----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:34:04]------------------------- 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: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.041609900232803 0.000000000000000 0.000000000000000 b 0.000000000000000 4.994091219999999 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): *1 Ga 0.10539845370997 0.23936001805454 0.07020130223352 69.723 2 Ga 0.89460154629003 0.73936001805454 0.42979869776648 69.723 3 Ga 0.10539845370997 0.26063998194546 0.57020130223352 69.723 4 Ga 0.89460154629003 0.76063998194546 0.92979869776648 69.723 *5 Te 0.32502832721565 0.28960820406625 0.32792352929703 127.600 6 Te 0.67497167278435 0.78960820406625 0.17207647070297 127.600 7 Te 0.32502832721565 0.21039179593375 0.82792352929703 127.600 8 Te 0.67497167278435 0.71039179593375 0.67207647070297 127.600 *9 O 0.13175939912499 0.43481567951973 0.43240181090422 15.999 *10 O 0.45014883370038 0.39147840397934 0.66540548189961 15.999 *11 O 0.93503518966690 0.57709846872744 0.80000034420082 15.999 12 O 0.45014883370038 0.10852159602066 0.16540548189960 15.999 13 O 0.54985116629962 0.60852159602066 0.33459451810039 15.999 14 O 0.54985116629962 0.89147840397934 0.83459451810039 15.999 15 O 0.06496481033310 0.07709846872744 0.69999965579918 15.999 16 O 0.86824060087501 0.56518432048027 0.56759818909578 15.999 17 O 0.13175939912499 0.06518432048027 0.93240181090422 15.999 18 O 0.06496481033310 0.42290153127256 0.19999965579918 15.999 19 O 0.93503518966690 0.92290153127256 0.30000034420082 15.999 20 O 0.86824060087501 0.93481567951973 0.06759818909578 15.999 *21 F 0.24174043559891 0.93646231801425 0.51385179337633 18.998 22 F 0.75825956440109 0.43646231801425 0.98614820662367 18.998 23 F 0.24174043559891 0.56353768198575 0.01385179337633 18.998 24 F 0.75825956440109 0.06353768198575 0.48614820662367 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.041609900232803 0.000000000000000 0.000000000000000 b 0.000000000000000 4.994091219999999 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): *1 Ga 0.10539845370997 0.23936001805454 0.07020130223352 69.723 > 1 2 Ga 0.89460154629003 0.73936001805454 0.42979869776648 69.723 > 2 3 Ga 0.10539845370997 0.26063998194546 0.57020130223352 69.723 > 3 4 Ga 0.89460154629003 0.76063998194546 0.92979869776648 69.723 > 4 *5 Te 0.32502832721565 0.28960820406625 0.32792352929703 127.600 > 5 6 Te 0.67497167278435 0.78960820406625 0.17207647070297 127.600 > 6 7 Te 0.32502832721565 0.21039179593375 0.82792352929703 127.600 > 7 8 Te 0.67497167278435 0.71039179593375 0.67207647070297 127.600 > 8 *9 O 0.13175939912499 0.43481567951973 0.43240181090422 15.999 > 9 *10 O 0.45014883370038 0.39147840397934 0.66540548189961 15.999 > 10 *11 O 0.93503518966690 0.57709846872744 0.80000034420082 15.999 > 11 12 O 0.45014883370038 0.10852159602066 0.16540548189960 15.999 > 12 13 O 0.54985116629962 0.60852159602066 0.33459451810039 15.999 > 13 14 O 0.54985116629962 0.89147840397934 0.83459451810039 15.999 > 14 15 O 0.06496481033310 0.07709846872744 0.69999965579918 15.999 > 15 16 O 0.86824060087501 0.56518432048027 0.56759818909578 15.999 > 16 17 O 0.13175939912499 0.06518432048027 0.93240181090422 15.999 > 17 18 O 0.06496481033310 0.42290153127256 0.19999965579918 15.999 > 18 19 O 0.93503518966690 0.92290153127256 0.30000034420082 15.999 > 19 20 O 0.86824060087501 0.93481567951973 0.06759818909578 15.999 > 20 *21 F 0.24174043559891 0.93646231801425 0.51385179337633 18.998 > 21 22 F 0.75825956440109 0.43646231801425 0.98614820662367 18.998 > 22 23 F 0.24174043559891 0.56353768198575 0.01385179337633 18.998 > 23 24 F 0.75825956440109 0.06353768198575 0.48614820662367 18.998 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.083219800465606 0.000000000000000 0.000000000000000 b 0.000000000000000 14.982273659999997 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): *1 Ga 0.05269922685499 0.07978667268485 0.07020130223352 69.723 > 1 2 Ga 0.55269922685498 0.07978667268485 0.07020130223352 69.723 > 1 3 Ga 0.05269922685499 0.41312000601818 0.07020130223352 69.723 > 1 4 Ga 0.55269922685498 0.41312000601818 0.07020130223352 69.723 > 1 5 Ga 0.05269922685499 0.74645333935151 0.07020130223352 69.723 > 1 6 Ga 0.55269922685498 0.74645333935151 0.07020130223352 69.723 > 1 7 Ga 0.44730077314502 0.24645333935151 0.42979869776648 69.723 > 2 8 Ga 0.94730077314502 0.24645333935151 0.42979869776648 69.723 > 2 9 Ga 0.44730077314502 0.57978667268485 0.42979869776648 69.723 > 2 10 Ga 0.94730077314502 0.57978667268485 0.42979869776648 69.723 > 2 11 Ga 0.44730077314502 0.91312000601818 0.42979869776648 69.723 > 2 12 Ga 0.94730077314502 0.91312000601818 0.42979869776648 69.723 > 2 13 Ga 0.05269922685499 0.08687999398182 0.57020130223352 69.723 > 3 14 Ga 0.55269922685498 0.08687999398182 0.57020130223352 69.723 > 3 15 Ga 0.05269922685499 0.42021332731515 0.57020130223352 69.723 > 3 16 Ga 0.55269922685498 0.42021332731515 0.57020130223352 69.723 > 3 17 Ga 0.05269922685499 0.75354666064849 0.57020130223352 69.723 > 3 18 Ga 0.55269922685498 0.75354666064849 0.57020130223352 69.723 > 3 19 Ga 0.44730077314502 0.25354666064849 0.92979869776648 69.723 > 4 20 Ga 0.94730077314502 0.25354666064849 0.92979869776648 69.723 > 4 21 Ga 0.44730077314502 0.58687999398182 0.92979869776648 69.723 > 4 22 Ga 0.94730077314502 0.58687999398182 0.92979869776648 69.723 > 4 23 Ga 0.44730077314502 0.92021332731515 0.92979869776648 69.723 > 4 24 Ga 0.94730077314502 0.92021332731515 0.92979869776648 69.723 > 4 *25 Te 0.16251416360783 0.09653606802208 0.32792352929703 127.600 > 5 26 Te 0.66251416360783 0.09653606802208 0.32792352929703 127.600 > 5 27 Te 0.16251416360783 0.42986940135542 0.32792352929703 127.600 > 5 28 Te 0.66251416360783 0.42986940135542 0.32792352929703 127.600 > 5 29 Te 0.16251416360783 0.76320273468875 0.32792352929703 127.600 > 5 30 Te 0.66251416360783 0.76320273468875 0.32792352929703 127.600 > 5 31 Te 0.33748583639217 0.26320273468875 0.17207647070297 127.600 > 6 32 Te 0.83748583639217 0.26320273468875 0.17207647070297 127.600 > 6 33 Te 0.33748583639217 0.59653606802208 0.17207647070297 127.600 > 6 34 Te 0.83748583639217 0.59653606802208 0.17207647070297 127.600 > 6 35 Te 0.33748583639217 0.92986940135542 0.17207647070297 127.600 > 6 36 Te 0.83748583639217 0.92986940135542 0.17207647070297 127.600 > 6 37 Te 0.16251416360783 0.07013059864458 0.82792352929703 127.600 > 7 38 Te 0.66251416360783 0.07013059864458 0.82792352929703 127.600 > 7 39 Te 0.16251416360783 0.40346393197792 0.82792352929703 127.600 > 7 40 Te 0.66251416360783 0.40346393197792 0.82792352929703 127.600 > 7 41 Te 0.16251416360783 0.73679726531125 0.82792352929703 127.600 > 7 42 Te 