 14.456 ( 7.864 18.201 -1.057) 19.855 14.702 ( 0.774 -0.721 -0.198) 1.076 14.961 ( 2.812 1.721 -1.822) 3.766 15.132 ( 2.422 -2.449 -0.715) 3.518 15.791 ( -5.439 -13.016 -3.426) 14.517 16.156 ( 0.917 -4.035 -5.609) 6.970 17.849 ( -3.719 -3.134 -0.785) 4.927 18.308 ( -5.059 -3.973 2.853) 7.037 18.805 ( 4.765 2.884 -3.615) 6.640 19.338 ( 0.275 -2.476 -0.059) 2.492 19.637 ( -0.376 -0.498 0.825) 1.034 20.129 ( -1.877 -1.168 4.438) 4.958 20.202 ( -4.744 -3.606 2.221) 6.359 20.296 ( 0.610 -6.332 -2.169) 6.721 20.991 ( 7.099 10.691 5.404) 13.925 21.170 ( 2.967 3.999 -5.551) 7.457 21.793 ( -1.894 -3.038 -0.434) 3.606 22.758 ( 10.784 10.374 3.718) 15.418 28.734 ( -4.541 -6.203 0.518) 7.705 29.318 ( -1.712 -1.507 0.514) 2.338 29.565 ( -6.938 1.942 1.436) 7.346 29.744 ( 3.865 -3.198 -1.493) 5.234 37.277 ( -1.694 19.017 -4.107) 19.530 37.397 ( 17.471 3.619 2.892) 18.075 38.005 ( 4.794 8.678 -1.073) 9.972 38.861 ( -3.172 -11.030 3.500) 11.999 38.957 ( -0.680 6.155 -4.153) 7.456 39.691 ( -2.063 -3.023 1.377) 3.910 40.466 ( -9.712 -15.996 4.842) 19.329 41.398 ( -14.136 -8.174 -10.581) 19.457 ======================= Grid point 134 (52/85) ======================= q-point: (-0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.000 -20.550 9.709) 22.729 3.652 ( 0.000 -1.616 28.875) 28.920 4.166 ( 0.000 6.824 9.655) 11.824 4.777 ( -0.000 -2.351 -13.850) 14.048 5.815 ( -0.000 -3.775 1.159) 3.949 6.264 ( -0.000 -4.288 -0.390) 4.306 6.510 ( -0.000 2.332 -2.208) 3.212 6.914 ( -0.000 6.933 -13.330) 15.025 7.443 ( 0.000 0.087 5.579) 5.580 7.767 ( -0.000 -1.054 -4.531) 4.652 7.972 ( -0.000 -7.120 -2.568) 7.569 8.017 ( -0.000 -18.703 -3.405) 19.010 8.332 ( 0.000 3.314 4.068) 5.247 8.507 ( -0.000 -2.551 -6.555) 7.034 8.873 ( 0.000 8.226 3.454) 8.921 9.551 ( -0.000 -8.236 0.408) 8.246 9.671 ( -0.000 -9.697 -9.647) 13.679 10.101 ( -0.000 -3.994 1.637) 4.316 10.297 ( -0.000 -13.580 -0.829) 13.605 10.724 ( -0.000 -1.921 -9.206) 9.405 10.838 ( -0.000 -14.731 -3.381) 15.114 10.968 ( -0.000 -4.597 -3.134) 5.564 11.364 ( 0.000 12.819 5.206) 13.836 11.796 ( 0.000 5.468 -4.142) 6.859 11.996 ( 0.000 0.164 1.819) 1.827 12.287 ( -0.000 -6.125 0.156) 6.127 12.734 ( 0.000 4.604 -3.547) 5.812 13.047 ( -0.000 4.296 -6.869) 8.102 13.134 ( 0.000 3.542 17.127) 17.490 13.647 ( 0.000 21.542 -9.988) 23.745 14.032 ( 0.000 7.286 -6.694) 9.894 14.312 ( 0.000 8.650 16.897) 18.982 14.835 ( -0.000 -8.527 2.446) 8.871 15.258 ( -0.000 -8.420 3.354) 9.063 15.408 ( -0.000 -9.380 6.274) 11.285 15.866 ( 0.000 -6.546 11.666) 13.377 18.166 ( -0.000 -4.532 2.098) 4.994 18.409 ( 0.000 3.836 1.951) 4.303 18.648 ( -0.000 2.542 -7.514) 7.932 19.319 ( 0.000 3.943 2.934) 4.915 19.607 ( 0.000 5.448 1.467) 5.642 19.964 ( 0.000 -8.316 7.893) 11.465 20.239 ( 0.000 1.743 0.191) 1.753 20.553 ( 0.000 1.745 1.858) 2.549 20.725 ( -0.000 -1.373 -3.792) 4.033 21.244 ( -0.000 2.101 -6.731) 7.051 22.049 ( -0.000 -8.459 -7.343) 11.201 22.319 ( 0.000 17.684 4.650) 18.286 29.017 ( 0.000 3.487 -1.954) 3.998 29.465 ( -0.000 -9.795 1.472) 9.904 29.567 ( -0.000 -2.534 0.477) 2.578 29.873 ( -0.000 -1.730 -0.798) 1.905 36.614 ( 0.000 1.514 0.948) 1.786 37.289 ( 0.000 9.217 0.501) 9.230 37.409 ( 0.000 15.259 -1.439) 15.327 38.680 ( -0.000 3.036 -3.377) 4.541 39.238 ( 0.000 18.527 -7.816) 20.108 40.025 ( -0.000 -22.154 10.749) 24.624 40.523 ( -0.000 -21.296 7.337) 22.525 42.623 ( -0.000 -3.552 -19.965) 20.279 ======================= Grid point 136 (53/85) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 0.668 -14.380 6.995) 16.005 3.852 ( -21.291 -0.041 1.898) 21.375 4.364 ( -4.429 -1.876 17.432) 18.083 4.709 ( 11.129 -1.548 10.062) 15.083 5.683 ( -5.262 -16.070 -6.102) 17.977 6.216 ( -9.931 3.332 1.256) 10.550 6.387 ( 3.413 -0.951 -16.811) 17.180 6.809 ( -0.677 2.865 -4.052) 5.009 7.340 ( -11.356 -19.545 -8.831) 24.268 7.527 ( -3.087 -2.665 -3.408) 5.314 7.749 ( 7.138 -10.000 -10.696) 16.290 8.206 ( 10.064 3.381 0.158) 10.618 8.238 ( -14.628 -4.793 6.374) 16.660 8.592 ( 7.697 -1.742 4.390) 9.031 8.991 ( 6.784 2.080 -3.169) 7.771 9.239 ( -7.428 -3.580 -13.866) 16.133 9.584 ( -6.691 -8.468 3.215) 11.261 9.988 ( -9.650 -9.362 -3.883) 13.994 10.151 ( 6.045 -15.705 -2.235) 16.975 10.520 ( -14.411 -0.959 -4.514) 15.132 10.721 ( 6.539 -7.375 -2.234) 10.106 10.995 ( 12.669 -4.425 -2.212) 13.600 11.423 ( -12.570 10.135 1.593) 16.225 11.801 ( 12.197 2.675 -8.183) 14.929 12.051 ( 0.435 -0.176 2.070) 2.122 12.256 ( -8.395 0.706 4.609) 9.603 12.630 ( -11.080 4.042 -1.917) 11.949 13.106 ( 2.218 13.492 5.539) 14.752 13.427 ( 1.682 1.432 6.070) 6.459 13.702 ( 3.922 19.133 5.104) 20.186 14.013 ( 6.261 5.223 -7.471) 11.058 14.606 ( 1.082 4.020 9.784) 10.633 14.848 ( 6.510 1.889 -1.941) 7.051 15.227 ( -0.940 -2.849 -2.693) 4.031 15.538 ( 12.213 -13.230 12.377) 21.849 16.008 ( 0.411 -9.081 12.018) 15.069 18.093 ( -2.793 -11.196 -1.831) 11.684 18.450 ( -4.751 1.669 2.070) 5.444 18.591 ( 5.518 2.021 -2.988) 6.593 19.374 ( -0.825 2.316 1.495) 2.878 19.643 ( -0.238 0.264 0.868) 0.938 20.066 ( 1.091 0.679 6.648) 6.771 20.254 ( -1.702 0.361 1.790) 2.496 20.571 ( -5.738 -3.139 -0.244) 6.545 20.688 ( 2.683 7.081 0.735) 7.608 21.157 ( 1.310 4.340 -8.209) 9.377 21.910 ( -0.969 -5.700 -3.503) 6.760 22.502 ( -0.495 20.206 2.232) 20.335 28.963 ( -3.694 -1.730 -2.557) 4.814 29.402 ( -1.425 -6.636 0.166) 6.789 29.574 ( 3.791 -5.048 -0.209) 6.316 29.830 ( -3.217 -0.640 -0.742) 3.363 36.709 ( 8.895 3.030 2.637) 9.760 37.333 ( -5.247 12.158 0.984) 13.278 37.588 ( 9.416 16.302 0.876) 18.846 38.670 ( 1.341 1.091 -0.306) 1.756 39.218 ( -1.559 17.043 -9.904) 19.773 39.948 ( -4.202 -26.588 5.867) 27.550 40.532 ( -1.004 -21.303 13.221) 25.093 42.206 ( -3.555 -6.608 -26.351) 27.399 ======================= Grid point 137 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 2.348 -13.573 4.117) 14.376 3.342 ( -30.095 -7.371 -13.536) 33.812 4.594 ( 7.896 0.634 7.451) 10.874 5.124 ( 5.626 -11.196 21.226) 24.648 5.340 ( -1.001 -17.022 -13.736) 21.896 5.963 ( -20.578 -0.363 -7.170) 21.795 6.166 ( 1.017 -11.321 -10.444) 15.436 6.766 ( -8.315 1.046 3.040) 8.915 7.016 ( -0.283 -15.047 -5.988) 16.197 7.362 ( -4.362 1.716 -8.645) 9.834 7.691 ( 5.116 -3.785 -3.140) 7.097 8.070 ( -2.169 -11.165 -0.443) 11.382 8.346 ( 1.416 -0.023 -1.419) 2.005 8.625 ( 1.113 -10.242 -1.984) 10.491 8.827 ( 1.731 -4.159 -6.854) 8.203 9.219 ( 3.298 9.038 -0.377) 9.628 9.506 ( -7.104 -3.418 4.557) 9.106 9.761 ( -6.331 -11.976 -0.636) 13.561 10.137 ( 4.673 -2.297 -3.274) 6.151 10.306 ( -10.075 -5.745 0.252) 11.601 10.730 ( 5.768 -6.843 -1.538) 9.081 11.118 ( 12.556 -0.996 0.648) 12.612 11.362 ( -3.527 8.242 -2.885) 9.418 11.822 ( 7.000 2.016 -6.883) 10.022 12.020 ( -6.449 0.181 0.362) 6.461 12.249 ( -7.220 1.128 4.239) 8.449 12.509 ( -15.783 1.805 5.188) 16.712 13.320 ( 0.596 13.879 0.087) 13.892 13.534 ( 7.836 3.304 9.111) 12.463 13.963 ( 3.755 9.928 -8.857) 13.824 14.100 ( 12.728 15.364 7.295) 21.243 14.707 ( 0.805 -5.476 4.497) 7.132 14.916 ( 2.792 8.707 -2.919) 9.598 15.157 ( -2.115 0.350 -1.470) 2.599 15.781 ( 9.543 -10.881 8.043) 16.557 16.105 ( -2.204 -7.783 9.781) 12.693 17.937 ( -3.707 -9.535 -2.130) 10.450 18.395 ( -1.690 -5.124 -1.200) 5.527 18.690 ( 3.314 5.222 3.213) 6.970 19.374 ( -2.531 0.372 0.086) 2.560 19.645 ( -0.102 -1.365 0.511) 1.461 20.154 ( -0.347 2.307 1.522) 2.785 20.256 ( -0.284 -2.947 1.021) 3.132 20.413 ( -7.642 -6.781 -2.364) 10.487 20.862 ( 3.834 12.908 4.004) 14.048 21.099 ( 2.442 5.541 -5.468) 8.159 21.834 ( -1.362 -3.879 -0.625) 4.158 22.651 ( 0.130 20.046 -0.717) 20.059 28.847 ( -4.519 -6.169 -1.842) 7.866 29.353 ( -0.862 -3.251 -0.514) 3.403 29.571 ( 4.450 -6.368 -1.316) 7.879 29.778 ( -4.798 1.043 0.285) 4.918 36.947 ( 16.218 5.477 4.508) 17.702 37.372 ( -5.315 15.456 -0.343) 16.348 37.830 ( 9.546 13.857 0.840) 16.848 38.741 ( 5.087 -2.024 5.718) 7.916 39.111 ( -5.373 9.511 -10.978) 15.487 39.795 ( -5.262 -17.253 2.609) 18.226 40.582 ( -1.464 -24.980 14.017) 28.682 41.678 ( -8.171 -9.056 -22.581) 25.665 ======================= Grid point 145 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -0.000 -10.437 1.414) 10.532 3.925 ( -0.000 -9.521 -17.304) 19.750 4.337 ( 0.000 3.049 0.487) 3.088 4.941 ( -0.000 -24.631 18.402) 30.746 5.466 ( -0.000 -10.589 -13.447) 17.115 5.942 ( -0.000 -4.270 -14.592) 15.204 6.401 ( 0.000 7.723 -1.373) 7.844 6.846 ( 0.000 -0.075 2.317) 2.318 7.080 ( -0.000 -30.244 -9.561) 31.719 7.481 ( -0.000 0.775 -6.679) 6.724 7.521 ( -0.000 -5.064 -3.677) 6.258 8.061 ( -0.000 -9.207 -6.197) 11.098 8.417 ( -0.000 -5.191 2.798) 5.897 8.533 ( -0.000 -5.435 2.338) 5.917 8.754 ( -0.000 -12.061 -14.956) 19.214 9.211 ( 0.000 9.734 1.503) 9.849 9.598 ( -0.000 -7.636 1.927) 7.875 9.926 ( -0.000 -5.354 -2.527) 5.921 9.984 ( -0.000 -16.762 -0.140) 16.763 10.540 ( -0.000 -0.319 -6.275) 6.283 10.564 ( -0.000 -7.176 -3.871) 8.154 10.899 ( 0.000 0.925 4.186) 4.287 11.506 ( -0.000 1.984 -12.782) 12.935 11.686 ( 0.000 9.389 3.412) 9.990 12.057 ( -0.000 -3.017 0.278) 3.030 12.387 ( 0.000 -0.451 5.307) 5.326 12.798 ( 0.000 13.128 5.442) 14.211 13.295 ( 0.000 19.897 5.570) 20.662 13.477 ( -0.000 -7.132 1.087) 7.215 13.797 ( 0.000 8.752 -6.126) 10.683 14.028 ( 0.000 16.131 9.894) 18.924 14.674 ( -0.000 -7.345 -0.214) 7.348 14.861 ( 0.000 12.825 3.468) 13.285 15.179 ( -0.000 3.233 -3.374) 4.673 15.602 ( 0.000 -8.039 13.914) 16.070 16.164 ( 0.000 -12.740 16.420) 20.783 17.991 ( -0.000 -13.035 -2.295) 13.235 18.402 ( -0.000 -4.363 -5.629) 7.122 18.661 ( 0.000 5.625 7.703) 9.538 19.414 ( 0.000 1.587 1.014) 1.883 19.643 ( -0.000 -1.030 -0.458) 1.127 20.151 ( 0.000 4.628 2.233) 5.139 20.261 ( -0.000 -3.146 -0.539) 3.192 20.535 ( -0.000 -6.246 -4.198) 7.526 20.798 ( 0.000 11.928 5.401) 13.094 21.072 ( 0.000 6.441 -5.745) 8.631 21.851 ( -0.000 -4.103 -0.725) 4.166 22.665 ( 0.000 24.935 -2.074) 25.021 28.912 ( -0.000 -4.802 -3.736) 6.085 29.356 ( -0.000 -6.266 -0.690) 6.304 29.508 ( -0.000 -6.199 -0.747) 6.244 29.842 ( 0.000 0.341 -0.064) 0.347 36.733 ( 0.000 4.455 4.341) 6.220 37.497 ( 0.000 9.913 4.014) 10.695 37.643 ( 0.000 19.833 -0.946) 19.855 38.681 ( 0.000 -0.557 2.930) 2.982 39.174 ( 0.000 14.034 -11.221) 17.969 39.871 ( -0.000 -24.095 4.226) 24.463 40.590 ( -0.000 -27.596 14.896) 31.360 41.775 ( -0.000 -9.267 -24.173) 25.888 ======================= Grid point 146 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.297 -11.257 -1.228) 11.794 3.320 ( -24.288 -16.456 -21.931) 36.629 4.442 ( 16.150 -3.240 -6.977) 17.889 4.659 ( 5.378 -33.266 -24.917) 41.909 5.061 ( 1.655 -14.429 -26.520) 30.236 6.068 ( -1.571 -0.833 21.288) 21.362 6.273 ( -11.875 -2.774 -5.566) 13.405 6.624 ( 9.376 -34.121 -10.126) 36.806 7.024 ( -4.655 4.282 9.363) 11.299 7.334 ( -10.327 -3.157 -3.032) 11.217 7.479 ( 10.283 -3.896 -6.115) 12.582 7.892 ( 1.251 -12.455 -7.631) 14.661 8.310 ( -5.833 -5.622 -4.629) 9.330 8.461 ( 2.677 -5.020 -4.016) 6.964 8.647 ( 13.702 -9.131 -1.386) 16.524 9.310 ( -3.053 3.479 5.432) 7.136 9.566 ( -4.786 -5.986 3.723) 8.520 9.840 ( -7.275 -2.632 -1.540) 7.888 9.978 ( 12.077 -9.260 3.762) 15.677 10.404 ( -8.704 3.236 -3.442) 9.903 10.540 ( 9.280 -6.357 -1.416) 11.337 11.018 ( 5.198 4.568 1.529) 7.087 11.330 ( -0.042 3.813 -9.360) 10.107 11.783 ( -0.851 7.594 0.040) 7.642 12.043 ( -0.120 -3.866 2.513) 4.613 12.378 ( -9.303 -3.521 1.663) 10.085 12.937 ( -13.607 16.788 9.850) 23.749 13.274 ( -0.167 -8.257 -8.775) 12.050 13.654 ( 11.214 14.870 7.068) 19.920 13.836 ( 2.205 10.645 -0.747) 10.897 14.261 ( 0.102 13.966 4.094) 14.554 14.670 ( 4.375 -1.882 1.866) 5.115 14.971 ( -0.774 7.619 1.685) 7.842 15.184 ( -1.518 11.646 -1.298) 11.816 15.800 ( 4.067 -4.488 11.129) 12.670 16.307 ( -5.349 -14.362 17.872) 23.543 17.869 ( -0.812 -10.524 -1.098) 10.612 18.297 ( 1.085 -6.014 -4.274) 7.457 18.817 ( -0.809 4.740 7.986) 9.322 19.416 ( -2.956 0.859 0.310) 3.094 19.626 ( 0.851 -0.767 -1.278) 1.716 20.137 ( -0.407 -0.979 -6.644) 6.728 20.241 ( -1.094 -1.862 1.200) 2.471 20.422 ( -3.746 -4.945 -0.791) 6.253 20.893 ( 2.414 15.294 -8.404) 17.617 21.128 ( 1.022 5.332 7.111) 8.947 21.824 ( -0.719 -3.812 0.963) 3.997 22.763 ( -1.856 26.739 -7.473) 27.825 28.801 ( -1.962 -6.979 -3.060) 7.869 29.312 ( 0.998 -3.934 -1.218) 4.237 29.458 ( 2.331 -7.376 -1.375) 7.857 29.837 ( -2.241 1.130 0.760) 2.622 36.910 ( 9.918 6.434 5.846) 13.188 37.564 ( -7.915 13.689 1.530) 15.886 37.832 ( 8.654 14.421 0.937) 16.845 38.767 ( 4.051 -2.916 6.986) 8.586 39.059 ( -3.751 7.230 -10.400) 13.210 39.761 ( -2.716 -15.024 1.392) 15.331 40.570 ( -0.880 -28.052 5.334) 28.569 41.416 ( -0.877 -16.944 -4.971) 17.680 ======================= Grid point 155 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -0.000 -15.388 -4.859) 16.137 2.978 ( -0.000 -24.205 -24.954) 34.765 3.908 ( -0.000 -12.641 -47.462) 49.117 3.991 ( -0.000 -30.331 -16.711) 34.630 4.589 ( -0.000 -23.110 -15.822) 28.008 5.802 ( -0.000 -56.266 -21.550) 60.252 6.330 ( 0.000 4.382 -3.428) 5.563 6.434 ( 0.000 3.863 8.316) 9.170 7.209 ( 0.000 -0.739 7.879) 7.913 7.264 ( -0.000 -6.106 -8.215) 10.236 7.460 ( 0.000 -5.139 7.475) 9.070 7.729 ( -0.000 -5.584 -1.700) 5.837 8.158 ( -0.000 -12.501 -5.509) 13.661 8.366 ( -0.000 -19.715 0.370) 19.718 8.568 ( 0.000 10.428 6.755) 12.424 9.411 ( 0.000 -0.812 2.207) 2.352 9.603 ( -0.000 -9.230 -8.155) 12.317 9.772 ( 0.000 -9.323 9.732) 13.477 9.950 ( 0.000 1.728 -0.428) 1.780 10.410 ( 0.000 0.372 0.416) 0.558 10.524 ( 0.000 6.222 3.606) 7.191 11.059 ( 0.000 4.129 1.578) 4.420 11.224 ( 0.000 9.844 -7.702) 12.499 11.852 ( 0.000 6.957 -0.092) 6.957 12.071 ( 0.000 -2.599 4.186) 4.927 12.434 ( -0.000 -6.043 -0.317) 6.051 12.929 ( -0.000 -16.029 -14.742) 21.778 13.294 ( 0.000 16.692 4.767) 17.359 13.775 ( 0.000 18.491 5.017) 19.159 13.988 ( 0.000 10.174 7.716) 12.769 14.326 ( 0.000 7.695 -4.047) 8.695 14.731 ( 0.000 4.256 6.277) 7.584 15.042 ( 0.000 7.572 1.776) 7.777 15.312 ( 0.000 20.328 0.319) 20.330 15.938 ( 0.000 -2.250 11.547) 11.764 16.539 ( 0.000 -19.502 22.515) 29.787 17.791 ( -0.000 -9.230 0.143) 9.231 18.190 ( -0.000 -6.650 -2.995) 7.293 18.977 ( 0.000 3.105 8.130) 8.702 19.449 ( 0.000 0.864 0.243) 0.898 19.586 ( -0.000 0.281 -2.419) 2.436 19.989 ( -0.000 -4.806 -8.943) 10.153 20.269 ( 0.000 1.031 0.149) 1.041 20.412 ( -0.000 -4.783 1.346) 4.969 20.805 ( 0.000 19.226 -15.562) 24.735 21.291 ( 0.000 4.440 8.761) 9.822 21.823 ( -0.000 -4.928 2.129) 5.368 22.804 ( 0.000 32.570 -16.490) 36.507 28.714 ( -0.000 -6.861 -2.938) 7.464 29.255 ( -0.000 -3.941 -1.249) 4.134 29.373 ( -0.000 -7.234 -1.410) 7.370 29.870 ( 0.000 0.790 0.993) 1.269 36.990 ( 0.000 6.564 6.802) 9.452 37.753 ( 0.000 10.918 2.095) 11.118 37.880 ( 0.000 14.551 2.160) 14.710 38.822 ( 0.000 -5.046 6.751) 8.428 38.978 ( -0.000 4.067 -7.609) 8.627 39.693 ( -0.000 -10.667 -1.235) 10.739 40.376 ( -0.000 -21.143 -7.709) 22.504 41.376 ( -0.000 -34.896 23.994) 42.349 ======================= Grid point 186 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 0.000 -0.000 10.790) 10.790 3.624 ( -0.000 0.000 -5.466) 5.466 3.717 ( 0.000 -0.000 31.720) 31.720 4.421 ( 0.000 -0.000 7.099) 7.099 5.360 ( -0.000 0.000 -10.252) 10.252 5.675 ( 0.000 -0.000 23.469) 23.469 6.593 ( -0.000 0.000 -3.425) 3.425 7.131 ( -0.000 0.000 -8.638) 8.638 7.151 ( 0.000 -0.000 31.006) 31.006 7.427 ( 0.000 -0.000 3.542) 3.542 7.463 ( 0.000 -0.000 9.537) 9.537 7.773 ( 0.000 -0.000 25.753) 25.753 7.962 ( 0.000 -0.000 1.531) 1.531 8.681 ( -0.000 0.000 -9.496) 9.496 8.831 ( 0.000 -0.000 34.045) 34.045 8.952 ( 0.000 -0.000 4.346) 4.346 9.326 ( -0.000 0.000 -12.721) 12.721 9.888 ( 0.000 -0.000 5.755) 5.755 10.104 ( 0.000 -0.000 13.302) 13.302 10.111 ( -0.000 0.000 -0.975) 0.975 10.642 ( 0.000 -0.000 1.203) 1.203 11.278 ( -0.000 0.000 -16.540) 16.540 11.446 ( -0.000 0.000 -11.625) 11.625 11.692 ( 0.000 -0.000 23.507) 23.507 11.968 ( -0.000 0.000 -1.119) 1.119 12.387 ( 0.000 -0.000 6.399) 6.399 13.203 ( -0.000 0.000 -0.018) 0.018 13.275 ( -0.000 0.000 -12.529) 12.529 13.869 ( -0.000 0.000 -1.552) 1.552 13.980 ( -0.000 0.000 -7.883) 7.883 14.333 ( -0.000 0.000 -5.376) 5.376 14.646 ( -0.000 0.000 -2.146) 2.146 14.820 ( -0.000 0.000 -11.446) 11.446 14.927 ( -0.000 0.000 -10.923) 10.923 15.465 ( -0.000 0.000 -11.001) 11.001 15.919 ( -0.000 0.000 -4.713) 4.713 17.266 ( -0.000 0.000 -0.525) 0.525 18.258 ( 0.000 -0.000 4.836) 4.836 18.403 ( -0.000 0.000 -8.333) 8.333 19.506 ( -0.000 0.000 -0.900) 0.900 19.562 ( -0.000 0.000 -2.718) 2.718 20.269 ( -0.000 0.000 -0.394) 0.394 20.464 ( 0.000 -0.000 2.601) 2.601 20.464 ( 0.000 -0.000 9.018) 9.018 21.093 ( -0.000 0.000 -6.189) 6.189 21.297 ( 0.000 -0.000 3.697) 3.697 21.676 ( -0.000 0.000 -2.508) 2.508 23.753 ( -0.000 0.000 -17.567) 17.567 28.650 ( 0.000 -0.000 2.639) 2.639 29.295 ( 0.000 -0.000 3.380) 3.380 29.454 ( 0.000 -0.000 5.449) 5.449 29.965 ( 0.000 -0.000 1.191) 1.191 36.862 ( -0.000 0.000 -7.010) 7.010 37.168 ( -0.000 0.000 -5.950) 5.950 37.899 ( -0.000 0.000 -13.900) 13.900 38.646 ( 0.000 -0.000 11.544) 11.544 38.916 ( -0.000 0.000 -1.436) 1.436 39.356 ( -0.000 0.000 -0.415) 0.415 40.593 ( 0.000 -0.000 19.307) 19.307 41.878 ( 0.000 -0.000 29.082) 29.082 ======================= Grid point 187 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 6.671 3.852 -19.829) 21.273 3.584 ( -8.727 -5.039 8.827) 13.397 4.121 ( -8.018 -4.629 20.349) 22.357 4.464 ( 2.257 1.303 0.897) 2.756 5.341 ( -2.674 -1.544 9.515) 10.003 6.110 ( 11.453 6.613 19.384) 23.466 6.484 ( -1.098 -0.634 -6.923) 7.038 6.865 ( -13.910 -8.031 -8.930) 18.377 7.098 ( -14.632 -8.448 -0.544) 16.904 7.576 ( -1.944 -1.122 7.155) 7.498 7.795 ( 11.978 6.916 13.167) 19.096 7.999 ( 5.798 3.348 0.747) 6.737 8.370 ( 12.430 7.177 14.926) 20.708 8.534 ( -1.962 -1.133 -0.217) 2.276 9.035 ( -2.295 -1.325 13.412) 13.671 9.237 ( 10.927 6.309 -4.595) 13.428 9.417 ( -0.027 -0.016 33.278) 33.278 9.894 ( -9.429 -5.444 7.126) 13.012 10.116 ( -0.822 -0.475 2.106) 2.310 10.313 ( 1.230 0.710 7.046) 7.188 10.738 ( 0.122 0.070 9.182) 9.183 10.960 ( -3.100 -1.790 -14.695) 15.125 11.315 ( 2.574 1.486 -8.305) 8.821 11.948 ( -1.256 -0.725 0.195) 1.463 12.090 ( 7.182 4.147 14.490) 16.696 12.468 ( -7.213 -4.164 13.175) 15.587 12.871 ( -18.113 -10.458 -11.790) 24.009 13.258 ( 7.840 4.527 -8.132) 12.169 13.732 ( -7.416 -4.281 -12.999) 15.566 13.879 ( 3.718 2.146 -5.369) 6.874 14.281 ( 2.701 1.559 -9.927) 10.406 14.564 ( -3.646 -2.105 -4.355) 6.057 14.701 ( 4.817 2.781 -11.532) 12.804 14.832 ( 10.326 5.962 -2.644) 12.213 15.317 ( -9.040 -5.219 2.426) 10.717 15.874 ( 6.586 3.803 -4.971) 9.086 17.361 ( 8.407 4.854 2.429) 10.007 18.296 ( -0.688 -0.397 -3.813) 3.895 18.357 ( 4.762 2.750 1.676) 5.749 19.476 ( -1.626 -0.939 -1.013) 2.133 19.505 ( -0.255 -0.147 -4.662) 4.672 20.245 ( -2.484 -1.434 -0.191) 2.875 20.483 ( -3.186 -1.839 3.056) 4.782 20.531 ( -4.752 -2.743 3.062) 6.284 21.018 ( 1.881 1.086 -4.378) 4.887 21.373 ( -0.004 -0.002 6.166) 6.166 21.638 ( 1.280 0.739 -3.471) 3.773 23.395 ( -8.805 -5.084 -17.768) 20.472 28.701 ( 0.857 0.495 2.671) 2.848 29.361 ( 1.297 0.749 3.437) 3.749 29.539 ( -0.036 -0.021 5.662) 5.662 29.960 ( -2.987 -1.725 1.183) 3.646 36.781 ( 3.667 2.117 -6.217) 7.522 37.126 ( 5.872 3.390 -6.845) 9.635 37.706 ( 2.924 1.688 -13.995) 14.397 38.758 ( -1.827 -1.055 4.629) 5.087 38.928 ( 5.089 2.938 -2.631) 6.438 39.409 ( -0.944 -0.545 8.110) 8.183 40.820 ( -6.750 -3.897 16.574) 18.315 42.310 ( 1.892 1.092 24.446) 24.544 ======================= Grid point 188 (60/85) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -0.315 -0.182 -13.128) 13.133 3.525 ( -8.946 -5.165 1.122) 10.391 4.041 ( -19.812 -11.439 6.193) 23.701 4.536 ( -2.356 -1.360 1.219) 2.981 5.489 ( -6.081 -3.511 15.281) 16.817 6.237 ( -23.146 -13.363 0.323) 26.728 6.541 ( 4.399 2.540 -2.773) 5.787 6.655 ( 9.288 5.363 7.836) 13.283 6.940 ( 1.616 0.933 -2.347) 2.999 7.590 ( -1.498 -0.865 -1.564) 2.332 7.958 ( -5.167 -2.983 2.618) 6.516 8.177 ( 11.111 6.415 3.757) 13.369 8.486 ( 9.943 5.740 -2.769) 11.810 8.706 ( -3.021 -1.744 11.415) 11.936 9.120 ( -2.905 -1.677 1.229) 3.573 9.612 ( 16.292 9.406 13.751) 23.303 9.686 ( -18.932 -10.930 17.714) 28.137 9.970 ( -5.794 -3.345 8.867) 11.108 10.059 ( -6.274 -3.622 8.578) 11.227 10.354 ( 1.101 0.636 -4.133) 4.324 10.689 ( -6.982 -4.031 4.249) 9.113 11.006 ( 6.621 3.822 4.186) 8.716 11.294 ( 7.025 4.056 -2.485) 8.483 11.840 ( -13.110 -7.569 -5.596) 16.140 12.242 ( -0.308 -0.178 0.253) 0.436 12.436 ( -8.950 -5.167 0.161) 10.336 12.716 ( -3.069 -1.772 17.494) 17.849 13.016 ( -11.737 -6.777 -20.673) 24.719 13.529 ( 4.397 2.538 -6.799) 8.486 13.804 ( 4.753 2.744 -10.630) 11.964 14.140 ( 3.354 1.936 -9.779) 10.518 14.403 ( 8.443 4.875 -16.737) 19.370 14.800 ( 7.587 4.380 3.102) 9.294 14.987 ( 0.979 0.565 5.587) 5.700 15.316 ( 2.086 1.204 8.518) 8.852 16.023 ( 15.819 9.133 1.758) 18.350 17.565 ( 9.859 5.692 4.399) 12.204 18.218 ( -2.285 -1.319 -2.616) 3.715 18.501 ( 8.824 5.095 2.329) 10.452 19.392 ( -1.804 -1.042 -6.698) 7.015 19.448 ( -1.778 -1.027 0.069) 2.055 20.183 ( -5.055 -2.919 -0.104) 5.838 20.386 ( -9.929 -5.733 -1.339) 11.543 20.493 ( -4.414 -2.548 2.700) 5.768 