0.66251416360783 0.73679726531125 0.82792352929703 127.600 > 7 43 Te 0.33748583639217 0.23679726531125 0.67207647070297 127.600 > 8 44 Te 0.83748583639217 0.23679726531125 0.67207647070297 127.600 > 8 45 Te 0.33748583639217 0.57013059864458 0.67207647070297 127.600 > 8 46 Te 0.83748583639217 0.57013059864458 0.67207647070297 127.600 > 8 47 Te 0.33748583639217 0.90346393197792 0.67207647070297 127.600 > 8 48 Te 0.83748583639217 0.90346393197792 0.67207647070297 127.600 > 8 *49 O 0.06587969956249 0.14493855983991 0.43240181090422 15.999 > 9 50 O 0.56587969956249 0.14493855983991 0.43240181090422 15.999 > 9 51 O 0.06587969956249 0.47827189317324 0.43240181090422 15.999 > 9 52 O 0.56587969956249 0.47827189317324 0.43240181090422 15.999 > 9 53 O 0.06587969956249 0.81160522650658 0.43240181090422 15.999 > 9 54 O 0.56587969956249 0.81160522650658 0.43240181090422 15.999 > 9 *55 O 0.22507441685019 0.13049280132645 0.66540548189961 15.999 > 10 56 O 0.72507441685019 0.13049280132645 0.66540548189961 15.999 > 10 57 O 0.22507441685019 0.46382613465978 0.66540548189961 15.999 > 10 58 O 0.72507441685019 0.46382613465978 0.66540548189961 15.999 > 10 59 O 0.22507441685019 0.79715946799311 0.66540548189961 15.999 > 10 60 O 0.72507441685019 0.79715946799311 0.66540548189961 15.999 > 10 *61 O 0.46751759483345 0.19236615624248 0.80000034420082 15.999 > 11 62 O 0.96751759483345 0.19236615624248 0.80000034420082 15.999 > 11 63 O 0.46751759483345 0.52569948957581 0.80000034420082 15.999 > 11 64 O 0.96751759483345 0.52569948957581 0.80000034420082 15.999 > 11 65 O 0.46751759483345 0.85903282290915 0.80000034420082 15.999 > 11 66 O 0.96751759483345 0.85903282290915 0.80000034420082 15.999 > 11 67 O 0.22507441685019 0.03617386534022 0.16540548189960 15.999 > 12 68 O 0.72507441685019 0.03617386534022 0.16540548189960 15.999 > 12 69 O 0.22507441685019 0.36950719867355 0.16540548189960 15.999 > 12 70 O 0.72507441685019 0.36950719867355 0.16540548189960 15.999 > 12 71 O 0.22507441685019 0.70284053200689 0.16540548189960 15.999 > 12 72 O 0.72507441685019 0.70284053200689 0.16540548189960 15.999 > 12 73 O 0.27492558314981 0.20284053200689 0.33459451810039 15.999 > 13 74 O 0.77492558314981 0.20284053200689 0.33459451810039 15.999 > 13 75 O 0.27492558314981 0.53617386534022 0.33459451810039 15.999 > 13 76 O 0.77492558314981 0.53617386534022 0.33459451810039 15.999 > 13 77 O 0.27492558314981 0.86950719867355 0.33459451810039 15.999 > 13 78 O 0.77492558314981 0.86950719867355 0.33459451810039 15.999 > 13 79 O 0.27492558314981 0.29715946799311 0.83459451810039 15.999 > 14 80 O 0.77492558314981 0.29715946799311 0.83459451810039 15.999 > 14 81 O 0.27492558314981 0.63049280132645 0.83459451810039 15.999 > 14 82 O 0.77492558314981 0.63049280132645 0.83459451810039 15.999 > 14 83 O 0.27492558314981 0.96382613465978 0.83459451810039 15.999 > 14 84 O 0.77492558314981 0.96382613465978 0.83459451810039 15.999 > 14 85 O 0.03248240516655 0.02569948957581 0.69999965579918 15.999 > 15 86 O 0.53248240516655 0.02569948957581 0.69999965579918 15.999 > 15 87 O 0.03248240516655 0.35903282290915 0.69999965579918 15.999 > 15 88 O 0.53248240516655 0.35903282290915 0.69999965579918 15.999 > 15 89 O 0.03248240516655 0.69236615624248 0.69999965579918 15.999 > 15 90 O 0.53248240516655 0.69236615624248 0.69999965579918 15.999 > 15 91 O 0.43412030043750 0.18839477349342 0.56759818909578 15.999 > 16 92 O 0.93412030043750 0.18839477349342 0.56759818909578 15.999 > 16 93 O 0.43412030043750 0.52172810682676 0.56759818909578 15.999 > 16 94 O 0.93412030043750 0.52172810682676 0.56759818909578 15.999 > 16 95 O 0.43412030043750 0.85506144016009 0.56759818909578 15.999 > 16 96 O 0.93412030043750 0.85506144016009 0.56759818909578 15.999 > 16 97 O 0.06587969956249 0.02172810682676 0.93240181090422 15.999 > 17 98 O 0.56587969956249 0.02172810682676 0.93240181090422 15.999 > 17 99 O 0.06587969956249 0.35506144016009 0.93240181090422 15.999 > 17 100 O 0.56587969956249 0.35506144016009 0.93240181090422 15.999 > 17 101 O 0.06587969956249 0.68839477349342 0.93240181090422 15.999 > 17 102 O 0.56587969956249 0.68839477349342 0.93240181090422 15.999 > 17 103 O 0.03248240516655 0.14096717709085 0.19999965579918 15.999 > 18 104 O 0.53248240516655 0.14096717709085 0.19999965579918 15.999 > 18 105 O 0.03248240516655 0.47430051042419 0.19999965579918 15.999 > 18 106 O 0.53248240516655 0.47430051042419 0.19999965579918 15.999 > 18 107 O 0.03248240516655 0.80763384375752 0.19999965579918 15.999 > 18 108 O 0.53248240516655 0.80763384375752 0.19999965579918 15.999 > 18 109 O 0.46751759483345 0.30763384375752 0.30000034420082 15.999 > 19 110 O 0.96751759483345 0.30763384375752 0.30000034420082 15.999 > 19 111 O 0.46751759483345 0.64096717709085 0.30000034420082 15.999 > 19 112 O 0.96751759483345 0.64096717709085 0.30000034420082 15.999 > 19 113 O 0.46751759483345 0.97430051042419 0.30000034420082 15.999 > 19 114 O 0.96751759483345 0.97430051042419 0.30000034420082 15.999 > 19 115 O 0.43412030043750 0.31160522650658 0.06759818909578 15.999 > 20 116 O 0.93412030043750 0.31160522650658 0.06759818909578 15.999 > 20 117 O 0.43412030043750 0.64493855983991 0.06759818909578 15.999 > 20 118 O 0.93412030043750 0.64493855983991 0.06759818909578 15.999 > 20 119 O 0.43412030043750 0.97827189317324 0.06759818909578 15.999 > 20 120 O 0.93412030043750 0.97827189317324 0.06759818909578 15.999 > 20 *121 F 0.12087021779946 0.31215410600475 0.51385179337633 18.998 > 21 122 F 0.62087021779946 0.31215410600475 0.51385179337633 18.998 > 21 123 F 0.12087021779946 0.64548743933808 0.51385179337633 18.998 > 21 124 F 0.62087021779946 0.64548743933808 0.51385179337633 18.998 > 21 125 F 0.12087021779946 0.97882077267142 0.51385179337633 18.998 > 21 126 F 0.62087021779946 0.97882077267142 0.51385179337633 18.998 > 21 127 F 0.37912978220054 0.14548743933808 0.98614820662367 18.998 > 22 128 F 0.87912978220054 0.14548743933808 0.98614820662367 18.998 > 22 129 F 0.37912978220054 0.47882077267142 0.98614820662367 18.998 > 22 130 F 0.87912978220054 0.47882077267142 0.98614820662367 18.998 > 22 131 F 0.37912978220054 0.81215410600475 0.98614820662367 18.998 > 22 132 F 0.87912978220054 0.81215410600475 0.98614820662367 18.998 > 22 133 F 0.12087021779946 0.18784589399525 0.01385179337633 18.998 > 23 134 F 0.62087021779946 0.18784589399525 0.01385179337633 18.998 > 23 135 F 0.12087021779946 0.52117922732858 0.01385179337633 18.998 > 23 136 F 0.62087021779946 0.52117922732858 0.01385179337633 18.998 > 23 137 F 0.12087021779946 0.85451256066192 0.01385179337633 18.998 > 23 138 F 0.62087021779946 0.85451256066192 0.01385179337633 18.998 > 23 139 F 0.37912978220054 0.02117922732858 0.48614820662367 18.998 > 24 140 F 0.87912978220054 0.02117922732858 0.48614820662367 18.998 > 24 141 F 0.37912978220054 0.35451256066192 0.48614820662367 18.998 > 24 142 F 0.87912978220054 0.35451256066192 0.48614820662367 18.998 > 24 143 F 0.37912978220054 0.68784589399525 0.48614820662367 18.998 > 24 144 F 0.87912978220054 0.68784589399525 0.48614820662367 18.998 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5621141 0.0000000 -0.3234424 0.0000000 4.1317911 0.0000000 -0.3234391 0.0000000 4.3880180 -------------------------- Born effective charges -------------------------- 1 Ga 3.2511810 0.1155043 0.1832393 -0.1491717 3.2231974 -0.0391532 -0.1270445 -0.0157484 3.9902417 2 Ga 3.2511810 -0.1155043 0.1832393 0.1491717 3.2231974 0.0391532 -0.1270445 0.0157484 3.9902417 3 Ga 3.2511810 -0.1155043 0.1832393 0.1491717 3.2231974 0.0391532 -0.1270445 0.0157484 3.9902417 4 Ga 3.2511810 0.1155043 0.1832393 -0.1491717 3.2231974 -0.0391532 -0.1270445 -0.0157484 3.9902417 5 Te 4.8901261 0.7135957 -0.7791965 0.3713469 4.1607364 0.7239983 -0.7039809 0.5293060 4.2386179 6 Te 4.8901261 -0.7135957 -0.7791965 -0.3713469 4.1607364 -0.7239983 -0.7039809 -0.5293060 4.2386179 7 Te 4.8901261 -0.7135957 -0.7791965 -0.3713469 4.1607364 -0.7239983 -0.7039809 -0.5293060 4.2386179 8 Te 4.8901261 0.7135957 -0.7791965 0.3713469 4.1607364 0.7239983 -0.7039809 0.5293060 4.2386179 9 O -2.4803144 0.9158466 1.1138483 0.5787702 -1.7197358 -0.1160269 1.4384588 -0.4849540 -2.6981436 10 O -2.4830105 -1.8908073 0.3224129 -1.2415860 -2.4686305 0.3870446 0.0843130 0.1193181 -1.7712755 11 O -1.8936724 0.6653032 -0.5171824 0.7013371 -1.6979811 -0.0227820 -0.3698720 0.2250184 -2.2010584 12 O -2.4830105 1.8908073 0.3224129 1.2415860 -2.4686305 -0.3870446 0.0843130 -0.1193181 -1.7712755 13 O -2.4830105 -1.8908073 0.3224129 -1.2415860 -2.4686305 0.3870446 0.0843130 0.1193181 -1.7712755 14 O -2.4830105 1.8908073 0.3224129 1.2415860 -2.4686305 -0.3870446 0.0843130 -0.1193181 -1.7712755 15 O -1.8936724 -0.6653032 -0.5171824 -0.7013371 -1.6979811 0.0227820 -0.3698720 -0.2250184 -2.2010584 16 O -2.4803144 0.9158466 1.1138483 0.5787702 -1.7197358 -0.1160269 1.4384588 -0.4849540 -2.6981436 17 O -2.4803144 -0.9158466 1.1138483 -0.5787702 -1.7197358 0.1160269 1.4384588 0.4849540 -2.6981436 18 O -1.8936724 0.6653032 -0.5171824 0.7013371 -1.6979811 -0.0227820 -0.3698720 0.2250184 -2.2010584 19 O -1.8936724 -0.6653032 -0.5171824 -0.7013371 -1.6979811 0.0227820 -0.3698720 -0.2250184 -2.2010584 20 O -2.4803144 -0.9158466 1.1138483 -0.5787702 -1.7197358 0.1160269 1.4384588 0.4849540 -2.6981436 21 F -1.2843097 0.0612282 -0.3231215 0.0157729 -1.4975865 -0.0862452 -0.3218744 -0.0597306 -1.5583821 22 F -1.2843097 -0.0612282 -0.3231215 -0.0157729 -1.4975865 0.0862452 -0.3218744 0.0597306 -1.5583821 23 F -1.2843097 -0.0612282 -0.3231215 -0.0157729 -1.4975865 0.0862452 -0.3218744 0.0597306 -1.5583821 24 F -1.2843097 0.0612282 -0.3231215 0.0157729 -1.4975865 -0.0862452 -0.3218744 -0.0597306 -1.5583821 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.455 Solver_block: 200 / 720 - Time: 1.313 Solver_block: 300 / 720 - Time: 1.318 Solver_block: 400 / 720 - Time: 1.317 Solver_block: 500 / 720 - Time: 1.321 Solver_block: 600 / 720 - Time: 1.316 Solver_block: 700 / 720 - Time: 1.316 Solver_block: 720 / 720 - Time: 0.407 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.984 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:34:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:34:54]------------------------- 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): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.041609900232803 0.000000000000000 0.000000000000000 b 0.000000000000000 4.994091219999999 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): 1 Ga 0.10539845370997 0.23936001805454 0.07020130223352 69.723 2 Ga 0.89460154629003 0.73936001805454 0.42979869776648 69.723 3 Ga 0.10539845370997 0.26063998194546 0.57020130223352 69.723 4 Ga 0.89460154629003 0.76063998194546 0.92979869776648 69.723 5 Te 0.32502832721565 0.28960820406625 0.32792352929703 127.600 6 Te 0.67497167278435 0.78960820406625 0.17207647070297 127.600 7 Te 0.32502832721565 0.21039179593375 0.82792352929703 127.600 8 Te 0.67497167278435 0.71039179593375 0.67207647070297 127.600 9 O 0.13175939912499 0.43481567951973 0.43240181090422 15.999 10 O 0.45014883370038 0.39147840397934 0.66540548189961 15.999 11 O 0.93503518966690 0.57709846872744 0.80000034420082 15.999 12 O 0.45014883370038 0.10852159602066 0.16540548189960 15.999 13 O 0.54985116629962 0.60852159602066 0.33459451810039 15.999 14 O 0.54985116629962 0.89147840397934 0.83459451810039 15.999 15 O 0.06496481033310 0.07709846872744 0.69999965579918 15.999 16 O 0.86824060087501 0.56518432048027 0.56759818909578 15.999 17 O 0.13175939912499 0.06518432048027 0.93240181090422 15.999 18 O 0.06496481033310 0.42290153127256 0.19999965579918 15.999 19 O 0.93503518966690 0.92290153127256 0.30000034420082 15.999 20 O 0.86824060087501 0.93481567951973 0.06759818909578 15.999 21 F 0.24174043559891 0.93646231801425 0.51385179337633 18.998 22 F 0.75825956440109 0.43646231801425 0.98614820662367 18.998 23 F 0.24174043559891 0.56353768198575 0.01385179337633 18.998 24 F 0.75825956440109 0.06353768198575 0.48614820662367 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.083219800465606 0.000000000000000 0.000000000000000 b 0.000000000000000 14.982273659999997 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): 1 Ga 0.05269922685499 0.07978667268485 0.07020130223352 69.723 > 1 2 Ga 0.55269922685498 0.07978667268485 0.07020130223352 69.723 > 1 3 Ga 0.05269922685499 0.41312000601818 0.07020130223352 69.723 > 1 4 Ga 0.55269922685498 0.41312000601818 0.07020130223352 69.723 > 1 5 Ga 0.05269922685499 0.74645333935151 0.07020130223352 69.723 > 1 6 Ga 0.55269922685498 0.74645333935151 0.07020130223352 69.723 > 1 7 Ga 0.44730077314502 0.24645333935151 0.42979869776648 69.723 > 7 8 Ga 0.94730077314502 0.24645333935151 0.42979869776648 69.723 > 7 9 Ga 0.44730077314502 0.57978667268485 0.42979869776648 69.723 > 7 10 Ga 0.94730077314502 0.57978667268485 0.42979869776648 69.723 > 7 11 Ga 0.44730077314502 0.91312000601818 0.42979869776648 69.723 > 7 12 Ga 0.94730077314502 0.91312000601818 0.42979869776648 69.723 > 7 13 Ga 0.05269922685499 0.08687999398182 0.57020130223352 69.723 > 13 14 Ga 0.55269922685498 0.08687999398182 0.57020130223352 69.723 > 13 15 Ga 0.05269922685499 0.42021332731515 0.57020130223352 69.723 > 13 16 Ga 0.55269922685498 0.42021332731515 0.57020130223352 69.723 > 13 17 Ga 0.05269922685499 0.75354666064849 0.57020130223352 69.723 > 13 18 Ga 0.55269922685498 0.75354666064849 0.57020130223352 69.723 > 13 19 Ga 0.44730077314502 