20.992 ( 1.823 1.052 -4.494) 4.962 21.467 ( -0.182 -0.105 4.032) 4.038 21.634 ( 3.187 1.840 0.283) 3.691 22.971 ( -10.517 -6.072 -16.256) 20.291 28.748 ( -0.138 -0.080 2.486) 2.491 29.421 ( -0.566 -0.327 2.959) 3.030 29.636 ( 1.791 1.034 5.150) 5.550 29.905 ( -5.794 -3.345 0.827) 6.742 36.798 ( 8.943 5.163 -4.619) 11.313 37.127 ( 7.750 4.475 -7.182) 11.475 37.567 ( 6.127 3.538 -13.192) 14.970 38.764 ( -0.243 -0.140 -0.658) 0.715 38.965 ( 6.303 3.639 -4.865) 8.755 39.556 ( -4.592 -2.651 15.750) 16.619 40.882 ( -12.668 -7.314 11.531) 18.627 42.678 ( 3.524 2.034 17.040) 17.519 ======================= Grid point 189 (61/85) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -12.889 -7.441 7.912) 16.855 3.350 ( -11.217 -6.476 -2.174) 13.133 3.801 ( -16.114 -9.304 -0.237) 18.609 4.384 ( -17.570 -10.144 2.712) 20.468 5.517 ( -18.987 -10.962 10.609) 24.356 5.842 ( -17.617 -10.171 -1.229) 20.380 6.560 ( 7.027 4.057 -4.873) 9.465 6.844 ( 0.881 0.509 6.832) 6.907 7.198 ( 14.778 8.532 9.962) 19.759 7.517 ( 1.492 0.862 -6.359) 6.588 7.888 ( -8.030 -4.636 4.051) 10.119 8.314 ( -12.068 -6.967 1.450) 14.010 8.503 ( -0.726 -0.419 -1.017) 1.318 8.874 ( -1.021 -0.589 7.377) 7.470 8.996 ( 4.528 2.614 -6.614) 8.431 9.459 ( -23.241 -13.418 -0.904) 26.851 9.790 ( -18.439 -10.646 10.279) 23.643 9.893 ( -4.370 -2.523 1.811) 5.361 10.257 ( 10.741 6.202 6.387) 13.951 10.404 ( 1.897 1.095 4.772) 5.250 10.650 ( -9.058 -5.229 4.390) 11.343 11.180 ( 7.480 4.318 3.592) 9.354 11.381 ( -4.540 -2.621 -13.151) 14.157 11.462 ( -4.384 -2.531 2.876) 5.822 12.111 ( -20.395 -11.775 -11.561) 26.235 12.345 ( 5.082 2.934 6.423) 8.700 12.736 ( 6.032 3.482 -2.109) 7.277 12.938 ( 3.112 1.797 7.015) 7.882 13.428 ( -0.936 -0.540 -9.050) 9.114 13.846 ( 8.555 4.939 -0.034) 9.879 14.102 ( 6.986 4.033 -7.182) 10.801 14.357 ( 13.059 7.540 -10.234) 18.224 14.910 ( 6.006 3.467 -3.981) 7.996 15.012 ( -2.912 -1.681 3.077) 4.558 15.631 ( 10.807 6.239 13.702) 18.532 16.413 ( 22.810 13.170 6.937) 27.237 17.798 ( 9.128 5.270 5.993) 12.125 18.154 ( -4.017 -2.319 1.049) 4.756 18.694 ( 11.727 6.771 0.829) 13.567 19.252 ( -2.911 -1.680 -5.088) 6.097 19.435 ( -1.088 -0.628 1.168) 1.715 20.086 ( -7.335 -4.235 0.758) 8.504 20.195 ( -10.198 -5.888 -1.569) 11.880 20.451 ( -5.046 -2.914 1.496) 6.016 20.912 ( -1.700 -0.981 -6.091) 6.400 21.463 ( 0.890 0.514 -3.521) 3.668 21.767 ( 3.904 2.254 7.767) 8.981 22.576 ( -9.234 -5.331 -14.257) 17.803 28.771 ( -1.610 -0.930 2.349) 2.996 29.426 ( -3.810 -2.199 2.291) 4.960 29.739 ( 0.622 0.359 3.351) 3.427 29.809 ( -5.584 -3.224 0.330) 6.456 36.910 ( 11.723 6.768 -3.438) 13.966 37.158 ( 9.572 5.526 -5.763) 12.465 37.504 ( 9.799 5.658 -10.926) 15.729 38.747 ( 1.276 0.737 -2.232) 2.675 38.979 ( 6.225 3.594 -6.120) 9.440 39.724 ( -8.417 -4.859 18.743) 21.113 40.783 ( -16.582 -9.573 6.372) 20.179 42.920 ( 4.446 2.567 4.736) 6.985 ======================= Grid point 190 (62/85) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -20.535 -11.856 30.722) 38.808 3.131 ( -16.309 -9.416 3.225) 19.106 3.453 ( -19.324 -11.157 -8.812) 23.991 4.201 ( -19.024 -10.983 14.012) 26.055 5.189 ( -33.970 -19.613 8.140) 40.061 5.772 ( 4.269 2.465 1.695) 5.212 6.563 ( 2.403 1.387 -3.778) 4.687 6.994 ( 1.082 0.625 9.195) 9.280 7.462 ( 0.977 0.564 -3.668) 3.837 7.529 ( 9.222 5.324 5.827) 12.138 7.659 ( -60.396 -34.869 1.125) 69.748 7.835 ( -5.934 -3.426 3.273) 7.593 8.578 ( 6.014 3.472 -2.063) 7.245 8.700 ( -3.634 -2.098 -10.342) 11.161 8.947 ( -25.950 -14.982 -7.240) 30.827 9.299 ( 17.625 10.176 0.577) 20.360 9.719 ( -7.968 -4.600 5.917) 10.939 9.788 ( -11.871 -6.854 5.984) 14.957 10.310 ( -12.102 -6.987 0.791) 13.996 10.518 ( -1.143 -0.660 0.201) 1.335 10.625 ( 9.012 5.203 1.232) 10.479 10.942 ( -9.736 -5.621 -14.657) 18.472 11.295 ( -8.907 -5.142 -4.681) 11.300 11.482 ( 9.568 5.524 3.137) 11.485 11.942 ( 3.982 2.299 4.703) 6.577 12.497 ( -0.454 -0.262 6.208) 6.230 12.867 ( 3.324 1.919 3.486) 5.185 13.055 ( 9.512 5.492 -3.385) 11.493 13.349 ( 2.375 1.371 1.015) 2.924 13.957 ( 7.904 4.563 -3.932) 9.937 14.118 ( 7.964 4.598 -5.786) 10.865 14.517 ( 12.663 7.311 2.798) 14.887 14.902 ( 6.053 3.495 -7.417) 10.192 15.024 ( 1.702 0.982 -0.419) 2.009 15.958 ( 7.435 4.292 7.401) 11.335 16.853 ( 21.610 12.476 -0.537) 24.958 18.033 ( 7.154 4.130 6.096) 10.266 18.106 ( -6.184 -3.571 2.097) 7.443 18.872 ( 11.364 6.561 -2.451) 13.349 19.223 ( 1.530 0.883 6.065) 6.317 19.450 ( 0.093 0.054 1.865) 1.868 20.004 ( -7.148 -4.127 5.677) 10.018 20.036 ( -8.421 -4.862 0.742) 9.752 20.387 ( -3.990 -2.304 0.087) 4.608 20.755 ( -5.187 -2.995 -6.823) 9.079 21.417 ( 2.491 1.438 -5.821) 6.492 21.969 ( 4.836 2.792 9.400) 10.934 22.242 ( -7.843 -4.528 -11.184) 14.391 28.771 ( -2.971 -1.715 2.457) 4.220 29.380 ( -5.420 -3.129 1.597) 6.459 29.641 ( -9.998 -5.772 0.093) 11.545 29.844 ( 2.799 1.616 0.734) 3.314 37.001 ( 7.935 4.582 -5.985) 10.945 37.300 ( 15.147 8.745 -1.175) 17.529 37.550 ( 13.330 7.696 -6.856) 16.850 38.747 ( 2.659 1.535 -1.418) 3.382 38.975 ( 5.167 2.983 -6.189) 8.597 39.846 ( -12.079 -6.974 17.411) 22.308 40.583 ( -17.377 -10.033 4.431) 20.549 42.894 ( 0.063 0.037 -15.802) 15.803 ======================= Grid point 191 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -25.031 -14.452 -0.919) 28.918 3.019 ( -22.165 -12.797 15.315) 29.826 3.284 ( -11.942 -6.895 40.239) 42.537 4.157 ( -20.251 -11.692 17.210) 29.035 4.805 ( -29.751 -17.177 9.563) 35.660 5.948 ( 6.701 3.869 7.455) 10.745 6.537 ( -0.322 -0.186 -3.004) 3.027 6.666 ( -64.228 -37.082 6.743) 74.470 7.133 ( 0.078 0.045 7.878) 7.879 7.390 ( -1.370 -0.791 -6.590) 6.777 7.636 ( -1.862 -1.075 -1.566) 2.660 7.788 ( -3.187 -1.840 -0.472) 3.710 8.362 ( -17.442 -10.070 -5.371) 20.845 8.574 ( 2.861 1.652 -6.925) 7.672 8.611 ( -8.565 -4.945 -3.267) 10.416 9.446 ( 3.518 2.031 -2.198) 4.618 9.617 ( -11.459 -6.616 5.777) 14.438 9.861 ( 4.701 2.714 4.711) 7.188 10.063 ( -14.007 -8.087 -3.320) 16.511 10.435 ( -0.980 -0.566 -3.654) 3.825 10.614 ( -3.043 -1.757 -11.128) 11.669 10.873 ( 12.241 7.067 4.076) 14.710 11.154 ( -3.941 -2.275 0.724) 4.608 11.706 ( 9.640 5.566 2.865) 11.494 12.079 ( 3.736 2.157 1.575) 4.593 12.504 ( -5.200 -3.002 1.670) 6.233 12.927 ( -5.154 -2.975 7.096) 9.261 13.145 ( 4.538 2.620 2.437) 5.779 13.540 ( 18.481 10.670 -1.992) 21.433 13.982 ( 8.385 4.841 -8.571) 12.931 14.190 ( 6.349 3.666 0.232) 7.335 14.725 ( 5.921 3.418 -0.077) 6.837 14.939 ( 9.909 5.721 -2.691) 11.754 15.080 ( 9.999 5.773 -1.927) 11.705 16.062 ( 1.923 1.110 -3.450) 4.103 16.962 ( 5.103 2.946 -15.465) 16.549 17.951 ( -10.196 -5.887 -1.952) 11.934 18.191 ( 0.586 0.338 3.707) 3.768 18.980 ( 8.582 4.955 -4.574) 10.915 19.410 ( 3.436 1.984 4.053) 5.671 19.513 ( 2.075 1.198 4.511) 5.107 19.962 ( -6.280 -3.626 5.033) 8.827 20.154 ( 3.586 2.070 17.677) 18.155 20.363 ( 2.580 1.489 3.192) 4.366 20.560 ( -6.446 -3.721 -5.320) 9.149 21.361 ( 3.444 1.988 -7.629) 8.604 21.975 ( -6.251 -3.609 -6.751) 9.883 22.263 ( 10.837 6.257 13.059) 18.086 28.753 ( -4.436 -2.561 2.787) 5.832 29.312 ( -5.357 -3.093 1.029) 6.270 29.485 ( -9.172 -5.295 0.210) 10.593 29.874 ( 1.259 0.727 -0.924) 1.723 37.005 ( 5.932 3.425 -6.937) 9.749 37.547 ( 15.584 8.997 -0.163) 17.995 37.707 ( 14.781 8.534 -3.002) 17.330 38.807 ( 4.165 2.405 2.740) 5.536 38.944 ( 2.653 1.532 -6.365) 7.064 39.838 ( -14.965 -8.640 8.633) 19.316 40.432 ( -14.635 -8.450 10.666) 19.984 42.352 ( -17.017 -9.825 -37.530) 42.362 ======================= Grid point 196 (64/85) ======================= q-point: ( 0.33 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -0.000 7.348 -12.396) 14.410 3.643 ( -0.000 -20.242 4.842) 20.813 4.322 ( -0.000 -5.997 -5.211) 7.945 4.556 ( 0.000 7.965 14.083) 16.180 5.593 ( 0.000 -0.644 19.092) 19.103 6.349 ( 0.000 7.263 -1.349) 7.387 6.395 ( 0.000 11.335 6.311) 12.974 6.696 ( -0.000 -7.790 -9.399) 12.208 7.137 ( -0.000 -20.855 0.441) 20.859 7.607 ( -0.000 -0.247 -4.346) 4.353 7.900 ( 0.000 15.424 5.969) 16.538 8.022 ( 0.000 1.275 2.628) 2.921 8.416 ( 0.000 -0.444 1.761) 1.816 8.664 ( 0.000 11.627 1.325) 11.703 9.167 ( 0.000 -4.966 11.815) 12.817 9.338 ( 0.000 5.601 16.952) 17.853 9.959 ( 0.000 -8.184 18.751) 20.459 10.026 ( 0.000 -0.807 20.210) 20.226 10.104 ( -0.000 -3.639 2.413) 4.366 10.417 ( -0.000 -5.620 0.895) 5.691 10.744 ( -0.000 2.679 -8.279) 8.701 10.944 ( 0.000 3.941 14.053) 14.596 11.196 ( -0.000 8.174 -9.755) 12.727 11.996 ( 0.000 -2.692 5.889) 6.475 12.223 ( 0.000 -0.337 5.423) 5.434 12.680 ( -0.000 -8.995 3.195) 9.545 12.747 ( -0.000 -14.176 -5.007) 15.034 13.143 ( 0.000 8.429 1.476) 8.557 13.525 ( -0.000 -0.797 -15.963) 15.983 13.698 ( -0.000 -6.734 -12.458) 14.162 14.107 ( -0.000 5.853 -15.388) 16.464 14.264 ( -0.000 3.216 -25.032) 25.237 14.706 ( 0.000 -1.657 9.619) 9.760 14.936 ( 0.000 8.159 12.426) 14.865 15.414 ( 0.000 -5.349 5.502) 7.673 15.708 ( -0.000 -1.846 -5.704) 5.995 17.448 ( 0.000 13.827 5.277) 14.800 18.243 ( -0.000 2.962 -3.006) 4.220 18.397 ( 0.000 2.228 3.097) 3.815 19.413 ( -0.000 -0.856 -5.883) 5.945 19.473 ( -0.000 -0.241 -1.120) 1.145 20.246 ( -0.000 -3.421 0.413) 3.446 20.532 ( -0.000 -4.035 2.327) 4.657 20.557 ( -0.000 -3.930 -0.684) 3.989 20.938 ( -0.000 -0.112 -3.821) 3.823 21.464 ( 0.000 -2.900 4.696) 5.519 21.601 ( 0.000 5.934 -1.141) 6.042 23.108 ( -0.000 -7.905 -18.980) 20.561 28.752 ( 0.000 3.009 2.524) 3.927 29.416 ( 0.000 0.924 3.796) 3.907 29.622 ( 0.000 -1.248 5.408) 5.550 29.981 ( -0.000 -3.141 1.255) 3.382 36.669 ( -0.000 -0.563 -4.682) 4.716 37.033 ( 0.000 8.653 -7.064) 11.171 37.491 ( -0.000 2.130 -12.997) 13.170 38.763 ( -0.000 -1.380 -2.307) 2.688 38.892 ( 0.000 9.182 -4.590) 10.265 39.618 ( 0.000 -2.930 17.806) 18.046 41.042 ( 0.000 -10.247 12.811) 16.405 42.630 ( 0.000 3.462 15.933) 16.305 ======================= Grid point 198 (65/85) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 0.041 3.606 7.808) 8.601 3.506 ( -3.254 -25.773 2.386) 26.087 4.118 ( -7.965 -5.275 -7.433) 12.105 4.722 ( -8.489 6.846 5.375) 12.158 5.785 ( -8.385 -3.364 10.415) 13.787 6.306 ( -0.440 1.266 -3.243) 3.509 6.451 ( -4.686 -0.287 -3.956) 6.140 6.803 ( 7.083 9.244 13.921) 18.149 6.959 ( -6.493 -3.678 0.280) 7.468 7.505 ( 0.658 0.419 -7.878) 7.916 8.056 ( -2.910 -3.894 5.300) 7.192 8.128 ( 9.979 6.882 3.294) 12.562 8.449 ( -0.723 8.496 -0.670) 8.553 8.728 ( 7.988 4.860 -4.838) 10.528 9.292 ( -9.351 -13.415 15.268) 22.373 9.685 ( 12.872 -2.080 8.801) 15.731 9.903 ( -8.480 -11.305 0.988) 14.166 10.029 ( -7.753 -5.583 2.148) 9.793 10.244 ( -5.284 4.375 -2.091) 7.172 10.527 ( -2.970 -1.345 23.818) 24.040 10.803 ( -0.806 5.401 4.995) 7.401 11.066 ( -1.180 4.524 -1.329) 4.860 11.225 ( 6.355 3.397 4.342) 8.413 11.938 ( -21.458 -13.313 -0.457) 25.257 12.228 ( 1.438 -2.985 0.752) 3.398 12.427 ( 2.334 -5.027 -6.787) 8.763 12.728 ( -3.195 -8.889 -5.102) 10.735 13.080 ( -16.859 8.670 -4.858) 19.570 13.359 ( 1.972 -5.445 -6.877) 8.990 13.604 ( 13.172 -1.102 0.694) 13.236 13.911 ( 11.524 2.439 -14.161) 18.420 14.055 ( 5.872 11.239 -16.490) 20.802 14.849 ( -0.237 -0.124 6.596) 6.601 15.170 ( -5.465 2.298 10.040) 11.660 15.431 ( 1.553 -1.408 9.211) 9.447 15.824 ( 21.793 -0.597 1.985) 21.892 17.663 ( 2.415 15.839 6.411) 17.257 18.235 ( -2.224 1.729 1.302) 3.104 18.486 ( 4.911 5.453 1.331) 7.458 19.307 ( -1.342 -1.028 -5.564) 5.815 19.456 ( -0.463 0.323 -0.390) 0.686 20.210 ( -2.776 -5.947 1.406) 6.712 20.412 ( -6.640 -6.144 -3.952) 9.872 20.552 ( -2.197 -3.417 2.358) 4.697 20.893 ( 1.999 -0.965 -4.254) 4.798 21.440 ( 0.739 -2.079 -4.087) 4.644 21.715 ( 0.788 7.152 7.015) 10.049 22.742 ( -3.902 -7.889 -17.317) 19.426 28.806 ( -1.023 3.562 2.085) 4.253 29.478 ( -0.584 0.022 3.579) 3.627 29.690 ( 1.100 -2.089 4.323) 4.926 29.952 ( -3.639 -4.121 0.989) 5.586 36.653 ( 7.081 0.986 -2.924) 7.724 37.009 ( 2.895 10.224 -6.962) 12.703 37.345 ( 3.512 3.874 -11.006) 12.185 38.714 ( 1.040 0.557 -3.938) 4.111 38.889 ( 1.578 10.806 -6.078) 12.499 39.875 ( -3.517 -5.922 21.348) 22.431 41.072 ( -6.657 -14.789 7.711) 17.958 42.835 ( 2.164 3.702 5.164) 6.712 ======================= Grid point 199 (66/85) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -7.050 -10.234 25.327) 28.212 3.352 ( -3.369 -18.675 7.069) 20.250 3.856 ( -13.519 -4.571 -5.844) 15.421 4.642 ( -15.385 4.689 0.300) 16.086 5.743 ( -5.633 -1.716 2.065) 6.240 6.046 ( -28.750 -12.954 2.957) 31.672 6.475 ( 4.206 5.676 -1.284) 7.180 7.007 ( -0.469 9.423 5.999) 11.180 7.097 ( 12.844 5.563 -3.731) 14.486 7.493 ( 3.228 1.618 6.305) 7.266 8.032 ( -8.686 -3.146 3.854) 10.010 8.304 ( 6.519 -0.263 0.520) 6.545 8.471 ( 1.424 6.880 -4.729) 8.470 8.817 ( 12.666 4.735 -3.394) 13.942 9.165 ( -18.104 -23.616 7.540) 30.698 9.423 ( -20.731 -20.739 -8.099) 30.421 9.880 ( -5.067 -6.730 0.452) 8.436 10.073 ( -0.434 -1.603 8.140) 8.308 10.296 ( 2.798 10.433 4.111) 11.557 10.640 ( -14.862 -0.720 7.314) 16.580 10.774 ( -9.860 -3.953 -0.674) 10.644 11.168 ( 5.867 0.734 2.722) 6.509 11.280 ( -6.448 -4.628 -4.005) 8.890 11.571 ( -11.574 -0.657 1.485) 11.687 12.084 ( -17.636 -2.221 -12.958) 21.997 12.376 ( 9.688 -4.956 6.050) 12.451 12.606 ( 6.822 -0.556 -2.331) 7.231 12.990 ( -2.066 8.918 -5.536) 10.698 13.318 ( 5.866 1.327 -1.550) 6.210 13.697 ( 14.231 -8.246 -4.706) 17.107 13.973 ( 2.898 11.387 -8.297) 14.384 14.129 ( 18.798 4.468 6.341) 20.336 14.871 ( -2.942 4.075 -1.729) 5.315 15.148 ( -10.503 0.617 3.371) 11.048 15.739 ( 10.801 0.147 13.540) 17.321 16.181 ( 30.034 -1.815 3.062) 30.244 17.899 ( 2.939 12.976 6.570) 14.839 18.249 ( -4.914 0.283 4.411) 6.610 18.617 ( 8.760 7.208 -1.309) 11.420 19.227 ( -1.129 0.007 -0.598) 1.277 19.460 ( -0.271 1.650 0.668) 1.801 20.153 ( -4.792 -7.916 3.742) 9.981 20.227 ( -7.050 -4.246 -3.525) 8.953 20.514 ( -4.928 -2.806 1.070) 5.771 20.818 ( -0.519 -2.587 -5.165) 5.800 21.362 ( 1.817 -0.099 -6.696) 6.939 21.894 ( 1.676 7.097 7.519) 10.475 22.395 ( -4.722 -6.589 -13.908) 16.098 28.837 ( -2.411 2.665 1.817) 4.027 29.494 ( -3.687 -2.570 2.848) 5.320 29.756 ( 2.978 -2.391 2.562) 4.598 29.868 ( -6.906 -3.963 0.249) 7.966 36.752 ( 12.166 2.969 -1.737) 12.643 37.024 ( 5.454 9.068 -6.082) 12.206 37.306 ( 7.575 8.603 -7.463) 13.678 38.682 ( 2.313 1.481 -3.575) 4.508 38.891 ( 2.029 11.468 -6.464) 13.320 40.091 ( -7.633 -9.536 21.608) 24.822 40.938 ( -11.259 -16.793 4.049) 20.620 42.862 ( 1.878 1.778 -8.521) 8.905 ======================= Grid point 200 (67/85) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -6.673 -26.438 11.726) 29.682 3.474 ( -18.957 -11.613 1.990) 22.320 3.637 ( -14.267 0.239 30.146) 33.353 4.536 ( -11.669 5.177 4.726) 13.612 5.625 ( -33.333 -14.851 7.647) 37.285 5.790 ( 1.121 2.943 4.331) 5.355 6.515 ( 1.485 5.065 -3.083) 6.113 7.098 ( 8.856 3.276 -8.180) 12.493 7.170 ( 4.894 9.166 -3.919) 11.105 7.678 ( 0.042 -4.941 9.302) 10.533 7.892 ( -16.884 -8.336 -0.663) 18.841 8.190 ( -22.898 -6.487 2.247) 23.905 8.465 ( 3.228 -5.389 -3.132) 7.019 8.663 ( -20.096 -18.780 -0.716) 27.514 8.940 ( -11.730 -10.450 -6.156) 16.872 9.163 ( 12.457 6.803 1.485) 14.271 9.740 ( -3.945 -8.827 -2.865) 10.084 10.054 ( -13.025 -0.305 2.683) 13.302 10.448 ( -4.079 -5.972 -5.862) 9.309 10.463 ( -8.343 -4.982 4.465) 10.694 10.681 ( -1.898 6.817 3.779) 8.023 10.896 ( -17.164 -5.142 -6.129) 18.937 11.316 ( -3.680 -2.607 -1.352) 4.708 11.497 ( -1.577 9.088 2.774) 9.632 11.973 ( 3.849 3.333 2.756) 5.790 12.477 ( 7.755 -11.471 -0.581) 13.859 12.730 ( 13.956 2.057 -2.023) 14.251 12.999 ( 5.807 13.441 -3.158) 14.978 13.404 ( 2.847 3.010 2.843) 5.025 13.743 ( 11.180 -3.835 -4.564) 12.670 14.003 ( 8.526 7.513 -4.417) 12.192 14.482 ( 12.173 1.075 9.863) 15.704 14.838 ( -1.328 8.712 -2.860) 9.266 15.068 ( -8.000 1.137 0.176) 8.083 15.982 ( 5.130 -0.823 4.408) 6.814 16.534 ( 28.136 -3.687 -2.941) 28.529 18.096 ( 1.465 4.558 5.773) 7.500 18.217 ( -7.576 -1.339 1.817) 7.905 18.739 ( 10.295 5.601 -3.545) 12.244 19.299 ( 3.574 1.488 5.688) 6.881 19.500 ( 0.031 4.382 2.653) 5.123 20.084 ( -4.418 -3.877 0.246) 5.884 20.163 ( -3.220 -4.033 9.104) 10.465 20.440 ( -5.816 -0.293 -0.354) 5.834 20.689 ( -3.932 -4.055 -4.740) 7.374 21.279 ( 3.126 1.518 -8.480) 9.164 22.063 ( 0.970 4.138 -0.185) 4.254 22.143 ( -1.639 -1.477 -2.120) 3.059 28.844 ( -3.303 0.888 2.019) 3.972 29.449 ( -5.580 -4.451 1.989) 7.410 29.720 ( -8.875 -5.577 0.174) 10.483 29.822 ( 2.520 -0.504 -0.048) 2.571 36.877 ( 7.084 7.360 -3.769) 10.888 37.106 ( 15.061 2.902 -2.778) 15.587 37.422 ( 10.688 15.426 -2.991) 19.004 38.692 ( 4.303 1.881 -1.059) 4.814 38.892 ( 1.673 10.940 -6.452) 12.811 40.189 ( -12.980 -14.559 15.473) 24.897 40.758 ( -11.786 -15.295 7.749) 20.806 42.598 ( -5.068 -2.826 -23.970) 24.662 ======================= Grid point 201 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -25.226 -8.561 -4.367) 26.995 3.249 ( -4.263 -28.217 15.711) 32.576 4.102 ( -10.321 2.265 40.156) 41.523 4.568 ( -13.026 3.108 13.599) 19.086 5.246 ( -34.907 -13.126 10.088) 38.633 5.995 ( 10.810 0.137 9.062) 14.107 6.437 ( -1.762 2.492 -12.410) 12.780 7.067 ( 1.225 -0.007 -8.997) 9.080 7.106 ( -7.182 -3.435 -9.910) 12.712 7.432 ( -26.800 -9.888 3.601) 28.792 7.623 ( -13.402 -15.979 1.641) 20.919 7.968 ( -16.254 -3.284 6.453) 17.794 8.343 ( -0.885 -16.722 1.828) 16.845 8.474 ( -6.847 0.015 2.739) 7.375 8.777 ( -10.891 4.144 -1.081) 11.703 9.313 ( 9.430 5.634 -7.083) 13.071 9.657 ( 3.276 -6.585 -0.587) 7.379 9.899 ( -8.618 -6.899 -0.052) 11.039 10.192 ( -12.014 -0.602 -5.720) 13.320 10.390 ( -5.561 -7.011 3.011) 9.442 10.636 ( -12.956 2.574 -1.191) 13.263 10.882 ( 5.781 8.819 5.464) 11.877 11.241 ( -4.603 -0.737 2.943) 5.513 11.653 ( 8.158 4.481 1.857) 9.491 12.069 ( 2.590 2.461 -0.161) 3.576 12.442 ( 4.105 -11.321 -1.796) 12.175 12.839 ( 15.589 0.984 -6.150) 16.787 13.183 ( 8.231 4.377 3.201) 9.857 13.517 ( 1.631 8.664 3.735) 9.575 13.762 ( 7.793 3.370 -6.583) 10.744 14.126 ( 10.930 4.899 -1.447) 12.064 14.666 ( 2.553 3.652 0.849) 4.536 14.920 ( 5.018 5.000 0.271) 7.089 15.016 ( 0.487 4.469 0.948) 4.594 15.983 ( -1.819 -1.214 -5.133) 5.579 16.624 ( 11.014 -7.277 -12.743) 18.348 18.020 ( -10.331 -7.382 -0.120) 12.698 18.266 ( -0.996 1.858 5.305) 5.709 18.819 ( 9.336 3.514 -5.823) 11.551 19.396 ( 3.234 -1.682 1.125) 3.815 19.591 ( -0.234 2.903 3.473) 4.533 20.067 ( -1.531 -0.553 3.944) 4.267 20.287 ( -2.731 -6.105 5.397) 8.594 20.456 ( 4.659 3.811 5.438) 8.112 20.566 ( -3.275 1.776 2.755) 4.634 21.195 ( 4.033 2.739 -9.732) 10.885 21.920 ( -3.539 -3.275 -4.498) 6.594 22.354 ( 10.662 9.451 8.167) 16.422 28.834 ( -3.968 -1.857 2.663) 5.126 29.373 ( -5.698 -4.097 1.209) 7.121 29.571 ( -9.839 -3.615 0.079) 10.482 29.837 ( 2.304 -1.359 -0.952) 2.839 36.908 ( 1.787 10.266 -5.546) 11.804 37.328 ( 21.190 0.383 0.202) 21.195 37.639 ( 10.125 17.599 -1.501) 20.359 38.796 ( 7.197 2.244 3.185) 8.184 38.877 ( 0.650 8.475 -5.135) 9.930 40.030 ( -16.474 -16.912 3.228) 23.829 40.729 ( -11.471 -13.529 16.504) 24.228 41.974 ( -18.118 -8.793 -30.368) 36.439 ======================= Grid point 207 (69/85) ======================= q-point: ( 0.44 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 0.000 4.097 24.617) 24.956 3.378 ( -0.000 -33.732 7.819) 34.627 4.032 ( -0.000 -0.927 -5.840) 5.913 4.840 ( 0.000 7.118 -4.137) 8.233 5.853 ( -0.000 -4.759 -1.783) 5.082 6.312 ( 0.000 8.947 -1.111) 9.016 6.485 ( 0.000 0.187 0.097) 0.211 6.912 ( -0.000 -7.675 1.423) 7.806 7.103 ( 0.000 17.097 10.556) 20.093 7.416 ( -0.000 0.406 -0.779) 0.878 8.119 ( -0.000 -4.342 2.983) 5.268 8.169 ( 0.000 5.502 5.038) 7.460 8.559 ( -0.000 5.785 -6.301) 8.554 8.562 ( 0.000 4.795 -0.358) 4.808 9.291 ( -0.000 -33.787 -5.800) 34.281 9.675 ( 0.000 -7.039 11.618) 13.584 9.978 ( -0.000 -2.578 -0.469) 2.621 10.087 ( 0.000 -2.252 5.263) 5.725 10.289 ( 0.000 9.578 1.674) 9.723 10.861 ( 0.000 -0.046 11.312) 11.312 10.904 ( -0.000 7.145 -6.889) 9.925 11.045 ( 0.000 -3.435 11.271) 11.783 11.310 ( 0.000 -4.453 5.426) 7.019 11.939 ( -0.000 -15.129 -12.031) 19.329 12.133 ( -0.000 -9.993 -3.964) 10.751 12.322 ( 0.000 0.217 6.947) 6.950 12.691 ( -0.000 4.503 -7.225) 8.513 13.080 ( -0.000 0.787 -4.460) 4.529 13.167 ( -0.000 3.148 -17.760) 18.036 13.482 ( -0.000 -3.601 -10.025) 10.652 13.730 ( 0.000 7.279 4.892) 8.770 13.981 ( 0.000 9.199 2.500) 9.532 14.953 ( 0.000 -3.039 5.007) 5.858 15.370 ( 0.000 -1.703 8.585) 8.752 15.515 ( 0.000 -4.757 6.064) 7.707 15.740 ( 0.000 1.995 7.897) 8.145 17.869 ( 0.000 16.657 6.492) 17.878 18.318 ( 0.000 1.009 5.367) 5.461 18.500 ( 0.000 7.421 -1.456) 7.563 19.246 ( -0.000 -0.104 -2.373) 2.375 19.461 ( 0.000 2.027 -0.028) 2.027 20.212 ( -0.000 -9.139 3.642) 9.838 20.327 ( -0.000 -4.781 -6.390) 7.980 20.573 ( -0.000 -4.269 1.979) 4.705 20.817 ( -0.000 -0.921 -3.528) 3.646 21.339 ( -0.000 -0.692 -6.793) 6.828 21.876 ( 0.000 8.587 6.823) 10.968 22.454 ( -0.000 -7.438 -15.180) 16.904 28.870 ( 0.000 5.020 1.160) 5.152 29.541 ( 0.000 -0.279 3.831) 3.841 29.710 ( -0.000 -5.534 2.684) 6.151 29.959 ( -0.000 -4.418 0.719) 4.476 36.583 ( -0.000 1.235 -1.255) 1.761 36.972 ( 0.000 13.336 -6.238) 14.723 37.208 ( -0.000 5.905 -7.881) 9.848 38.652 ( -0.000 2.112 -4.171) 4.676 38.868 ( 0.000 13.807 -6.705) 