0.25354666064849 0.92979869776648 69.723 > 19 20 Ga 0.94730077314502 0.25354666064849 0.92979869776648 69.723 > 19 21 Ga 0.44730077314502 0.58687999398182 0.92979869776648 69.723 > 19 22 Ga 0.94730077314502 0.58687999398182 0.92979869776648 69.723 > 19 23 Ga 0.44730077314502 0.92021332731515 0.92979869776648 69.723 > 19 24 Ga 0.94730077314502 0.92021332731515 0.92979869776648 69.723 > 19 25 Te 0.16251416360783 0.09653606802208 0.32792352929703 127.600 > 25 26 Te 0.66251416360783 0.09653606802208 0.32792352929703 127.600 > 25 27 Te 0.16251416360783 0.42986940135542 0.32792352929703 127.600 > 25 28 Te 0.66251416360783 0.42986940135542 0.32792352929703 127.600 > 25 29 Te 0.16251416360783 0.76320273468875 0.32792352929703 127.600 > 25 30 Te 0.66251416360783 0.76320273468875 0.32792352929703 127.600 > 25 31 Te 0.33748583639217 0.26320273468875 0.17207647070297 127.600 > 31 32 Te 0.83748583639217 0.26320273468875 0.17207647070297 127.600 > 31 33 Te 0.33748583639217 0.59653606802208 0.17207647070297 127.600 > 31 34 Te 0.83748583639217 0.59653606802208 0.17207647070297 127.600 > 31 35 Te 0.33748583639217 0.92986940135542 0.17207647070297 127.600 > 31 36 Te 0.83748583639217 0.92986940135542 0.17207647070297 127.600 > 31 37 Te 0.16251416360783 0.07013059864458 0.82792352929703 127.600 > 37 38 Te 0.66251416360783 0.07013059864458 0.82792352929703 127.600 > 37 39 Te 0.16251416360783 0.40346393197792 0.82792352929703 127.600 > 37 40 Te 0.66251416360783 0.40346393197792 0.82792352929703 127.600 > 37 41 Te 0.16251416360783 0.73679726531125 0.82792352929703 127.600 > 37 42 Te 0.66251416360783 0.73679726531125 0.82792352929703 127.600 > 37 43 Te 0.33748583639217 0.23679726531125 0.67207647070297 127.600 > 43 44 Te 0.83748583639217 0.23679726531125 0.67207647070297 127.600 > 43 45 Te 0.33748583639217 0.57013059864458 0.67207647070297 127.600 > 43 46 Te 0.83748583639217 0.57013059864458 0.67207647070297 127.600 > 43 47 Te 0.33748583639217 0.90346393197792 0.67207647070297 127.600 > 43 48 Te 0.83748583639217 0.90346393197792 0.67207647070297 127.600 > 43 49 O 0.06587969956249 0.14493855983991 0.43240181090422 15.999 > 49 50 O 0.56587969956249 0.14493855983991 0.43240181090422 15.999 > 49 51 O 0.06587969956249 0.47827189317324 0.43240181090422 15.999 > 49 52 O 0.56587969956249 0.47827189317324 0.43240181090422 15.999 > 49 53 O 0.06587969956249 0.81160522650658 0.43240181090422 15.999 > 49 54 O 0.56587969956249 0.81160522650658 0.43240181090422 15.999 > 49 55 O 0.22507441685019 0.13049280132645 0.66540548189961 15.999 > 55 56 O 0.72507441685019 0.13049280132645 0.66540548189961 15.999 > 55 57 O 0.22507441685019 0.46382613465978 0.66540548189961 15.999 > 55 58 O 0.72507441685019 0.46382613465978 0.66540548189961 15.999 > 55 59 O 0.22507441685019 0.79715946799311 0.66540548189961 15.999 > 55 60 O 0.72507441685019 0.79715946799311 0.66540548189961 15.999 > 55 61 O 0.46751759483345 0.19236615624248 0.80000034420082 15.999 > 61 62 O 0.96751759483345 0.19236615624248 0.80000034420082 15.999 > 61 63 O 0.46751759483345 0.52569948957581 0.80000034420082 15.999 > 61 64 O 0.96751759483345 0.52569948957581 0.80000034420082 15.999 > 61 65 O 0.46751759483345 0.85903282290915 0.80000034420082 15.999 > 61 66 O 0.96751759483345 0.85903282290915 0.80000034420082 15.999 > 61 67 O 0.22507441685019 0.03617386534022 0.16540548189960 15.999 > 67 68 O 0.72507441685019 0.03617386534022 0.16540548189960 15.999 > 67 69 O 0.22507441685019 0.36950719867355 0.16540548189960 15.999 > 67 70 O 0.72507441685019 0.36950719867355 0.16540548189960 15.999 > 67 71 O 0.22507441685019 0.70284053200689 0.16540548189960 15.999 > 67 72 O 0.72507441685019 0.70284053200689 0.16540548189960 15.999 > 67 73 O 0.27492558314981 0.20284053200689 0.33459451810039 15.999 > 73 74 O 0.77492558314981 0.20284053200689 0.33459451810039 15.999 > 73 75 O 0.27492558314981 0.53617386534022 0.33459451810039 15.999 > 73 76 O 0.77492558314981 0.53617386534022 0.33459451810039 15.999 > 73 77 O 0.27492558314981 0.86950719867355 0.33459451810039 15.999 > 73 78 O 0.77492558314981 0.86950719867355 0.33459451810039 15.999 > 73 79 O 0.27492558314981 0.29715946799311 0.83459451810039 15.999 > 79 80 O 0.77492558314981 0.29715946799311 0.83459451810039 15.999 > 79 81 O 0.27492558314981 0.63049280132645 0.83459451810039 15.999 > 79 82 O 0.77492558314981 0.63049280132645 0.83459451810039 15.999 > 79 83 O 0.27492558314981 0.96382613465978 0.83459451810039 15.999 > 79 84 O 0.77492558314981 0.96382613465978 0.83459451810039 15.999 > 79 85 O 0.03248240516655 0.02569948957581 0.69999965579918 15.999 > 85 86 O 0.53248240516655 0.02569948957581 0.69999965579918 15.999 > 85 87 O 0.03248240516655 0.35903282290915 0.69999965579918 15.999 > 85 88 O 0.53248240516655 0.35903282290915 0.69999965579918 15.999 > 85 89 O 0.03248240516655 0.69236615624248 0.69999965579918 15.999 > 85 90 O 0.53248240516655 0.69236615624248 0.69999965579918 15.999 > 85 91 O 0.43412030043750 0.18839477349342 0.56759818909578 15.999 > 91 92 O 0.93412030043750 0.18839477349342 0.56759818909578 15.999 > 91 93 O 0.43412030043750 0.52172810682676 0.56759818909578 15.999 > 91 94 O 0.93412030043750 0.52172810682676 0.56759818909578 15.999 > 91 95 O 0.43412030043750 0.85506144016009 0.56759818909578 15.999 > 91 96 O 0.93412030043750 0.85506144016009 0.56759818909578 15.999 > 91 97 O 0.06587969956249 0.02172810682676 0.93240181090422 15.999 > 97 98 O 0.56587969956249 0.02172810682676 0.93240181090422 15.999 > 97 99 O 0.06587969956249 0.35506144016009 0.93240181090422 15.999 > 97 100 O 0.56587969956249 0.35506144016009 0.93240181090422 15.999 > 97 101 O 0.06587969956249 0.68839477349342 0.93240181090422 15.999 > 97 102 O 0.56587969956249 0.68839477349342 0.93240181090422 15.999 > 97 103 O 0.03248240516655 0.14096717709085 0.19999965579918 15.999 > 103 104 O 0.53248240516655 0.14096717709085 0.19999965579918 15.999 > 103 105 O 0.03248240516655 0.47430051042419 0.19999965579918 15.999 > 103 106 O 0.53248240516655 0.47430051042419 0.19999965579918 15.999 > 103 107 O 0.03248240516655 0.80763384375752 0.19999965579918 15.999 > 103 108 O 0.53248240516655 0.80763384375752 0.19999965579918 15.999 > 103 109 O 0.46751759483345 0.30763384375752 0.30000034420082 15.999 > 109 110 O 0.96751759483345 0.30763384375752 0.30000034420082 15.999 > 109 111 O 0.46751759483345 0.64096717709085 0.30000034420082 15.999 > 109 112 O 0.96751759483345 0.64096717709085 0.30000034420082 15.999 > 109 113 O 0.46751759483345 0.97430051042419 0.30000034420082 15.999 > 109 114 O 0.96751759483345 0.97430051042419 0.30000034420082 15.999 > 109 115 O 0.43412030043750 0.31160522650658 0.06759818909578 15.999 > 115 116 O 0.93412030043750 0.31160522650658 0.06759818909578 15.999 > 115 117 O 0.43412030043750 0.64493855983991 0.06759818909578 15.999 > 115 118 O 0.93412030043750 0.64493855983991 0.06759818909578 15.999 > 115 119 O 0.43412030043750 0.97827189317324 0.06759818909578 15.999 > 115 120 O 0.93412030043750 0.97827189317324 0.06759818909578 15.999 > 115 121 F 0.12087021779946 0.31215410600475 0.51385179337633 18.998 > 121 122 F 0.62087021779946 0.31215410600475 0.51385179337633 18.998 > 121 123 F 0.12087021779946 0.64548743933808 0.51385179337633 18.998 > 121 124 F 0.62087021779946 0.64548743933808 0.51385179337633 18.998 > 121 125 F 0.12087021779946 0.97882077267142 0.51385179337633 18.998 > 121 126 F 0.62087021779946 0.97882077267142 0.51385179337633 18.998 > 121 127 F 0.37912978220054 0.14548743933808 0.98614820662367 18.998 > 127 128 F 0.87912978220054 0.14548743933808 0.98614820662367 18.998 > 127 129 F 0.37912978220054 0.47882077267142 0.98614820662367 18.998 > 127 130 F 0.87912978220054 0.47882077267142 0.98614820662367 18.998 > 127 131 F 0.37912978220054 0.81215410600475 0.98614820662367 18.998 > 127 132 F 0.87912978220054 0.81215410600475 0.98614820662367 18.998 > 127 133 F 0.12087021779946 0.18784589399525 0.01385179337633 18.998 > 133 134 F 0.62087021779946 0.18784589399525 0.01385179337633 18.998 > 133 135 F 0.12087021779946 0.52117922732858 0.01385179337633 18.998 > 133 136 F 0.62087021779946 0.52117922732858 0.01385179337633 18.998 > 133 137 F 0.12087021779946 0.85451256066192 0.01385179337633 18.998 > 133 138 F 0.62087021779946 0.85451256066192 0.01385179337633 18.998 > 133 139 F 0.37912978220054 0.02117922732858 0.48614820662367 18.998 > 139 140 F 0.87912978220054 0.02117922732858 0.48614820662367 18.998 > 139 141 F 0.37912978220054 0.35451256066192 0.48614820662367 18.998 > 139 142 F 0.87912978220054 0.35451256066192 0.48614820662367 18.998 > 139 143 F 0.37912978220054 0.68784589399525 0.48614820662367 18.998 > 139 144 F 0.87912978220054 0.68784589399525 0.48614820662367 18.998 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5621141 0.0000000 -0.3234424 0.0000000 4.1317911 0.0000000 -0.3234391 0.0000000 4.3880180 -------------------------- Born effective charges -------------------------- 1 Ga 3.2511810 0.1155043 0.1832393 -0.1491717 3.2231974 -0.0391532 -0.1270445 -0.0157484 3.9902417 2 Ga 3.2511810 -0.1155043 0.1832393 0.1491717 3.2231974 0.0391532 -0.1270445 0.0157484 3.9902417 3 Ga 3.2511810 -0.1155043 0.1832393 0.1491717 3.2231974 0.0391532 -0.1270445 0.0157484 3.9902417 4 Ga 3.2511810 0.1155043 0.1832393 -0.1491717 3.2231974 -0.0391532 -0.1270445 -0.0157484 3.9902417 5 Te 4.8901261 0.7135957 -0.7791965 0.3713469 4.1607364 0.7239983 -0.7039809 0.5293060 4.2386179 6 Te 4.8901261 -0.7135957 -0.7791965 -0.3713469 4.1607364 -0.7239983 -0.7039809 -0.5293060 4.2386179 7 Te 4.8901261 -0.7135957 -0.7791965 -0.3713469 4.1607364 -0.7239983 -0.7039809 -0.5293060 4.2386179 8 Te 4.8901261 0.7135957 -0.7791965 0.3713469 4.1607364 0.7239983 -0.7039809 0.5293060 4.2386179 9 O -2.4803144 0.9158466 1.1138483 0.5787702 -1.7197358 -0.1160269 1.4384588 -0.4849540 -2.6981436 10 O -2.4830105 -1.8908073 0.3224129 -1.2415860 -2.4686305 0.3870446 0.0843130 0.1193181 -1.7712755 11 O -1.8936724 0.6653032 -0.5171824 0.7013371 -1.6979811 -0.0227820 -0.3698720 0.2250184 -2.2010584 12 O -2.4830105 1.8908073 0.3224129 1.2415860 -2.4686305 -0.3870446 0.0843130 -0.1193181 -1.7712755 13 O -2.4830105 -1.8908073 0.3224129 -1.2415860 -2.4686305 0.3870446 0.0843130 0.1193181 -1.7712755 14 O -2.4830105 1.8908073 0.3224129 1.2415860 -2.4686305 -0.3870446 0.0843130 -0.1193181 -1.7712755 15 O -1.8936724 -0.6653032 -0.5171824 -0.7013371 -1.6979811 0.0227820 -0.3698720 -0.2250184 -2.2010584 16 O -2.4803144 0.9158466 1.1138483 0.5787702 -1.7197358 -0.1160269 1.4384588 -0.4849540 -2.6981436 17 O -2.4803144 -0.9158466 1.1138483 -0.5787702 -1.7197358 0.1160269 1.4384588 0.4849540 -2.6981436 18 O -1.8936724 0.6653032 -0.5171824 0.7013371 -1.6979811 -0.0227820 -0.3698720 0.2250184 -2.2010584 19 O -1.8936724 -0.6653032 -0.5171824 -0.7013371 -1.6979811 0.0227820 -0.3698720 -0.2250184 -2.2010584 20 O -2.4803144 -0.9158466 1.1138483 -0.5787702 -1.7197358 0.1160269 1.4384588 0.4849540 -2.6981436 21 F -1.2843097 0.0612282 -0.3231215 0.0157729 -1.4975865 -0.0862452 -0.3218744 -0.0597306 -1.5583821 22 F -1.2843097 -0.0612282 -0.3231215 -0.0157729 -1.4975865 0.0862452 -0.3218744 0.0597306 -1.5583821 23 F -1.2843097 -0.0612282 -0.3231215 -0.0157729 -1.4975865 0.0862452 -0.3218744 0.0597306 -1.5583821 24 F -1.2843097 0.0612282 -0.3231215 0.0157729 -1.4975865 -0.0862452 -0.3218744 -0.0597306 -1.5583821 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:35:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:35:36]------------------------- 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): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.041609900232803 0.000000000000000 0.000000000000000 b 0.000000000000000 4.994091219999999 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): 1 Ga 0.10539845370997 0.23936001805454 0.07020130223352 69.723 2 Ga 0.89460154629003 0.73936001805454 0.42979869776648 69.723 3 Ga 0.10539845370997 0.26063998194546 0.57020130223352 69.723 4 Ga 0.89460154629003 0.76063998194546 0.92979869776648 69.723 5 Te 0.32502832721565 0.28960820406625 0.32792352929703 127.600 6 Te 0.67497167278435 0.78960820406625 0.17207647070297 127.600 7 Te 0.32502832721565 0.21039179593375 0.82792352929703 127.600 8 Te 0.67497167278435 0.71039179593375 0.67207647070297 127.600 9 O 0.13175939912499 0.43481567951973 0.43240181090422 15.999 10 O 0.45014883370038 0.39147840397934 0.66540548189961 15.999 11 O 0.93503518966690 0.57709846872744 0.80000034420082 15.999 12 O 0.45014883370038 0.10852159602066 0.16540548189960 15.999 13 O 0.54985116629962 0.60852159602066 0.33459451810039 15.999 14 O 0.54985116629962 0.89147840397934 0.83459451810039 15.999 15 O 0.06496481033310 0.07709846872744 0.69999965579918 15.999 16 O 0.86824060087501 0.56518432048027 0.56759818909578 15.999 17 O 0.13175939912499 0.06518432048027 0.93240181090422 15.999 18 O 0.06496481033310 0.42290153127256 0.19999965579918 15.999 19 O 0.93503518966690 0.92290153127256 0.30000034420082 15.999 20 O 0.86824060087501 0.93481567951973 0.06759818909578 15.999 21 F 0.24174043559891 0.93646231801425 0.51385179337633 18.998 22 F 0.75825956440109 0.43646231801425 0.98614820662367 18.998 23 F 0.24174043559891 0.56353768198575 0.01385179337633 18.998 24 F 0.75825956440109 0.06353768198575 0.48614820662367 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.083219800465606 0.000000000000000 0.000000000000000 b 0.000000000000000 14.982273659999997 0.000000000000000 c -3.297678076102415 