15.349 40.186 ( 0.000 -10.316 22.810) 25.034 41.079 ( -0.000 -19.633 3.982) 20.032 42.835 ( -0.000 2.596 -6.526) 7.023 ======================= Grid point 209 (70/85) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -1.518 -29.541 8.713) 30.836 3.701 ( -2.435 -5.651 29.039) 29.684 3.960 ( -9.095 4.891 6.797) 12.363 4.733 ( -4.469 4.552 -7.965) 10.204 5.793 ( -3.721 0.796 0.456) 3.832 6.285 ( -12.383 -1.574 -1.073) 12.528 6.446 ( 3.291 3.547 -3.542) 5.997 6.832 ( 4.746 2.093 -12.035) 13.105 7.289 ( -9.518 9.891 6.860) 15.346 7.599 ( 6.668 2.593 13.037) 14.871 8.084 ( 2.174 -4.923 -2.884) 6.105 8.266 ( -4.062 -1.690 1.472) 4.639 8.454 ( 0.297 2.370 -1.158) 2.654 8.679 ( 7.721 1.140 -1.893) 8.031 8.939 ( 1.601 -25.782 -6.567) 26.653 9.677 ( -17.985 -12.920 2.970) 22.343 9.835 ( -2.707 -7.691 -3.278) 8.788 10.177 ( -2.044 -4.922 7.555) 9.245 10.406 ( 0.880 3.570 5.534) 6.644 10.711 ( -5.989 1.560 -11.896) 13.410 10.894 ( -11.314 -5.685 1.908) 12.805 11.170 ( -1.545 -5.734 0.490) 5.959 11.261 ( -2.297 -8.290 1.338) 8.706 11.746 ( -1.592 4.071 3.202) 5.418 12.066 ( 2.150 -2.349 -5.710) 6.538 12.289 ( -13.094 -1.834 -3.505) 13.678 12.557 ( 1.023 2.308 -2.791) 3.764 12.923 ( 1.618 5.809 -10.227) 11.872 13.234 ( 10.447 11.078 -2.240) 15.391 13.433 ( 9.566 -10.143 4.580) 14.676 13.806 ( 8.304 15.396 -10.553) 20.430 14.261 ( 4.754 1.714 18.973) 19.635 14.936 ( -4.928 0.033 -0.291) 4.937 15.335 ( -11.659 -2.430 2.658) 12.203 15.736 ( 18.625 -8.446 9.190) 22.420 15.949 ( 10.250 1.139 5.676) 11.772 18.075 ( 0.094 12.376 6.889) 14.165 18.370 ( -4.281 -2.685 3.871) 6.365 18.542 ( 5.400 7.002 -3.869) 9.652 19.254 ( 0.649 2.227 2.425) 3.355 19.493 ( 0.375 4.390 1.253) 4.580 20.177 ( -2.624 -6.345 -2.439) 7.287 20.226 ( -1.499 -4.757 4.005) 6.397 20.553 ( -2.606 -3.350 0.969) 4.354 20.751 ( -1.441 -1.661 -3.179) 3.866 21.226 ( 1.195 0.815 -8.823) 8.941 22.030 ( 0.733 9.537 3.392) 10.149 22.199 ( -1.500 -5.737 -9.273) 11.007 28.905 ( -1.525 4.310 0.437) 4.593 29.565 ( -3.846 -3.285 3.072) 5.918 29.717 ( 3.541 -6.152 1.311) 7.218 29.909 ( -4.047 -4.207 -0.139) 5.839 36.632 ( 7.808 1.984 -0.079) 8.057 36.983 ( -0.402 13.878 -5.092) 14.788 37.206 ( 6.212 11.166 -3.987) 13.385 38.622 ( 1.498 2.817 -2.837) 4.269 38.866 ( 0.526 14.872 -7.003) 16.447 40.410 ( -4.919 -16.582 20.372) 26.724 40.961 ( -4.646 -20.311 4.493) 21.314 42.656 ( -0.724 -0.439 -17.687) 17.707 ======================= Grid point 210 (71/85) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 0.858 -29.003 12.096) 31.436 3.604 ( -23.478 -4.724 -4.827) 24.430 4.299 ( -4.956 2.985 26.062) 26.696 4.728 ( -1.047 3.519 13.856) 14.334 5.793 ( -1.682 -0.828 2.572) 3.183 6.039 ( -20.932 -3.950 0.201) 21.302 6.430 ( 5.080 4.325 -11.997) 13.727 6.758 ( 9.811 5.305 -10.067) 15.025 7.251 ( -8.340 3.819 -3.784) 9.923 7.697 ( -4.246 -12.942 -0.462) 13.628 8.023 ( -9.321 -7.572 -2.189) 12.207 8.203 ( 3.095 -6.733 5.704) 9.352 8.439 ( -2.102 -8.124 2.479) 8.750 8.676 ( 0.016 -7.563 1.506) 7.712 8.926 ( 5.996 8.227 -1.610) 10.307 9.272 ( -20.265 -11.504 -5.683) 23.986 9.682 ( -9.701 -12.816 1.966) 16.194 10.140 ( -4.458 -9.211 0.348) 10.239 10.346 ( -9.719 -6.876 -12.005) 16.907 10.547 ( -1.214 -8.478 7.288) 11.246 10.850 ( -0.575 6.035 5.170) 7.967 10.970 ( -10.959 -3.289 -4.644) 12.349 11.267 ( 1.859 0.385 -2.611) 3.228 11.797 ( -18.606 9.386 4.610) 21.343 11.977 ( 2.588 2.569 -0.118) 3.649 12.213 ( 11.521 -7.591 -3.283) 14.182 12.579 ( 5.446 -1.442 -2.903) 6.338 12.928 ( 8.662 11.887 -4.935) 15.514 13.359 ( 7.976 8.681 -1.578) 11.894 13.645 ( 8.227 -0.578 7.842) 11.380 13.863 ( 8.815 10.558 -6.282) 15.121 14.579 ( 3.713 0.726 12.853) 13.398 14.876 ( -1.914 0.961 -1.570) 2.656 15.205 ( -10.555 -0.101 -0.138) 10.556 15.981 ( 6.804 -4.326 4.971) 9.472 16.150 ( 18.752 -4.636 -0.144) 19.317 18.217 ( -4.834 -1.236 3.751) 6.242 18.313 ( -4.049 0.722 3.088) 5.143 18.596 ( 8.215 4.430 -5.063) 10.618 19.335 ( 1.760 1.233 2.488) 3.287 19.575 ( 1.416 5.785 2.875) 6.613 20.092 ( -1.140 0.212 -1.426) 1.838 20.298 ( 0.495 -5.281 9.692) 11.049 20.499 ( -4.972 -0.021 -0.291) 4.981 20.668 ( -3.758 -2.633 -0.476) 4.614 21.111 ( 2.750 2.568 -10.416) 11.075 21.983 ( -1.701 -2.370 -6.280) 6.925 22.213 ( 2.538 8.840 3.812) 9.956 28.909 ( -2.329 1.834 0.410) 2.992 29.506 ( -5.340 -6.567 1.595) 8.613 29.740 ( 2.582 -5.132 0.951) 5.823 29.809 ( -5.748 -3.021 -1.228) 6.608 36.785 ( 12.292 4.642 0.601) 13.153 36.996 ( 0.718 11.245 -3.776) 11.884 37.379 ( 10.910 16.961 -0.800) 20.183 38.653 ( 4.131 3.109 0.421) 5.187 38.864 ( 0.459 13.907 -7.009) 15.580 40.388 ( -12.013 -23.478 7.296) 27.364 40.927 ( -5.110 -17.762 16.468) 24.755 42.256 ( -6.559 -4.398 -25.800) 26.982 ======================= Grid point 211 (72/85) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -28.225 -6.600 -6.911) 29.799 3.250 ( 5.505 -30.161 12.194) 32.995 4.541 ( 0.741 10.851 4.951) 11.950 5.101 ( -9.383 -3.963 33.763) 35.266 5.650 ( -25.996 -1.760 -4.157) 26.385 5.868 ( 12.130 -11.711 -4.222) 17.381 6.284 ( -3.331 3.297 -8.904) 10.062 6.786 ( 8.634 -0.954 -5.310) 10.181 7.110 ( -3.433 -2.656 -2.697) 5.110 7.437 ( -9.441 -17.081 -2.768) 19.711 7.805 ( -10.876 -9.713 -0.617) 14.595 8.193 ( -12.750 -5.574 6.754) 15.468 8.412 ( -5.191 -7.605 0.517) 9.222 8.643 ( -6.155 -0.422 8.095) 10.178 8.892 ( -10.660 -1.840 -1.767) 10.961 9.114 ( 10.317 5.315 -5.985) 13.058 9.580 ( -0.607 -10.584 2.786) 10.961 9.961 ( -13.587 -7.295 -2.213) 15.580 10.113 ( 3.143 -6.279 -3.253) 7.739 10.480 ( -9.351 -11.037 0.731) 14.484 10.804 ( -8.987 0.190 0.757) 9.021 11.045 ( 1.205 12.656 6.350) 14.211 11.245 ( 3.337 1.253 -2.460) 4.331 11.744 ( -8.943 5.810 5.292) 11.905 12.024 ( 5.508 -2.448 -2.403) 6.489 12.257 ( 8.351 -6.165 -1.623) 10.506 12.560 ( 5.843 -5.903 -4.573) 9.482 13.109 ( 12.787 12.564 -1.213) 17.968 13.515 ( 8.344 8.230 -0.479) 11.730 13.777 ( -1.448 7.797 2.908) 8.446 13.979 ( 11.333 8.795 -3.839) 14.850 14.745 ( -0.194 2.692 5.981) 6.562 14.851 ( 2.026 0.182 -4.441) 4.884 15.124 ( -4.503 1.158 2.475) 5.267 15.980 ( -7.830 0.852 -1.605) 8.038 16.260 ( 12.116 -8.491 -6.473) 16.149 18.070 ( -8.245 -10.692 0.076) 13.502 18.396 ( -2.901 2.236 5.133) 6.305 18.645 ( 8.435 4.578 -5.217) 10.924 19.369 ( 1.133 -0.912 0.234) 1.473 19.645 ( 0.017 1.458 1.207) 1.892 20.113 ( 1.462 2.576 1.269) 3.222 20.343 ( -4.422 -5.921 1.281) 7.500 20.463 ( -0.895 -3.287 0.580) 3.456 20.698 ( 2.156 5.359 6.747) 8.882 21.028 ( 4.081 4.843 -7.394) 9.736 21.884 ( -1.955 -2.742 -1.561) 3.712 22.393 ( 8.321 11.018 2.648) 14.058 28.890 ( -2.545 -2.375 1.085) 3.646 29.417 ( -4.576 -5.728 0.612) 7.357 29.667 ( -8.713 -2.228 0.183) 8.995 29.771 ( 3.350 -3.691 -0.645) 5.026 36.924 ( 0.066 14.676 -3.059) 14.992 37.116 ( 16.391 3.484 1.198) 16.800 37.626 ( 10.143 17.778 -0.474) 20.473 38.782 ( 5.382 5.509 1.261) 7.804 38.861 ( 2.917 8.206 -1.875) 8.909 40.109 ( -15.081 -22.156 0.551) 26.807 40.980 ( -10.545 -18.998 10.998) 24.353 41.733 ( -11.038 -7.600 -14.853) 20.005 ======================= Grid point 218 (73/85) ======================= q-point: (-0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -0.000 -29.740 8.274) 30.870 3.946 ( 0.000 1.850 7.098) 7.336 4.345 ( 0.000 4.102 10.316) 11.101 4.696 ( 0.000 -1.632 14.683) 14.773 5.880 ( 0.000 2.172 5.280) 5.709 6.174 ( -0.000 -2.062 -16.544) 16.672 6.403 ( -0.000 4.938 -9.115) 10.366 6.642 ( -0.000 7.883 -9.202) 12.117 7.458 ( -0.000 -1.683 -1.639) 2.349 7.751 ( 0.000 -6.300 6.559) 9.094 7.989 ( 0.000 3.266 4.390) 5.471 8.264 ( -0.000 -20.201 -8.573) 21.945 8.439 ( 0.000 3.075 7.230) 7.857 8.565 ( -0.000 -10.359 1.935) 10.538 8.856 ( 0.000 0.255 4.546) 4.553 9.494 ( -0.000 -11.169 -18.576) 21.676 9.885 ( -0.000 -14.724 8.051) 16.782 10.199 ( -0.000 -11.350 -1.717) 11.479 10.449 ( -0.000 -8.043 0.505) 8.059 10.612 ( -0.000 0.733 -3.261) 3.342 10.940 ( -0.000 -11.344 -5.862) 12.769 10.992 ( -0.000 -3.774 -4.863) 6.156 11.365 ( 0.000 -0.111 5.501) 5.502 11.704 ( -0.000 -1.122 -4.223) 4.369 11.996 ( 0.000 1.840 1.156) 2.173 12.393 ( -0.000 -6.100 -2.880) 6.746 12.493 ( 0.000 11.744 -2.941) 12.107 12.816 ( 0.000 11.123 -6.432) 12.849 13.256 ( 0.000 18.295 -0.750) 18.310 13.485 ( 0.000 -8.265 15.549) 17.609 13.725 ( 0.000 17.195 -7.765) 18.867 14.530 ( 0.000 0.401 17.020) 17.025 14.926 ( -0.000 -2.596 -3.893) 4.679 15.363 ( -0.000 -10.868 -3.415) 11.392 15.677 ( 0.000 -6.096 9.437) 11.235 16.053 ( 0.000 4.012 9.015) 9.867 18.266 ( 0.000 8.218 7.909) 11.406 18.401 ( -0.000 -7.670 0.449) 7.683 18.470 ( -0.000 6.264 -5.960) 8.646 19.313 ( 0.000 3.289 2.931) 4.405 19.552 ( 0.000 6.085 1.837) 6.356 20.111 ( -0.000 -0.019 -3.881) 3.882 20.293 ( 0.000 -6.446 7.940) 10.227 20.567 ( -0.000 -1.644 1.053) 1.952 20.719 ( -0.000 -2.069 -0.610) 2.157 21.076 ( -0.000 2.218 -10.792) 11.017 22.003 ( -0.000 -1.097 -6.921) 7.007 22.189 ( 0.000 8.382 2.742) 8.819 28.939 ( 0.000 3.735 -0.962) 3.857 29.624 ( -0.000 -4.823 0.478) 4.847 29.638 ( -0.000 -8.630 2.517) 8.990 29.897 ( -0.000 -3.975 -0.866) 4.068 36.605 ( 0.000 2.192 1.146) 2.474 37.055 ( 0.000 19.094 -2.693) 19.283 37.195 ( 0.000 12.444 -1.641) 12.552 38.604 ( 0.000 3.498 -0.918) 3.617 38.859 ( 0.000 15.697 -7.384) 17.347 40.543 ( -0.000 -25.738 9.782) 27.534 40.983 ( -0.000 -19.233 14.981) 24.380 42.329 ( -0.000 -3.127 -23.581) 23.788 ======================= Grid point 220 (74/85) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 3.619 -28.785 7.437) 29.949 3.813 ( -26.466 -2.656 -6.718) 27.434 4.385 ( 12.426 5.106 -2.609) 13.685 5.203 ( 1.145 -3.447 36.274) 36.456 5.722 ( -2.916 -11.725 -20.852) 24.099 6.026 ( -0.044 3.263 -8.433) 9.042 6.214 ( 0.692 4.420 -7.033) 8.336 6.694 ( 2.707 10.516 0.352) 10.865 7.259 ( -7.606 -5.751 -8.597) 12.839 7.665 ( -10.331 -16.045 1.897) 19.177 7.945 ( -1.461 -18.424 -2.180) 18.610 8.241 ( 8.715 -3.650 3.936) 10.236 8.458 ( -7.750 -8.390 6.505) 13.144 8.692 ( 7.675 0.469 5.375) 9.381 8.912 ( 0.917 0.749 -2.373) 2.652 9.117 ( -3.799 -8.385 -11.713) 14.898 9.800 ( -8.570 -16.510 1.705) 18.679 10.037 ( -0.730 -11.018 -4.186) 11.809 10.276 ( -8.553 -9.105 -4.777) 13.374 10.588 ( -1.248 -11.456 3.014) 11.912 10.807 ( 5.836 -7.711 -1.484) 9.784 10.973 ( 4.876 1.350 -3.309) 6.045 11.306 ( -12.477 6.042 -1.782) 13.977 11.720 ( 14.499 -5.307 -5.648) 16.440 12.036 ( -1.467 3.162 0.336) 3.502 12.292 ( -12.349 5.476 3.948) 14.074 12.552 ( -2.125 4.840 1.985) 5.646 12.893 ( 5.520 18.682 -1.036) 19.508 13.378 ( 0.640 12.717 2.047) 12.896 13.687 ( 6.785 5.538 1.892) 8.960 13.811 ( 2.990 8.825 4.403) 10.305 14.745 ( 0.037 -0.223 9.228) 9.231 14.822 ( 0.498 -3.344 -4.719) 5.805 15.209 ( -0.636 -5.777 -6.082) 8.413 15.846 ( 11.008 -8.030 7.435) 15.522 16.208 ( -4.496 5.153 8.849) 11.183 18.247 ( -5.786 -12.660 -1.466) 13.996 18.421 ( 2.242 1.820 -1.775) 3.390 18.491 ( 2.282 10.045 2.707) 10.651 19.366 ( -0.445 1.967 1.338) 2.420 19.620 ( 1.402 4.210 0.487) 4.464 20.084 ( 0.662 3.583 -1.308) 3.871 20.361 ( 0.851 -6.590 4.957) 8.290 20.543 ( -3.843 0.759 -1.665) 4.256 20.719 ( -1.152 -2.483 3.254) 4.252 20.951 ( 1.873 5.292 -7.812) 9.620 21.915 ( -0.656 -2.034 -2.239) 3.095 22.291 ( 1.503 11.832 0.009) 11.927 28.929 ( -0.815 1.027 -1.583) 2.055 29.520 ( -3.645 -9.045 -0.387) 9.760 29.672 ( 3.630 -6.907 1.680) 7.981 29.836 ( -3.826 -2.142 -0.950) 4.486 36.705 ( 8.409 3.686 2.709) 9.573 37.100 ( -6.715 17.913 -1.831) 19.218 37.365 ( 10.444 17.132 0.318) 20.067 38.654 ( 2.988 3.881 2.253) 5.391 38.850 ( -0.007 14.136 -7.186) 15.857 40.391 ( -6.933 -27.450 2.193) 28.397 41.119 ( -2.184 -22.314 18.551) 29.100 41.910 ( -3.661 -5.665 -21.117) 22.168 ======================= Grid point 229 (75/85) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -0.000 -27.385 5.385) 27.909 3.781 ( -0.000 -10.397 -17.902) 20.702 4.285 ( 0.000 4.645 -0.702) 4.698 5.097 ( -0.000 -11.199 -41.088) 42.586 5.483 ( -0.000 -23.985 6.694) 24.902 6.098 ( 0.000 5.945 0.881) 6.010 6.173 ( 0.000 3.096 7.740) 8.337 6.804 ( 0.000 12.919 6.230) 14.342 7.157 ( -0.000 -2.295 -3.991) 4.604 7.692 ( -0.000 -28.938 -1.726) 28.990 7.751 ( -0.000 -17.267 4.809) 17.924 8.139 ( -0.000 -16.054 -3.380) 16.406 8.507 ( -0.000 -8.077 -2.224) 8.378 8.679 ( -0.000 -11.574 -3.613) 12.125 8.714 ( -0.000 -6.780 -3.044) 7.432 9.130 ( 0.000 8.934 5.271) 10.373 9.727 ( -0.000 -7.375 -0.909) 7.430 9.969 ( -0.000 -9.156 0.132) 9.157 10.207 ( -0.000 -13.150 0.248) 13.152 10.514 ( -0.000 -9.684 -2.446) 9.989 10.661 ( -0.000 -10.139 -2.257) 10.387 10.885 ( -0.000 0.467 -3.231) 3.264 11.361 ( -0.000 -3.284 -7.652) 8.327 11.576 ( 0.000 10.379 0.306) 10.383 12.056 ( 0.000 2.153 -0.720) 2.271 12.462 ( 0.000 0.972 5.338) 5.426 12.710 ( 0.000 11.050 5.501) 12.344 13.006 ( 0.000 25.348 1.092) 25.372 13.556 ( 0.000 10.178 7.410) 12.590 13.608 ( -0.000 2.767 -6.917) 7.450 14.003 ( 0.000 9.321 8.957) 12.927 14.674 ( -0.000 -2.486 -5.747) 6.262 14.876 ( 0.000 -0.223 5.300) 5.305 15.051 ( -0.000 -0.093 -8.580) 8.581 15.882 ( 0.000 -5.175 9.192) 10.548 16.454 ( 0.000 5.194 12.625) 13.652 18.151 ( -0.000 -14.586 -2.449) 14.790 18.327 ( -0.000 1.979 -5.773) 6.103 18.660 ( 0.000 10.247 6.913) 12.361 19.403 ( 0.000 2.089 0.640) 2.185 19.615 ( -0.000 2.335 -2.624) 3.513 20.090 ( 0.000 3.839 -1.190) 4.019 20.354 ( -0.000 -7.222 1.446) 7.365 20.539 ( -0.000 1.514 -3.214) 3.553 20.646 ( -0.000 -0.355 -9.521) 9.528 21.004 ( 0.000 5.657 8.616) 10.308 21.900 ( -0.000 -2.661 1.707) 3.161 22.338 ( 0.000 13.991 -4.250) 14.622 28.897 ( -0.000 -1.295 -2.876) 3.154 29.458 ( -0.000 -9.193 -1.466) 9.309 29.620 ( -0.000 -9.398 1.242) 9.479 29.841 ( -0.000 -0.142 -0.074) 0.160 36.739 ( 0.000 4.864 4.555) 6.664 37.288 ( 0.000 20.670 -0.862) 20.687 37.403 ( 0.000 16.416 1.516) 16.486 38.712 ( 0.000 4.175 4.362) 6.038 38.835 ( 0.000 12.256 -6.558) 13.900 40.262 ( -0.000 -26.790 0.235) 26.791 41.109 ( -0.000 -21.339 -6.247) 22.235 41.744 ( -0.000 -13.031 9.869) 16.346 ======================= Grid point 282 (76/85) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 0.000 -0.000 9.234) 9.234 3.847 ( 0.000 -0.000 3.445) 3.445 4.232 ( -0.000 0.000 -10.407) 10.407 4.680 ( 0.000 -0.000 6.948) 6.948 5.951 ( 0.000 -0.000 22.383) 22.383 6.236 ( -0.000 0.000 -5.302) 5.302 6.267 ( -0.000 0.000 -11.471) 11.471 6.722 ( 0.000 -0.000 9.505) 9.505 7.355 ( -0.000 0.000 -3.432) 3.432 7.484 ( -0.000 0.000 -10.084) 10.084 7.798 ( 0.000 -0.000 8.513) 8.513 8.161 ( 0.000 -0.000 9.380) 9.380 8.432 ( -0.000 0.000 -0.525) 0.525 8.509 ( -0.000 0.000 -4.871) 4.871 9.481 ( 0.000 -0.000 19.213) 19.213 9.571 ( 0.000 -0.000 18.328) 18.328 10.085 ( 0.000 -0.000 3.516) 3.516 10.118 ( -0.000 0.000 -0.490) 0.490 10.347 ( -0.000 0.000 -23.701) 23.701 10.579 ( 0.000 -0.000 28.757) 28.757 10.669 ( 0.000 -0.000 15.463) 15.463 10.993 ( -0.000 0.000 -9.652) 9.652 11.176 ( 0.000 -0.000 15.885) 15.885 12.183 ( 0.000 -0.000 14.692) 14.692 12.276 ( 0.000 -0.000 0.846) 0.846 12.619 ( -0.000 0.000 -18.570) 18.570 12.731 ( -0.000 0.000 -7.749) 7.749 13.241 ( -0.000 0.000 -19.309) 19.309 13.342 ( 0.000 -0.000 24.894) 24.894 13.548 ( -0.000 0.000 -14.293) 14.293 13.796 ( -0.000 0.000 -17.401) 17.401 13.826 ( -0.000 0.000 -22.933) 22.933 14.892 ( 0.000 -0.000 12.934) 12.934 15.167 ( 0.000 -0.000 19.880) 19.880 15.529 ( -0.000 0.000 -11.175) 11.175 15.576 ( 0.000 -0.000 6.922) 6.922 17.461 ( 0.000 -0.000 8.154) 8.154 18.222 ( 0.000 -0.000 2.675) 2.675 18.411 ( 0.000 -0.000 0.836) 0.836 19.325 ( -0.000 0.000 -5.705) 5.705 19.458 ( -0.000 0.000 -1.272) 1.272 20.289 ( 0.000 -0.000 1.866) 1.866 20.537 ( -0.000 0.000 -5.693) 5.693 20.611 ( 0.000 -0.000 3.144) 3.144 20.873 ( -0.000 0.000 -3.512) 3.512 21.461 ( -0.000 0.000 -6.880) 6.880 21.630 ( 0.000 -0.000 9.217) 9.217 22.853 ( -0.000 0.000 -19.811) 19.811 28.772 ( 0.000 -0.000 2.384) 2.384 29.472 ( 0.000 -0.000 4.280) 4.280 29.711 ( 0.000 -0.000 4.784) 4.784 30.025 ( 0.000 -0.000 1.346) 1.346 36.595 ( -0.000 0.000 -4.158) 4.158 36.871 ( -0.000 0.000 -6.432) 6.432 37.283 ( -0.000 0.000 -11.652) 11.652 38.726 ( -0.000 0.000 -4.944) 4.944 38.741 ( -0.000 0.000 -5.087) 5.087 39.963 ( 0.000 -0.000 22.874) 22.874 41.278 ( 0.000 -0.000 8.161) 8.161 42.775 ( 0.000 -0.000 5.832) 5.832 ======================= Grid point 285 (77/85) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 2.950 1.703 26.013) 26.235 3.803 ( -12.056 -6.960 6.041) 15.175 4.050 ( -4.144 -2.393 -7.705) 9.070 4.709 ( -1.778 -1.027 -2.234) 3.034 5.924 ( -10.432 -6.023 -4.505) 12.860 6.220 ( 4.277 2.469 -2.955) 5.756 6.374 ( 9.844 5.683 4.158) 12.103 6.886 ( 2.887 1.667 1.898) 3.836 7.157 ( -17.754 -10.250 7.378) 21.788 7.402 ( 2.893 1.670 1.217) 3.555 8.056 ( 12.292 7.097 4.577) 14.913 8.231 ( -5.398 -3.117 6.135) 8.746 8.363 ( -2.029 -1.172 -1.849) 2.985 8.585 ( 10.612 6.127 -3.111) 12.642 9.672 ( -10.932 -6.311 11.324) 16.958 9.878 ( 3.528 2.037 12.775) 13.409 9.921 ( -6.520 -3.764 -13.621) 15.563 10.051 ( -3.119 -1.801 -2.477) 4.371 10.180 ( 0.138 0.080 6.259) 6.261 10.770 ( -1.059 -0.612 -0.930) 1.537 10.865 ( 3.237 1.869 3.605) 5.193 11.093 ( -1.859 -1.073 19.418) 19.536 11.369 ( -1.439 -0.831 10.788) 10.915 12.094 ( -25.633 -14.799 -9.408) 31.058 12.209 ( -1.522 -0.879 -9.555) 9.716 12.459 ( 1.382 0.798 8.136) 8.291 12.607 ( -2.618 -1.512 -12.617) 12.974 12.892 ( -2.829 -1.633 -11.901) 12.341 13.273 ( -2.732 -1.578 -10.009) 10.494 13.605 ( 10.092 5.827 -15.974) 19.773 13.664 ( 10.399 6.004 -7.534) 14.175 13.850 ( 9.439 5.450 20.385) 23.115 14.977 ( -10.614 -6.128 3.734) 12.812 15.294 ( -4.236 -2.446 3.315) 5.908 15.586 ( 7.204 4.159 14.020) 16.303 15.774 ( 14.896 8.600 2.050) 17.322 17.651 ( 5.798 3.348 8.977) 11.199 18.301 ( -1.492 -0.861 7.735) 7.925 18.436 ( 4.019 2.320 -1.071) 4.763 19.247 ( -0.684 -0.395 -3.154) 3.251 19.441 ( 0.483 0.279 -1.060) 1.197 20.301 ( -3.444 -1.988 3.099) 5.041 20.387 ( -4.348 -2.511 -7.507) 9.032 20.628 ( -3.161 -1.825 2.191) 4.257 20.829 ( 0.664 0.383 -3.586) 3.667 21.346 ( 0.438 0.253 -8.218) 8.234 21.784 ( 2.234 1.290 7.924) 8.334 22.534 ( -3.164 -1.827 -17.153) 17.537 28.813 ( 0.641 0.370 1.905) 2.044 29.539 ( -0.324 -0.187 4.257) 4.273 29.767 ( -0.576 -0.332 3.244) 3.311 30.015 ( -3.777 -2.181 1.110) 4.500 36.578 ( 4.936 2.850 -2.497) 6.222 36.814 ( 4.726 2.729 -6.175) 8.241 37.144 ( 3.192 1.843 -9.409) 10.105 38.643 ( 0.632 0.365 -4.594) 4.652 38.707 ( 4.174 2.410 -5.494) 7.308 40.298 ( -4.599 -2.655 24.714) 25.278 41.297 ( -8.423 -4.863 3.547) 10.353 42.800 ( 1.938 1.119 -5.230) 5.688 ======================= Grid point 286 (78/85) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -3.851 -2.223 13.767) 14.467 3.787 ( -10.584 -6.111 18.432) 22.115 3.891 ( -10.371 -5.988 9.155) 15.074 4.588 ( -3.595 -2.076 -4.340) 6.006 5.756 ( -3.216 -1.857 -1.542) 4.021 6.193 ( -7.493 -4.326 -1.643) 8.806 6.431 ( 0.585 0.338 -3.074) 3.148 6.834 ( 7.705 4.449 -13.924) 16.524 7.132 ( -7.295 -4.212 11.193) 14.009 7.643 ( 4.962 2.865 15.604) 16.623 8.145 ( -7.098 -4.098 2.937) 8.707 8.273 ( 2.908 1.679 -2.570) 4.228 8.384 ( 5.442 3.142 3.723) 7.304 8.685 ( 9.363 5.406 -3.539) 11.376 9.335 ( -12.549 -7.245 -16.952) 22.301 9.681 ( -27.439 -15.842 7.272) 32.507 9.927 ( -4.281 -2.472 -1.529) 5.175 10.225 ( -6.251 -3.609 6.101) 9.451 10.251 ( 10.847 6.262 10.069) 16.070 10.670 ( -5.828 -3.365 -2.917) 7.335 10.914 ( -11.007 -6.355 1.364) 12.783 11.219 ( 2.722 1.572 5.766) 6.567 11.409 ( -19.445 -11.227 1.165) 22.484 11.588 ( -14.818 -8.555 -4.874) 17.791 11.915 ( -1.555 -0.898 -9.099) 9.274 12.494 ( 6.312 3.644 -0.983) 7.354 12.580 ( -0.106 -0.061 3.208) 3.210 12.733 ( 2.935 1.694 -11.569) 12.055 13.253 ( 8.919 5.150 -2.139) 10.519 13.536 ( 12.155 7.017 -14.715) 20.335 13.815 ( 8.173 4.719 4.978) 10.670 14.327 ( 9.916 5.725 19.089) 22.260 14.794 ( -6.301 -3.638 -5.098) 8.884 15.249 ( -10.650 -6.149 4.407) 13.064 15.891 ( 5.265 3.040 8.903) 10.781 16.104 ( 23.359 13.486 -0.521) 26.977 17.895 ( 7.257 4.190 8.595) 12.004 18.365 ( -4.359 -2.517 5.738) 7.633 18.520 ( 6.540 3.776 0.064) 7.552 19.237 ( 1.318 0.761 2.516) 2.940 19.446 ( 1.469 0.848 -0.229) 1.711 20.187 ( -3.701 -2.137 -7.213) 8.385 20.309 ( -5.573 -3.218 6.263) 8.980 20.579 ( -5.959 -3.441 1.095) 6.968 20.768 ( -1.383 -0.799 -3.753) 4.079 21.224 ( 1.613 0.931 -9.638) 9.816 21.934 ( 3.751 2.165 4.909) 6.546 22.252 ( -3.746 -2.163 -11.295) 12.095 28.846 ( 0.220 0.127 1.591) 1.611 29.575 ( -3.269 -1.887 3.572) 5.197 29.799 ( 0.396 0.229 1.139) 1.228 29.938 ( -7.439 -4.295 0.613) 8.612 36.664 ( 8.470 4.890 -1.788) 9.942 36.838 ( 9.567 5.523 -4.560) 11.951 37.105 ( 7.573 4.372 -6.163) 10.699 38.610 ( 2.790 1.611 -3.005) 4.405 38.700 ( 5.328 3.076 -5.258) 8.093 40.556 ( -10.885 -6.285 23.250) 26.430 41.157 ( -13.020 -7.517 2.773) 15.288 42.650 ( -0.150 -0.086 -16.946) 16.947 ======================= Grid point 287 (79/85) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -20.029 -11.564 -1.862) 23.202 3.703 ( -10.172 -5.873 9.660) 15.208 4.168 ( -4.636 -2.677 17.959) 18.740 4.652 ( -2.549 -1.472 23.710) 23.892 5.777 ( -1.192 -0.688 3.739) 3.984 5.940 ( -14.901 -8.603 0.987) 17.235 6.396 ( 2.790 1.611 -9.087) 9.641 6.763 ( 13.397 7.735 -15.549) 21.933 7.159 ( -4.968 -2.869 4.108) 7.056 7.853 ( -2.854 -1.648 7.127) 7.853 8.010 ( -13.290 -7.673 -0.706) 15.362 8.286 ( -4.416 -2.550 4.294) 6.667 8.501 ( 1.768 1.021 3.155) 3.758 8.772 ( 7.729 4.463 -5.957) 10.731 8.912 ( -17.671 -10.202 -6.362) 21.373 9.254 ( -21.988 -12.695 -1.724) 25.448 9.817 ( -9.123 -5.267 1.761) 10.680 10.134 ( -11.859 -6.847 2.929) 14.003 10.427 ( -10.731 -6.196 -7.294) 14.378 10.564 ( 6.213 3.587 8.414) 11.057 10.712 ( -12.241 -7.067 -0.047) 14.134 11.020 ( -20.390 -11.772 -0.387) 23.547 11.323 ( 0.501 0.289 -0.494) 0.761 11.443 ( 1.664 0.960 4.414) 4.814 11.975 ( 4.772 2.755 2.859) 6.208 12.535 ( 2.605 1.504 -7.197) 7.801 12.670 ( 5.835 3.369 -5.079) 8.438 12.701 ( 15.977 9.224 -0.465) 18.455 13.409 ( 10.721 6.190 0.823) 12.406 13.540 ( 10.975 6.337 -8.992) 15.539 13.982 ( 4.131 2.385 1.666) 5.053 14.645 ( -1.530 -0.883 3.728) 4.125 14.752 ( 6.181 3.569 9.166) 11.618 15.104 ( -11.022 -6.364 0.565) 12.740 15.998 ( 0.875 0.505 -1.469) 1.783 16.407 ( 18.163 10.486 -5.704) 21.735 18.127 ( 5.720 3.302 7.230) 9.793 18.328 ( -9.254 -5.343 3.435) 11.224 18.607 ( 8.158 4.710 -4.043) 10.251 19.353 ( 3.461 1.998 3.559) 5.351 19.498 ( 3.728 2.152 3.261) 5.400 20.068 ( 0.156 0.090 -3.438) 3.443 20.366 ( -2.277 -1.315 10.318) 10.647 20.482 ( -7.558 -4.364 0.723) 8.757 20.676 ( -4.074 -2.352 -1.894) 5.071 21.102 ( 3.112 1.797 -10.884) 11.462 21.985 ( 0.093 0.054 -5.274) 5.275 22.154 ( 2.923 1.688 3.071) 4.564 28.871 ( -0.318 -0.183 1.871) 1.906 29.543 ( -6.445 -3.721 2.593) 7.881 29.776 ( -6.072 -3.506 -2.039) 7.302 29.843 ( -2.607 -1.505 1.414) 3.326 36.732 ( 5.532 3.194 -4.074) 7.577 37.008 ( 16.226 9.368 -0.856) 18.755 37.205 ( 12.910 7.454 -2.379) 15.096 38.653 ( 5.754 3.322 0.545) 6.666 38.709 ( 5.351 3.090 -4.802) 7.826 40.569 ( -20.335 -11.741 8.548) 24.989 41.087 ( -11.687 -6.748 15.815) 20.791 42.257 ( -7.243 -4.182 -25.886) 27.203 ======================= Grid point 294 (80/85) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 0.000 -0.639 21.739) 21.748 3.935 ( -0.000 -7.122 3.869) 8.105 4.005 ( 0.000 -9.625 15.428) 18.184 4.654 ( -0.000 4.869 -8.415) 9.722 5.847 ( -0.000 -2.910 -5.417) 6.149 6.189 ( 0.000 5.314 -1.230) 5.455 6.365 ( -0.000 5.511 -6.288) 8.361 6.773 ( -0.000 4.709 -16.617) 17.272 7.392 ( 0.000 -9.393 18.426) 20.682 7.527 ( 0.000 -2.958 15.479) 15.759 8.120 ( 0.000 8.755 3.994) 9.623 8.239 ( -0.000 -7.301 0.602) 7.326 8.456 ( 0.000 1.725 -0.576) 1.819 8.498 ( 0.000 6.603 1.804) 6.845 9.463 ( -0.000 -17.060 -19.268) 25.735 9.937 ( -0.000 -2.720 -9.838) 10.207 10.000 ( 0.000 -6.810 15.486) 16.917 10.172 ( 0.000 9.826 11.404) 15.053 10.297 ( 0.000 -1.982 9.318) 9.526 10.730 ( -0.000 -2.529 -3.877) 4.629 10.903 ( 0.000 7.349 3.948) 8.342 11.382 ( 0.000 -8.434 9.835) 12.957 11.494 ( 0.000 -4.715 8.774) 9.960 11.830 ( -0.000 -12.293 -20.868) 24.219 12.135 ( -0.000 5.874 -10.137) 11.716 12.406 ( -0.000 -7.352 -10.546) 12.855 12.589 ( 0.000 -0.135 3.781) 3.783 12.799 ( -0.000 1.374 -4.053) 4.279 13.073 ( -0.000 -5.445 -8.820) 10.365 13.444 ( -0.000 10.826 -10.981) 15.420 13.534 ( 0.000 -0.087 6.780) 6.780 14.170 ( 0.000 4.674 21.209) 21.718 14.975 ( -0.000 -3.121 -9.363) 9.869 15.443 ( 0.000 9.219 9.887) 13.518 15.657 ( -0.000 -6.116 3.096) 6.855 15.821 ( 0.000 4.999 8.944) 10.246 17.809 ( 0.000 8.722 9.297) 12.748 18.383 ( -0.000 3.306 -3.814) 5.048 18.475 ( 0.000 -2.514 12.376) 12.629 19.227 ( 0.000 0.355 0.235) 0.426 19.425 ( 0.000 1.916 -1.146) 2.233 20.242 ( -0.000 -2.044 -10.314) 10.514 20.377 ( 0.000 -3.790 5.663) 6.814 20.658 ( -0.000 -3.480 1.392) 3.748 20.779 ( -0.000 -0.856 -2.455) 2.600 21.205 ( -0.000 0.606 -9.830) 9.849 21.890 ( 0.000 3.359 4.803) 5.861 22.298 ( -0.000 -2.557 -12.728) 12.982 28.843 ( 0.000 1.860 1.250) 2.241 29.609 ( 0.000 -0.344 4.432) 4.445 29.797 ( -0.000 -2.280 1.371) 2.661 30.034 ( -0.000 -4.002 0.889) 4.100 36.535 ( 0.000 2.940 -0.987) 3.101 36.732 ( 0.000 7.080 -5.493) 8.961 37.018 ( -0.000 4.388 -6.819) 8.109 38.573 ( -0.000 0.636 -3.625) 3.680 38.639 ( 0.000 6.349 -4.940) 8.044 40.688 ( 0.000 -6.966 25.893) 26.814 41.323 ( -0.000 -10.003 0.840) 10.039 42.644 ( -0.000 1.049 -14.626) 14.663 ======================= Grid point 296 (81/85) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -1.359 -15.391 9.629) 18.206 3.870 ( -6.681 -2.045 -0.681) 7.020 4.304 ( -3.885 -2.522 8.994) 10.117 4.675 ( 0.101 3.248 23.163) 23.390 5.792 ( -3.168 1.317 2.303) 4.132 6.175 ( -1.552 2.742 -8.636) 9.193 6.278 ( 4.468 4.150 -11.360) 12.893 6.522 ( 5.687 7.629 -19.567) 21.758 7.482 ( -17.692 -9.543 15.692) 25.501 7.835 ( 5.643 -2.655 16.152) 17.314 8.109 ( 3.474 -6.233 -4.141) 8.250 8.293 ( -2.125 3.073 2.535) 4.515 8.461 ( 0.851 1.862 4.771) 5.192 8.589 ( 3.884 4.958 -2.576) 6.804 9.103 ( -2.298 -13.647 -8.669) 16.330 9.649 ( -4.688 -6.590 -17.993) 19.727 10.120 ( -9.330 -12.627 13.297) 20.574 10.349 ( -4.026 -3.720 5.456) 7.734 10.447 ( -0.539 9.287 12.909) 15.912 10.639 ( -2.633 -10.178 -2.784) 10.875 10.956 ( -4.639 -3.389 -1.434) 5.921 11.281 ( -3.229 -13.838 -5.521) 15.245 11.332 ( -8.193 -4.214 -7.753) 12.041 11.724 ( 0.534 5.309 1.465) 5.533 11.950 ( -13.278 6.260 -0.984) 14.712 12.247 ( 7.879 -7.219 -8.674) 13.764 12.601 ( 0.777 3.742 -1.676) 4.174 12.709 ( -5.517 -5.565 -0.980) 7.897 13.071 ( 12.566 3.576 -3.065) 13.420 13.369 ( 1.800 15.750 -8.084) 17.795 13.793 ( 11.846 -9.106 11.845) 19.067 14.524 ( 4.635 3.036 15.636) 16.588 14.804 ( -4.373 9.248 -7.863) 12.903 15.439 ( -14.879 -5.325 3.442) 16.174 15.861 ( 19.994 1.793 2.631) 20.246 15.973 ( 3.693 4.336 3.005) 6.440 18.026 ( 2.001 9.700 8.360) 12.961 18.358 ( 3.303 4.632 -5.084) 7.630 18.597 ( -3.822 -8.175 8.927) 12.693 19.274 ( 2.127 1.502 3.629) 4.466 19.442 ( 1.151 4.520 -0.093) 4.665 20.076 ( -0.511 0.966 -8.732) 8.800 20.439 ( -2.160 -5.395 8.204) 10.054 20.625 ( -3.495 -4.223 0.572) 5.512 20.736 ( -1.107 -1.412 -1.092) 2.100 21.054 ( 0.921 0.991 -11.043) 11.126 21.951 ( 1.230 3.387 -2.143) 4.192 22.150 ( -0.621 -1.076 -2.748) 3.016 28.872 ( 0.067 2.007 0.695) 2.125 29.653 ( -2.602 -2.083 3.656) 4.947 29.788 ( 0.829 -2.718 -0.393) 2.869 29.984 ( -4.222 -5.705 0.360) 7.107 36.592 ( 5.924 3.760 0.081) 7.017 36.740 ( 3.666 9.897 -3.965) 11.275 37.004 ( 4.444 8.465 -3.625) 10.225 38.554 ( 2.223 2.196 -1.530) 3.479 38.626 ( 1.685 7.229 -4.278) 8.567 40.931 ( -8.662 -15.311 16.545) 24.149 41.267 ( -3.467 -9.382 9.589) 13.856 42.352 ( -1.508 -0.762 -22.415) 22.479 ======================= Grid point 297 (82/85) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( -23.051 -7.839 -2.698) 24.496 3.760 ( 4.801 -23.054 7.408) 24.686 4.292 ( -0.300 11.006 -1.974) 11.186 5.240 ( -2.485 -2.053 39.458) 39.590 5.834 ( -8.597 2.589 -20.491) 22.372 5.878 ( 5.934 -1.625 0.461) 6.170 6.165 ( 4.179 5.607 -10.748) 12.822 6.543 ( 9.907 10.536 -3.316) 14.837 7.354 ( -16.377 -12.806 6.837) 21.885 7.892 ( -3.164 -14.641 -0.569) 14.989 8.086 ( -6.847 -3.429 1.696) 7.843 8.318 ( 2.709 2.126 -1.564) 3.782 8.526 ( 0.550 -2.711 2.296) 3.595 8.661 ( 6.655 9.798 -2.267) 12.059 8.975 ( -8.233 -10.168 6.992) 14.835 9.238 ( -8.791 -7.650 -13.810) 18.070 10.024 ( -17.463 -17.832 10.024) 26.897 10.250 ( -13.173 -7.650 -2.681) 15.468 10.358 ( -3.573 -14.421 -3.204) 15.198 10.743 ( -2.164 7.022 12.480) 14.483 10.815 ( -10.155 -4.076 -0.919) 10.981 11.002 ( -0.900 -5.424 -9.315) 10.816 11.245 ( 2.844 -8.572 0.192) 9.033 11.736 ( -17.866 13.230 6.638) 23.201 11.974 ( 5.171 0.715 1.736) 5.501 12.234 ( 15.607 -5.689 -5.944) 17.643 12.581 ( -1.444 -3.685 -2.160) 4.509 12.676 ( 6.238 11.074 -1.839) 12.842 13.229 ( 12.486 6.959 -2.580) 14.525 13.477 ( 8.516 16.722 -0.793) 18.782 13.903 ( 1.745 -7.555 -1.142) 7.838 14.727 ( -0.334 3.090 6.040) 6.793 14.825 ( 3.783 3.435 -0.033) 5.110 15.261 ( -12.752 -6.248 3.204) 14.557 15.978 ( -2.522 4.437 -2.561) 5.710 16.145 ( 17.142 1.992 -2.973) 17.512 18.228 ( 2.110 6.450 6.261) 9.233 18.376 ( 4.285 3.483 -2.205) 5.946 18.531 ( -5.725 -8.341 -0.829) 10.151 19.353 ( 2.018 0.369 0.565) 2.128 19.531 ( 3.939 6.203 2.061) 7.632 20.015 ( 2.423 3.689 -2.122) 4.897 20.493 ( -3.320 -3.423 3.874) 6.144 20.537 ( -3.925 -5.901 0.502) 7.104 20.728 ( -2.883 -1.250 5.379) 6.229 20.912 ( 2.578 1.898 -10.170) 10.662 21.922 ( 0.279 0.513 -2.304) 2.376 22.174 ( 2.750 3.421 1.368) 4.597 28.897 ( 0.487 1.354 0.747) 1.621 29.619 ( -5.216 -5.701 1.770) 7.927 29.768 ( -1.151 -0.754 -1.639) 2.139 29.884 ( -5.019 -6.534 0.686) 8.268 36.680 ( 2.352 7.574 -1.801) 8.133 36.854 ( 12.959 5.791 -0.196) 14.195 37.138 ( 9.355 14.604 -0.676) 17.357 38.616 ( 4.822 3.995 0.226) 6.266 38.649 ( 3.591 6.861 -1.568) 7.901 40.757 ( -16.591 -19.660 1.639) 25.777 41.417 ( -7.273 -11.564 17.731) 22.383 41.936 ( -4.976 -2.693 -19.992) 20.777 ======================= Grid point 305 (83/85) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( -0.000 -22.740 4.796) 23.240 3.990 ( 0.000 1.820 5.477) 5.771 4.221 ( -0.000 1.012 -11.066) 11.112 5.245 ( 0.000 -1.098 40.346) 40.361 5.855 ( -0.000 -1.444 -26.548) 26.587 5.933 ( 0.000 5.517 3.327) 6.443 6.068 ( -0.000 5.718 -15.649) 16.661 6.398 ( 0.000 13.624 -1.432) 13.699 7.635 ( -0.000 -22.576 -1.318) 22.615 7.990 ( -0.000 -8.513 5.097) 9.922 8.051 ( 0.000 2.755 11.902) 12.217 8.306 ( -0.000 -2.982 -8.271) 8.792 8.465 ( 0.000 4.060 4.462) 6.033 8.598 ( 0.000 4.371 -0.944) 4.472 9.069 ( 0.000 -9.368 10.754) 14.262 9.327 ( -0.000 -7.274 -18.747) 20.109 10.253 ( -0.000 -15.516 9.724) 18.311 10.364 ( -0.000 -18.006 -4.513) 18.563 10.494 ( -0.000 -4.139 -2.560) 4.867 10.715 ( 0.000 -2.295 12.166) 12.381 10.945 ( -0.000 -5.238 -7.627) 9.253 10.975 ( -0.000 -8.204 -7.030) 10.804 11.390 ( -0.000 0.616 -1.848) 1.948 11.684 ( -0.000 -1.447 -2.345) 2.755 11.996 ( -0.000 -0.589 -2.584) 2.650 12.176 ( 0.000 11.513 0.097) 11.514 12.593 ( 0.000 7.066 -3.803) 8.025 12.651 ( -0.000 -17.259 2.441) 17.430 13.069 ( 0.000 13.035 3.377) 13.465 13.351 ( 0.000 16.675 -6.306) 17.828 13.866 ( 0.000 -10.780 13.218) 17.056 14.721 ( 0.000 5.024 6.718) 8.389 14.763 ( 0.000 11.117 -6.637) 12.947 15.450 ( -0.000 -13.192 -6.006) 14.495 15.842 ( 0.000 1.533 8.682) 8.817 16.039 ( 0.000 9.903 2.172) 10.138 18.207 ( 0.000 10.674 5.981) 12.235 18.278 ( 0.000 6.659 -6.133) 9.053 18.644 ( -0.000 -15.448 3.537) 15.848 19.323 ( 0.000 1.745 2.773) 3.276 19.478 ( 0.000 7.280 -0.187) 7.282 19.986 ( -0.000 4.407 -4.421) 6.242 20.518 ( -0.000 -8.000 5.481) 9.697 20.618 ( -0.000 -4.120 -0.716) 4.182 20.761 ( 0.000 0.129 4.929) 4.931 20.881 ( -0.000 