0.000000000000000 12.115051039788828 Atomic positions (fractional): 1 Ga 0.05269922685499 0.07978667268485 0.07020130223352 69.723 > 1 2 Ga 0.55269922685498 0.07978667268485 0.07020130223352 69.723 > 1 3 Ga 0.05269922685499 0.41312000601818 0.07020130223352 69.723 > 1 4 Ga 0.55269922685498 0.41312000601818 0.07020130223352 69.723 > 1 5 Ga 0.05269922685499 0.74645333935151 0.07020130223352 69.723 > 1 6 Ga 0.55269922685498 0.74645333935151 0.07020130223352 69.723 > 1 7 Ga 0.44730077314502 0.24645333935151 0.42979869776648 69.723 > 7 8 Ga 0.94730077314502 0.24645333935151 0.42979869776648 69.723 > 7 9 Ga 0.44730077314502 0.57978667268485 0.42979869776648 69.723 > 7 10 Ga 0.94730077314502 0.57978667268485 0.42979869776648 69.723 > 7 11 Ga 0.44730077314502 0.91312000601818 0.42979869776648 69.723 > 7 12 Ga 0.94730077314502 0.91312000601818 0.42979869776648 69.723 > 7 13 Ga 0.05269922685499 0.08687999398182 0.57020130223352 69.723 > 13 14 Ga 0.55269922685498 0.08687999398182 0.57020130223352 69.723 > 13 15 Ga 0.05269922685499 0.42021332731515 0.57020130223352 69.723 > 13 16 Ga 0.55269922685498 0.42021332731515 0.57020130223352 69.723 > 13 17 Ga 0.05269922685499 0.75354666064849 0.57020130223352 69.723 > 13 18 Ga 0.55269922685498 0.75354666064849 0.57020130223352 69.723 > 13 19 Ga 0.44730077314502 0.25354666064849 0.92979869776648 69.723 > 19 20 Ga 0.94730077314502 0.25354666064849 0.92979869776648 69.723 > 19 21 Ga 0.44730077314502 0.58687999398182 0.92979869776648 69.723 > 19 22 Ga 0.94730077314502 0.58687999398182 0.92979869776648 69.723 > 19 23 Ga 0.44730077314502 0.92021332731515 0.92979869776648 69.723 > 19 24 Ga 0.94730077314502 0.92021332731515 0.92979869776648 69.723 > 19 25 Te 0.16251416360783 0.09653606802208 0.32792352929703 127.600 > 25 26 Te 0.66251416360783 0.09653606802208 0.32792352929703 127.600 > 25 27 Te 0.16251416360783 0.42986940135542 0.32792352929703 127.600 > 25 28 Te 0.66251416360783 0.42986940135542 0.32792352929703 127.600 > 25 29 Te 0.16251416360783 0.76320273468875 0.32792352929703 127.600 > 25 30 Te 0.66251416360783 0.76320273468875 0.32792352929703 127.600 > 25 31 Te 0.33748583639217 0.26320273468875 0.17207647070297 127.600 > 31 32 Te 0.83748583639217 0.26320273468875 0.17207647070297 127.600 > 31 33 Te 0.33748583639217 0.59653606802208 0.17207647070297 127.600 > 31 34 Te 0.83748583639217 0.59653606802208 0.17207647070297 127.600 > 31 35 Te 0.33748583639217 0.92986940135542 0.17207647070297 127.600 > 31 36 Te 0.83748583639217 0.92986940135542 0.17207647070297 127.600 > 31 37 Te 0.16251416360783 0.07013059864458 0.82792352929703 127.600 > 37 38 Te 0.66251416360783 0.07013059864458 0.82792352929703 127.600 > 37 39 Te 0.16251416360783 0.40346393197792 0.82792352929703 127.600 > 37 40 Te 0.66251416360783 0.40346393197792 0.82792352929703 127.600 > 37 41 Te 0.16251416360783 0.73679726531125 0.82792352929703 127.600 > 37 42 Te 0.66251416360783 0.73679726531125 0.82792352929703 127.600 > 37 43 Te 0.33748583639217 0.23679726531125 0.67207647070297 127.600 > 43 44 Te 0.83748583639217 0.23679726531125 0.67207647070297 127.600 > 43 45 Te 0.33748583639217 0.57013059864458 0.67207647070297 127.600 > 43 46 Te 0.83748583639217 0.57013059864458 0.67207647070297 127.600 > 43 47 Te 0.33748583639217 0.90346393197792 0.67207647070297 127.600 > 43 48 Te 0.83748583639217 0.90346393197792 0.67207647070297 127.600 > 43 49 O 0.06587969956249 0.14493855983991 0.43240181090422 15.999 > 49 50 O 0.56587969956249 0.14493855983991 0.43240181090422 15.999 > 49 51 O 0.06587969956249 0.47827189317324 0.43240181090422 15.999 > 49 52 O 0.56587969956249 0.47827189317324 0.43240181090422 15.999 > 49 53 O 0.06587969956249 0.81160522650658 0.43240181090422 15.999 > 49 54 O 0.56587969956249 0.81160522650658 0.43240181090422 15.999 > 49 55 O 0.22507441685019 0.13049280132645 0.66540548189961 15.999 > 55 56 O 0.72507441685019 0.13049280132645 0.66540548189961 15.999 > 55 57 O 0.22507441685019 0.46382613465978 0.66540548189961 15.999 > 55 58 O 0.72507441685019 0.46382613465978 0.66540548189961 15.999 > 55 59 O 0.22507441685019 0.79715946799311 0.66540548189961 15.999 > 55 60 O 0.72507441685019 0.79715946799311 0.66540548189961 15.999 > 55 61 O 0.46751759483345 0.19236615624248 0.80000034420082 15.999 > 61 62 O 0.96751759483345 0.19236615624248 0.80000034420082 15.999 > 61 63 O 0.46751759483345 0.52569948957581 0.80000034420082 15.999 > 61 64 O 0.96751759483345 0.52569948957581 0.80000034420082 15.999 > 61 65 O 0.46751759483345 0.85903282290915 0.80000034420082 15.999 > 61 66 O 0.96751759483345 0.85903282290915 0.80000034420082 15.999 > 61 67 O 0.22507441685019 0.03617386534022 0.16540548189960 15.999 > 67 68 O 0.72507441685019 0.03617386534022 0.16540548189960 15.999 > 67 69 O 0.22507441685019 0.36950719867355 0.16540548189960 15.999 > 67 70 O 0.72507441685019 0.36950719867355 0.16540548189960 15.999 > 67 71 O 0.22507441685019 0.70284053200689 0.16540548189960 15.999 > 67 72 O 0.72507441685019 0.70284053200689 0.16540548189960 15.999 > 67 73 O 0.27492558314981 0.20284053200689 0.33459451810039 15.999 > 73 74 O 0.77492558314981 0.20284053200689 0.33459451810039 15.999 > 73 75 O 0.27492558314981 0.53617386534022 0.33459451810039 15.999 > 73 76 O 0.77492558314981 0.53617386534022 0.33459451810039 15.999 > 73 77 O 0.27492558314981 0.86950719867355 0.33459451810039 15.999 > 73 78 O 0.77492558314981 0.86950719867355 0.33459451810039 15.999 > 73 79 O 0.27492558314981 0.29715946799311 0.83459451810039 15.999 > 79 80 O 0.77492558314981 0.29715946799311 0.83459451810039 15.999 > 79 81 O 0.27492558314981 0.63049280132645 0.83459451810039 15.999 > 79 82 O 0.77492558314981 0.63049280132645 0.83459451810039 15.999 > 79 83 O 0.27492558314981 0.96382613465978 0.83459451810039 15.999 > 79 84 O 0.77492558314981 0.96382613465978 0.83459451810039 15.999 > 79 85 O 0.03248240516655 0.02569948957581 0.69999965579918 15.999 > 85 86 O 0.53248240516655 0.02569948957581 0.69999965579918 15.999 > 85 87 O 0.03248240516655 0.35903282290915 0.69999965579918 15.999 > 85 88 O 0.53248240516655 0.35903282290915 0.69999965579918 15.999 > 85 89 O 0.03248240516655 0.69236615624248 0.69999965579918 15.999 > 85 90 O 0.53248240516655 0.69236615624248 0.69999965579918 15.999 > 85 91 O 0.43412030043750 0.18839477349342 0.56759818909578 15.999 > 91 92 O 0.93412030043750 0.18839477349342 0.56759818909578 15.999 > 91 93 O 0.43412030043750 0.52172810682676 0.56759818909578 15.999 > 91 94 O 0.93412030043750 0.52172810682676 0.56759818909578 15.999 > 91 95 O 0.43412030043750 0.85506144016009 0.56759818909578 15.999 > 91 96 O 0.93412030043750 0.85506144016009 0.56759818909578 15.999 > 91 97 O 0.06587969956249 0.02172810682676 0.93240181090422 15.999 > 97 98 O 0.56587969956249 0.02172810682676 0.93240181090422 15.999 > 97 99 O 0.06587969956249 0.35506144016009 0.93240181090422 15.999 > 97 100 O 0.56587969956249 0.35506144016009 0.93240181090422 15.999 > 97 101 O 0.06587969956249 0.68839477349342 0.93240181090422 15.999 > 97 102 O 0.56587969956249 0.68839477349342 0.93240181090422 15.999 > 97 103 O 0.03248240516655 0.14096717709085 0.19999965579918 15.999 > 103 104 O 0.53248240516655 0.14096717709085 0.19999965579918 15.999 > 103 105 O 0.03248240516655 0.47430051042419 0.19999965579918 15.999 > 103 106 O 0.53248240516655 0.47430051042419 0.19999965579918 15.999 > 103 107 O 0.03248240516655 0.80763384375752 0.19999965579918 15.999 > 103 108 O 0.53248240516655 0.80763384375752 0.19999965579918 15.999 > 103 109 O 0.46751759483345 0.30763384375752 0.30000034420082 15.999 > 109 110 O 0.96751759483345 0.30763384375752 0.30000034420082 15.999 > 109 111 O 0.46751759483345 0.64096717709085 0.30000034420082 15.999 > 109 112 O 0.96751759483345 0.64096717709085 0.30000034420082 15.999 > 109 113 O 0.46751759483345 0.97430051042419 0.30000034420082 15.999 > 109 114 O 0.96751759483345 0.97430051042419 0.30000034420082 15.999 > 109 115 O 0.43412030043750 0.31160522650658 0.06759818909578 15.999 > 115 116 O 0.93412030043750 0.31160522650658 0.06759818909578 15.999 > 115 117 O 0.43412030043750 0.64493855983991 0.06759818909578 15.999 > 115 118 O 0.93412030043750 0.64493855983991 0.06759818909578 15.999 > 115 119 O 0.43412030043750 0.97827189317324 0.06759818909578 15.999 > 115 120 O 0.93412030043750 0.97827189317324 0.06759818909578 15.999 > 115 121 F 0.12087021779946 0.31215410600475 0.51385179337633 18.998 > 121 122 F 0.62087021779946 0.31215410600475 0.51385179337633 18.998 > 121 123 F 0.12087021779946 0.64548743933808 0.51385179337633 18.998 > 121 124 F 0.62087021779946 0.64548743933808 0.51385179337633 18.998 > 121 125 F 0.12087021779946 0.97882077267142 0.51385179337633 18.998 > 121 126 F 0.62087021779946 0.97882077267142 0.51385179337633 18.998 > 121 127 F 0.37912978220054 0.14548743933808 0.98614820662367 18.998 > 127 128 F 0.87912978220054 0.14548743933808 0.98614820662367 18.998 > 127 129 F 0.37912978220054 0.47882077267142 0.98614820662367 18.998 > 127 130 F 0.87912978220054 0.47882077267142 0.98614820662367 18.998 > 127 131 F 0.37912978220054 0.81215410600475 0.98614820662367 18.998 > 127 132 F 0.87912978220054 0.81215410600475 0.98614820662367 18.998 > 127 133 F 0.12087021779946 0.18784589399525 0.01385179337633 18.998 > 133 134 F 0.62087021779946 0.18784589399525 0.01385179337633 18.998 > 133 135 F 0.12087021779946 0.52117922732858 0.01385179337633 18.998 > 133 136 F 0.62087021779946 0.52117922732858 0.01385179337633 18.998 > 133 137 F 0.12087021779946 0.85451256066192 0.01385179337633 18.998 > 133 138 F 0.62087021779946 0.85451256066192 0.01385179337633 18.998 > 133 139 F 0.37912978220054 0.02117922732858 0.48614820662367 18.998 > 139 140 F 0.87912978220054 0.02117922732858 0.48614820662367 18.998 > 139 141 F 0.37912978220054 0.35451256066192 0.48614820662367 18.998 > 139 142 F 0.87912978220054 0.35451256066192 0.48614820662367 18.998 > 139 143 F 0.37912978220054 0.68784589399525 0.48614820662367 18.998 > 139 144 F 0.87912978220054 0.68784589399525 0.48614820662367 18.998 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5621141 0.0000000 -0.3234424 0.0000000 4.1317911 0.0000000 -0.3234391 0.0000000 4.3880180 -------------------------- Born effective charges -------------------------- 1 Ga 3.2511810 0.1155043 0.1832393 -0.1491717 3.2231974 -0.0391532 -0.1270445 -0.0157484 3.9902417 2 Ga 3.2511810 -0.1155043 0.1832393 0.1491717 3.2231974 0.0391532 -0.1270445 0.0157484 3.9902417 3 Ga 3.2511810 -0.1155043 0.1832393 0.1491717 3.2231974 0.0391532 -0.1270445 0.0157484 3.9902417 4 Ga 3.2511810 0.1155043 0.1832393 -0.1491717 3.2231974 -0.0391532 -0.1270445 -0.0157484 3.9902417 5 Te 4.8901261 0.7135957 -0.7791965 0.3713469 4.1607364 0.7239983 -0.7039809 0.5293060 4.2386179 6 Te 4.8901261 -0.7135957 -0.7791965 -0.3713469 4.1607364 -0.7239983 -0.7039809 -0.5293060 4.2386179 7 Te 4.8901261 -0.7135957 -0.7791965 -0.3713469 4.1607364 -0.7239983 -0.7039809 -0.5293060 4.2386179 8 Te 4.8901261 0.7135957 -0.7791965 0.3713469 4.1607364 0.7239983 -0.7039809 0.5293060 4.2386179 9 O -2.4803144 0.9158466 1.1138483 0.5787702 -1.7197358 -0.1160269 1.4384588 -0.4849540 -2.6981436 10 O -2.4830105 -1.8908073 0.3224129 -1.2415860 -2.4686305 0.3870446 0.0843130 0.1193181 -1.7712755 11 O -1.8936724 0.6653032 -0.5171824 0.7013371 -1.6979811 -0.0227820 -0.3698720 0.2250184 -2.2010584 12 O -2.4830105 1.8908073 0.3224129 1.2415860 -2.4686305 -0.3870446 0.0843130 -0.1193181 -1.7712755 13 O -2.4830105 -1.8908073 0.3224129 -1.2415860 -2.4686305 0.3870446 0.0843130 0.1193181 -1.7712755 14 O -2.4830105 1.8908073 0.3224129 1.2415860 -2.4686305 -0.3870446 0.0843130 -0.1193181 -1.7712755 15 O -1.8936724 -0.6653032 -0.5171824 -0.7013371 -1.6979811 0.0227820 -0.3698720 -0.2250184 -2.2010584 16 O -2.4803144 0.9158466 1.1138483 0.5787702 -1.7197358 -0.1160269 1.4384588 -0.4849540 -2.6981436 17 O -2.4803144 -0.9158466 1.1138483 -0.5787702 -1.7197358 0.1160269 1.4384588 0.4849540 -2.6981436 18 O -1.8936724 0.6653032 -0.5171824 0.7013371 -1.6979811 -0.0227820 -0.3698720 0.2250184 -2.2010584 19 O -1.8936724 -0.6653032 -0.5171824 -0.7013371 -1.6979811 0.0227820 -0.3698720 -0.2250184 -2.2010584 20 O -2.4803144 -0.9158466 1.1138483 -0.5787702 -1.7197358 0.1160269 1.4384588 0.4849540 -2.6981436 21 F -1.2843097 0.0612282 -0.3231215 0.0157729 -1.4975865 -0.0862452 -0.3218744 -0.0597306 -1.5583821 22 F -1.2843097 -0.0612282 -0.3231215 -0.0157729 -1.4975865 0.0862452 -0.3218744 0.0597306 -1.5583821 23 F -1.2843097 -0.0612282 -0.3231215 -0.0157729 -1.4975865 0.0862452 -0.3218744 0.0597306 -1.5583821 24 F -1.2843097 0.0612282 -0.3231215 0.0157729 -1.4975865 -0.0862452 -0.3218744 -0.0597306 -1.5583821 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/132) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 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 2.114 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.580 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 11.037 ( 0.000 0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 13.566 ( 0.000 0.000 0.000) 0.000 13.712 ( 0.000 0.000 0.000) 0.000 13.992 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.500 ( 0.000 0.000 0.000) 0.000 16.147 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 16.759 ( 0.000 0.000 0.000) 0.000 18.410 ( 0.000 0.000 0.000) 0.000 18.740 ( 0.000 0.000 0.000) 0.000 19.130 ( 0.000 0.000 0.000) 0.000 19.297 ( 0.000 0.000 0.000) 0.000 19.608 ( 0.000 0.000 0.000) 