0.519 -10.818) 10.830 21.914 ( -0.000 1.929 -2.526) 3.179 22.150 ( 0.000 2.031 0.516) 2.096 28.889 ( 0.000 2.176 -0.276) 2.193 29.698 ( -0.000 -4.417 0.661) 4.466 29.748 ( -0.000 -3.039 0.852) 3.156 29.965 ( -0.000 -7.037 -0.360) 7.046 36.587 ( 0.000 3.190 1.294) 3.443 36.771 ( 0.000 15.715 -1.788) 15.816 37.002 ( 0.000 10.941 -1.333) 11.022 38.551 ( 0.000 3.695 0.572) 3.739 38.612 ( 0.000 8.124 -3.343) 8.785 40.974 ( -0.000 -23.038 2.112) 23.134 41.490 ( 0.000 -11.350 21.692) 24.482 41.994 ( -0.000 -0.855 -22.804) 22.821 ======================= Grid point 384 (84/85) ======================= q-point: ( 0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 0.000 -0.000 13.731) 13.731 3.908 ( -0.000 0.000 -2.355) 2.355 4.446 ( -0.000 0.000 -12.823) 12.823 4.595 ( 0.000 -0.000 39.979) 39.979 5.810 ( -0.000 0.000 -0.444) 0.444 6.144 ( -0.000 0.000 -0.103) 0.103 6.182 ( -0.000 0.000 -11.593) 11.593 6.385 ( -0.000 0.000 -28.515) 28.515 7.730 ( 0.000 -0.000 20.203) 20.203 7.882 ( 0.000 -0.000 17.516) 17.516 8.096 ( 0.000 -0.000 3.044) 3.044 8.323 ( -0.000 0.000 -1.170) 1.170 8.395 ( -0.000 0.000 -0.090) 0.090 8.503 ( 0.000 -0.000 1.793) 1.793 9.269 ( -0.000 0.000 -15.043) 15.043 9.723 ( -0.000 0.000 -18.619) 18.619 10.257 ( 0.000 -0.000 14.917) 14.917 10.352 ( 0.000 -0.000 12.418) 12.418 10.453 ( 0.000 -0.000 8.520) 8.520 10.832 ( 0.000 -0.000 7.682) 7.682 10.863 ( 0.000 -0.000 3.233) 3.233 11.416 ( -0.000 0.000 -10.235) 10.235 11.517 ( -0.000 0.000 -21.657) 21.657 11.781 ( 0.000 -0.000 7.471) 7.471 11.907 ( -0.000 0.000 -4.696) 4.696 12.288 ( -0.000 0.000 -16.501) 16.501 12.491 ( 0.000 -0.000 0.366) 0.366 12.882 ( -0.000 0.000 -0.257) 0.257 12.981 ( -0.000 0.000 -7.179) 7.179 13.396 ( -0.000 0.000 -0.049) 0.049 13.645 ( 0.000 -0.000 20.694) 20.694 14.417 ( 0.000 -0.000 15.511) 15.511 14.732 ( -0.000 0.000 -21.057) 21.057 15.575 ( 0.000 -0.000 13.821) 13.821 15.714 ( -0.000 0.000 -1.330) 1.330 15.885 ( 0.000 -0.000 3.825) 3.825 17.904 ( 0.000 -0.000 9.736) 9.736 18.281 ( -0.000 0.000 -6.067) 6.067 18.725 ( 0.000 -0.000 15.035) 15.035 19.244 ( 0.000 -0.000 2.454) 2.454 19.381 ( -0.000 0.000 -2.267) 2.267 20.074 ( -0.000 0.000 -11.867) 11.867 20.507 ( 0.000 -0.000 7.841) 7.841 20.697 ( 0.000 -0.000 0.325) 0.325 20.762 ( -0.000 0.000 -0.820) 0.820 21.039 ( -0.000 0.000 -10.884) 10.884 21.904 ( -0.000 0.000 -0.567) 0.567 22.170 ( -0.000 0.000 -5.137) 5.137 28.848 ( 0.000 -0.000 0.814) 0.814 29.682 ( 0.000 -0.000 4.422) 4.422 29.817 ( -0.000 0.000 -0.621) 0.621 30.078 ( 0.000 -0.000 0.721) 0.721 36.499 ( 0.000 -0.000 0.169) 0.169 36.610 ( -0.000 0.000 -4.408) 4.408 36.898 ( -0.000 0.000 -4.419) 4.419 38.522 ( -0.000 0.000 -2.530) 2.530 38.536 ( -0.000 0.000 -2.945) 2.945 41.157 ( 0.000 -0.000 27.668) 27.668 41.384 ( -0.000 0.000 -1.011) 1.011 42.360 ( -0.000 0.000 -21.165) 21.165 ======================= Grid point 387 (85/85) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -3.783 -2.184 -0.391) 4.386 4.005 ( -3.224 -1.861 12.017) 12.580 4.210 ( -2.732 -1.577 -12.416) 12.811 5.253 ( 0.892 0.515 42.212) 42.225 5.845 ( -0.335 -0.193 -9.290) 9.298 5.871 ( -1.249 -0.721 -18.496) 18.552 6.024 ( 3.650 2.107 -11.411) 12.164 6.232 ( 9.644 5.568 -2.343) 11.380 7.865 ( -18.232 -10.526 12.142) 24.303 8.094 ( 3.581 2.067 6.511) 7.713 8.135 ( -2.925 -1.689 3.340) 4.750 8.230 ( -2.344 -1.353 -4.312) 5.091 8.476 ( 4.247 2.452 -4.496) 6.653 8.496 ( 4.443 2.565 0.890) 5.207 9.168 ( -3.643 -2.103 7.637) 8.719 9.401 ( -2.622 -1.514 -19.253) 19.489 10.422 ( -7.330 -4.232 8.203) 11.787 10.494 ( -3.920 -2.263 2.222) 5.042 10.506 ( 1.500 0.866 5.881) 6.131 10.813 ( -11.628 -6.713 7.275) 15.271 10.999 ( -3.055 -1.764 2.365) 4.248 11.134 ( -4.915 -2.837 -18.080) 18.949 11.288 ( 7.465 4.310 -3.100) 9.161 11.732 ( -9.672 -5.584 1.796) 11.312 11.952 ( -0.052 -0.030 2.622) 2.623 12.122 ( 6.122 3.535 -8.037) 10.703 12.513 ( 2.032 1.173 -0.123) 2.349 12.869 ( -5.708 -3.295 2.793) 7.158 12.977 ( 8.430 4.867 -4.662) 10.792 13.205 ( -9.425 -5.441 -0.002) 10.883 14.067 ( -0.838 -0.484 12.545) 12.582 14.465 ( 11.894 6.867 -10.654) 17.382 14.663 ( 7.069 4.082 4.135) 9.151 15.576 ( -11.201 -6.467 2.226) 13.124 15.860 ( 10.105 5.834 5.060) 12.718 15.910 ( 2.799 1.616 -4.144) 5.255 18.080 ( 3.650 2.107 8.528) 9.513 18.210 ( 4.437 2.562 -7.166) 8.809 18.831 ( -9.251 -5.341 5.724) 12.119 19.314 ( 2.055 1.187 3.026) 3.846 19.374 ( 4.057 2.342 -1.528) 4.927 19.938 ( 1.684 0.972 -5.352) 5.694 20.607 ( -2.966 -1.712 6.590) 7.427 20.666 ( -3.161 -1.825 -1.227) 3.850 20.764 ( -0.743 -0.429 3.500) 3.604 20.877 ( 0.480 0.277 -10.114) 10.130 21.887 ( 1.259 0.727 -1.821) 2.330 22.138 ( 0.114 0.066 -0.089) 0.159 28.864 ( 0.888 0.513 0.318) 1.073 29.732 ( -1.982 -1.144 3.385) 4.086 29.786 ( -0.574 -0.332 -2.211) 2.308 30.050 ( -4.265 -2.462 0.263) 4.932 36.550 ( 3.602 2.080 0.683) 4.215 36.598 ( 6.485 3.744 -2.190) 7.802 36.888 ( 4.471 2.582 -1.365) 5.341 38.516 ( 2.439 1.408 -0.143) 2.820 38.524 ( 2.443 1.410 -1.713) 3.300 41.245 ( -13.690 -7.904 1.854) 15.916 41.590 ( -0.975 -0.563 24.346) 24.372 41.992 ( -0.766 -0.442 -25.075) 25.091 =================== 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 3/43740 10.0 2483.580 2483.580 1977.805 0.000 -0.000 0.000 3/43740 20.0 697.245 697.245 869.138 0.000 -0.000 0.000 3/43740 30.0 324.055 324.055 386.803 0.000 -0.000 0.000 3/43740 40.0 184.280 184.280 218.366 0.000 -0.000 0.000 3/43740 50.0 119.441 119.441 140.816 0.000 -0.000 0.000 3/43740 60.0 84.790 84.790 99.113 0.000 -0.000 0.000 3/43740 70.0 64.183 64.183 74.178 0.000 -0.000 0.000 3/43740 80.0 50.900 50.900 58.088 0.000 -0.000 0.000 3/43740 90.0 41.795 41.795 47.099 0.000 -0.000 0.000 3/43740 100.0 35.252 35.252 39.255 0.000 -0.000 0.000 3/43740 110.0 30.368 30.368 33.452 0.000 -0.000 0.000 3/43740 120.0 26.610 26.610 29.031 0.000 -0.000 0.000 3/43740 130.0 23.645 23.645 25.579 0.000 -0.000 0.000 3/43740 140.0 21.255 21.255 22.824 0.000 -0.000 0.000 3/43740 150.0 19.294 19.294 20.585 0.000 -0.000 0.000 3/43740 160.0 17.659 17.659 18.736 0.000 -0.000 0.000 3/43740 170.0 16.277 16.277 17.187 0.000 -0.000 0.000 3/43740 180.0 15.096 15.096 15.873 0.000 -0.000 0.000 3/43740 190.0 14.075 14.075 14.745 0.000 -0.000 0.000 3/43740 200.0 13.184 13.184 13.769 0.000 -0.000 0.000 3/43740 210.0 12.401 12.401 12.916 0.000 -0.000 0.000 3/43740 220.0 11.708 11.708 12.164 0.000 -0.000 0.000 3/43740 230.0 11.089 11.089 11.497 0.000 -0.000 0.000 3/43740 240.0 10.534 10.534 10.901 0.000 -0.000 0.000 3/43740 250.0 10.033 10.033 10.367 0.000 -0.000 0.000 3/43740 260.0 9.579 9.579 9.884 0.000 -0.000 0.000 3/43740 270.0 9.166 9.166 9.446 0.000 -0.000 0.000 3/43740 280.0 8.787 8.787 9.047 0.000 -0.000 0.000 3/43740 290.0 8.440 8.440 8.681 0.000 -0.000 0.000 3/43740 300.0 8.121 8.121 8.346 0.000 -0.000 0.000 3/43740 310.0 7.825 7.825 8.037 0.000 -0.000 0.000 3/43740 320.0 7.551 7.551 7.751 0.000 -0.000 0.000 3/43740 330.0 7.296 7.296 7.486 0.000 -0.000 0.000 3/43740 340.0 7.059 7.059 7.239 0.000 -0.000 0.000 3/43740 350.0 6.837 6.837 7.010 0.000 -0.000 0.000 3/43740 360.0 6.630 6.630 6.795 0.000 -0.000 0.000 3/43740 370.0 6.435 6.435 6.594 0.000 -0.000 0.000 3/43740 380.0 6.252 6.252 6.405 0.000 -0.000 0.000 3/43740 390.0 6.079 6.079 6.227 0.000 -0.000 0.000 3/43740 400.0 5.916 5.916 6.060 0.000 -0.000 0.000 3/43740 410.0 5.762 5.762 5.902 0.000 -0.000 0.000 3/43740 420.0 5.616 5.616 5.753 0.000 -0.000 0.000 3/43740 430.0 5.478 5.478 5.611 0.000 -0.000 0.000 3/43740 440.0 5.346 5.346 5.477 0.000 -0.000 0.000 3/43740 450.0 5.221 5.221 5.349 0.000 -0.000 0.000 3/43740 460.0 5.102 5.102 5.228 0.000 -0.000 0.000 3/43740 470.0 4.989 4.989 5.112 0.000 -0.000 0.000 3/43740 480.0 4.880 4.880 5.002 0.000 -0.000 0.000 3/43740 490.0 4.777 4.777 4.897 0.000 -0.000 0.000 3/43740 500.0 4.678 4.678 4.796 0.000 -0.000 0.000 3/43740 510.0 4.583 4.583 4.700 0.000 -0.000 0.000 3/43740 520.0 4.492 4.492 4.608 0.000 -0.000 0.000 3/43740 530.0 4.405 4.405 4.519 0.000 -0.000 0.000 3/43740 540.0 4.321 4.321 4.434 0.000 -0.000 0.000 3/43740 550.0 4.241 4.241 4.352 0.000 -0.000 0.000 3/43740 560.0 4.164 4.164 4.274 0.000 -0.000 0.000 3/43740 570.0 4.089 4.089 4.198 0.000 -0.000 0.000 3/43740 580.0 4.017 4.017 4.126 0.000 -0.000 0.000 3/43740 590.0 3.948 3.948 4.055 0.000 -0.000 0.000 3/43740 600.0 3.881 3.881 3.988 0.000 -0.000 0.000 3/43740 610.0 3.817 3.817 3.922 0.000 -0.000 0.000 3/43740 620.0 3.754 3.754 3.859 0.000 -0.000 0.000 3/43740 630.0 3.694 3.694 3.798 0.000 -0.000 0.000 3/43740 640.0 3.636 3.636 3.739 0.000 -0.000 0.000 3/43740 650.0 3.580 3.580 3.682 0.000 -0.000 0.000 3/43740 660.0 3.525 3.525 3.627 0.000 -0.000 0.000 3/43740 670.0 3.472 3.472 3.573 0.000 -0.000 0.000 3/43740 680.0 3.421 3.421 3.521 0.000 -0.000 0.000 3/43740 690.0 3.371 3.371 3.471 0.000 -0.000 0.000 3/43740 700.0 3.323 3.323 3.422 0.000 -0.000 0.000 3/43740 710.0 3.276 3.276 3.374 0.000 -0.000 0.000 3/43740 720.0 3.230 3.230 3.328 0.000 -0.000 0.000 3/43740 730.0 3.186 3.186 3.283 0.000 -0.000 0.000 3/43740 740.0 3.143 3.143 3.240 0.000 -0.000 0.000 3/43740 750.0 3.101 3.101 3.197 0.000 -0.000 0.000 3/43740 760.0 3.061 3.061 3.156 0.000 -0.000 0.000 3/43740 770.0 3.021 3.021 3.116 0.000 -0.000 0.000 3/43740 780.0 2.982 2.982 3.077 0.000 -0.000 0.000 3/43740 790.0 2.945 2.945 3.038 0.000 -0.000 0.000 3/43740 800.0 2.908 2.908 3.001 0.000 -0.000 0.000 3/43740 810.0 2.872 2.872 2.965 0.000 -0.000 0.000 3/43740 820.0 2.838 2.838 2.929 0.000 -0.000 0.000 3/43740 830.0 2.804 2.804 2.895 0.000 -0.000 0.000 3/43740 840.0 2.770 2.770 2.861 0.000 -0.000 0.000 3/43740 850.0 2.738 2.738 2.828 0.000 -0.000 0.000 3/43740 860.0 2.707 2.707 2.796 0.000 -0.000 0.000 3/43740 870.0 2.676 2.676 2.765 0.000 -0.000 0.000 3/43740 880.0 2.646 2.646 2.734 0.000 -0.000 0.000 3/43740 890.0 2.616 2.616 2.704 0.000 -0.000 0.000 3/43740 900.0 2.587 2.587 2.675 0.000 -0.000 0.000 3/43740 910.0 2.559 2.559 2.646 0.000 -0.000 0.000 3/43740 920.0 2.532 2.532 2.618 0.000 -0.000 0.000 3/43740 930.0 2.505 2.505 2.591 0.000 -0.000 0.000 3/43740 940.0 2.478 2.478 2.564 0.000 -0.000 0.000 3/43740 950.0 2.453 2.453 2.537 0.000 -0.000 0.000 3/43740 960.0 2.427 2.427 2.512 0.000 -0.000 0.000 3/43740 970.0 2.403 2.403 2.486 0.000 -0.000 0.000 3/43740 980.0 2.378 2.378 2.462 0.000 -0.000 0.000 3/43740 990.0 2.355 2.355 2.438 0.000 -0.000 0.000 3/43740 1000.0 2.331 2.331 2.414 0.000 -0.000 0.000 3/43740 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:12:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|