0.000 19.689 ( 0.000 0.000 0.000) 0.000 20.768 ( 0.000 0.000 0.000) 0.000 21.562 ( 0.000 0.000 0.000) 0.000 22.014 ( 0.000 0.000 0.000) 0.000 22.171 ( 0.000 0.000 0.000) 0.000 22.668 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/132) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 20.981 0.000 14.225) 25.349 0.561 ( 34.030 0.000 -21.833) 40.432 0.869 ( 36.053 0.000 28.371) 45.878 2.038 ( 4.264 0.000 -23.551) 23.934 2.281 ( 6.379 0.000 -11.603) 13.241 2.390 ( 5.967 0.000 22.315) 23.099 2.602 ( -0.480 0.000 9.596) 9.608 3.599 ( 1.249 0.000 -1.752) 2.152 3.641 ( -1.495 0.000 2.417) 2.842 3.804 ( 0.148 0.000 -4.954) 4.956 3.878 ( 0.339 0.000 -1.056) 1.109 4.271 ( 5.410 0.000 -10.261) 11.600 4.403 ( -12.207 0.000 0.567) 12.220 4.565 ( -6.893 0.000 -0.028) 6.893 4.991 ( 3.227 0.000 0.601) 3.283 5.041 ( -1.630 0.000 1.271) 2.067 5.154 ( -4.132 0.000 -2.801) 4.992 5.255 ( 4.465 0.000 1.195) 4.622 5.359 ( -1.321 0.000 3.396) 3.644 5.450 ( 9.661 0.000 -9.776) 13.744 5.689 ( -0.341 0.000 -0.431) 0.549 5.958 ( -0.799 0.000 1.854) 2.019 5.992 ( 3.368 0.000 10.706) 11.223 6.334 ( -1.713 0.000 -11.414) 11.542 6.527 ( 1.887 0.000 0.374) 1.924 6.684 ( -0.702 0.000 2.383) 2.485 6.835 ( 6.874 0.000 1.504) 7.037 6.961 ( 2.216 0.000 1.178) 2.510 7.250 ( -4.538 0.000 0.293) 4.548 7.347 ( -2.259 0.000 0.190) 2.267 7.497 ( -5.403 0.000 -1.453) 5.595 7.691 ( 1.349 0.000 0.322) 1.387 7.730 ( 0.463 0.000 0.626) 0.778 8.023 ( 4.481 0.000 -3.729) 5.829 8.099 ( -6.205 0.000 -1.880) 6.484 8.538 ( 7.645 0.000 4.578) 8.911 8.576 ( 9.294 0.000 -0.973) 9.345 8.780 ( 0.747 0.000 10.240) 10.267 9.173 ( -9.498 0.000 5.849) 11.154 9.279 ( -8.879 0.000 -3.387) 9.503 9.475 ( -0.622 0.000 1.730) 1.838 9.505 ( -2.408 0.000 -3.761) 4.466 9.894 ( 1.588 0.000 -4.094) 4.391 10.058 ( -4.020 0.000 38.336) 38.546 11.028 ( -2.572 0.000 -25.099) 25.230 11.051 ( 1.211 0.000 -0.181) 1.224 11.360 ( 2.880 0.000 -3.686) 4.677 11.452 ( 6.250 0.000 7.871) 10.050 11.681 ( 0.416 0.000 1.946) 1.990 12.006 ( 10.133 0.000 -53.358) 54.311 12.475 ( -2.527 0.000 11.639) 11.910 12.625 ( 0.883 0.000 1.032) 1.359 13.634 ( 6.312 0.000 0.486) 6.331 13.746 ( 3.874 0.000 -1.568) 4.180 13.972 ( -1.923 0.000 0.163) 1.930 14.441 ( 6.253 0.000 -21.316) 22.215 15.154 ( -1.968 0.000 2.566) 3.234 15.718 ( -7.290 0.000 30.543) 31.401 16.098 ( -4.844 0.000 0.908) 4.929 16.739 ( 0.471 0.000 -10.752) 10.763 18.084 ( -27.016 0.000 24.208) 36.275 18.477 ( 5.795 0.000 -71.990) 72.223 18.930 ( 4.858 0.000 -1.933) 5.228 19.253 ( 13.967 0.000 -18.142) 22.896 19.360 ( 9.964 0.000 -3.083) 10.430 19.619 ( 1.203 0.000 -0.082) 1.206 20.793 ( 3.624 0.000 -3.606) 5.112 21.415 ( 2.139 0.000 -12.483) 12.665 21.847 ( -10.478 0.000 27.884) 29.788 21.993 ( -2.082 0.000 -0.728) 2.206 22.196 ( 0.980 0.000 3.844) 3.967 22.713 ( 4.521 0.000 -1.661) 4.817 ======================= Grid point 2 (3/132) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 20.211 0.000 13.270) 24.178 1.103 ( 31.037 0.000 -18.370) 36.066 1.728 ( 34.960 0.000 27.013) 44.181 2.067 ( 10.530 0.000 -19.743) 22.376 2.315 ( 6.319 0.000 -22.420) 23.293 2.634 ( 7.161 0.000 17.999) 19.371 2.726 ( 4.797 0.000 19.648) 20.225 3.604 ( 0.293 0.000 -3.633) 3.645 3.608 ( -2.545 0.000 0.271) 2.559 3.762 ( -0.945 0.000 -7.358) 7.418 3.879 ( -0.391 0.000 -1.311) 1.368 4.213 ( -7.238 0.000 4.746) 8.655 4.357 ( 5.448 0.000 -9.526) 10.973 4.379 ( -7.169 0.000 -4.441) 8.433 4.831 ( -9.526 0.000 7.702) 12.251 5.048 ( -5.304 0.000 -1.075) 5.412 5.159 ( -0.151 0.000 -1.744) 1.750 5.277 ( -3.930 0.000 -8.445) 9.315 5.421 ( 6.447 0.000 9.878) 11.796 5.538 ( 6.972 0.000 -9.396) 11.700 5.761 ( 7.825 0.000 -6.028) 9.878 5.971 ( 0.488 0.000 7.276) 7.292 6.123 ( 2.749 0.000 13.002) 13.290 6.213 ( -2.455 0.000 -14.041) 14.254 6.586 ( 3.731 0.000 -0.273) 3.741 6.671 ( -1.722 0.000 1.054) 2.019 6.992 ( 6.282 0.000 3.280) 7.087 7.035 ( 0.776 0.000 5.433) 5.488 7.151 ( -5.311 0.000 3.646) 6.443 7.256 ( -3.810 0.000 -1.114) 3.970 7.419 ( -1.638 0.000 -0.734) 1.795 7.691 ( -0.369 0.000 -0.726) 0.814 7.756 ( 2.092 0.000 0.108) 2.095 7.970 ( -5.483 0.000 -2.559) 6.050 8.140 ( 9.164 0.000 -6.923) 11.485 8.680 ( -3.127 0.000 1.360) 3.409 8.708 ( 4.505 0.000 5.011) 6.738 8.887 ( 5.108 0.000 7.719) 9.256 9.011 ( -12.286 0.000 -7.604) 14.448 9.047 ( -3.361 0.000 9.665) 10.232 9.460 ( -1.579 0.000 -2.960) 3.355 9.479 ( -0.221 0.000 3.560) 3.567 9.897 ( 1.738 0.000 -3.939) 4.305 10.187 ( 2.599 0.000 9.814) 10.153 10.874 ( -0.912 0.000 -15.366) 15.394 11.063 ( -0.739 0.000 0.508) 0.897 11.377 ( 1.528 0.000 -6.069) 6.258 11.597 ( 3.245 0.000 9.778) 10.302 11.756 ( 6.465 0.000 1.556) 6.650 11.891 ( 0.120 0.000 -26.233) 26.233 12.486 ( -3.780 0.000 15.195) 15.658 12.640 ( -0.403 0.000 1.544) 1.596 13.792 ( 8.089 0.000 1.286) 8.191 13.847 ( 6.841 0.000 -1.254) 6.955 13.928 ( -2.479 0.000 1.308) 2.803 14.458 ( 5.776 0.000 -15.633) 16.666 15.125 ( -3.036 0.000 5.691) 6.450 15.731 ( -4.209 0.000 15.214) 15.785 15.988 ( -5.508 0.000 -1.118) 5.620 16.648 ( -3.336 0.000 -12.196) 12.643 17.738 ( -21.065 0.000 26.544) 33.887 18.185 ( -6.953 0.000 -27.858) 28.713 18.845 ( -8.651 0.000 -3.410) 9.299 19.415 ( 9.588 0.000 -10.137) 13.953 19.611 ( 12.285 0.000 1.655) 12.396 19.656 ( 3.168 0.000 -2.674) 4.146 20.880 ( 7.183 0.000 -3.907) 8.177 21.383 ( -0.248 0.000 -5.601) 5.607 21.783 ( -7.123 0.000 14.212) 15.897 21.920 ( -4.658 0.000 -1.670) 4.949 22.232 ( -0.034 0.000 4.447) 4.447 22.801 ( 4.896 0.000 -2.661) 5.572 ======================= Grid point 3 (4/132) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 18.851 0.000 9.732) 21.215 1.571 ( 23.928 0.000 -12.644) 27.064 2.196 ( 13.623 0.000 -16.021) 21.030 2.337 ( 7.977 0.000 -17.705) 19.419 2.546 ( 29.379 0.000 26.740) 39.726 2.861 ( 8.263 0.000 9.352) 12.480 2.922 ( 1.941 0.000 16.671) 16.783 3.568 ( -1.275 0.000 -4.133) 4.325 3.572 ( 0.521 0.000 0.212) 0.562 3.696 ( -0.973 0.000 -8.740) 8.794 3.804 ( -5.944 0.000 -0.318) 5.952 4.119 ( -12.923 0.000 -1.769) 13.044 4.219 ( 4.047 0.000 7.524) 8.543 4.494 ( 8.380 0.000 -9.633) 12.768 4.730 ( -5.142 0.000 7.020) 8.701 4.923 ( -7.149 0.000 -0.233) 7.153 5.026 ( -10.644 0.000 0.339) 10.649 5.117 ( -4.590 0.000 -12.824) 13.621 5.589 ( -0.827 0.000 -8.620) 8.660 5.603 ( 6.298 0.000 7.445) 9.752 5.823 ( 3.666 0.000 -15.142) 15.579 6.088 ( 5.959 0.000 12.137) 13.521 6.186 ( 7.795 0.000 -9.346) 12.170 6.227 ( 0.035 0.000 13.987) 13.987 6.646 ( -0.292 0.000 1.732) 1.756 6.647 ( 2.327 0.000 -0.995) 2.530 6.930 ( -8.528 0.000 -1.480) 8.656 7.029 ( -4.106 0.000 6.024) 7.290 7.160 ( 2.901 0.000 4.221) 5.122 7.318 ( 3.858 0.000 0.491) 3.889 7.394 ( 0.135 0.000 0.964) 0.973 7.722 ( 4.651 0.000 2.825) 5.441 7.810 ( 3.618 0.000 -2.213) 4.241 7.841 ( -6.144 0.000 -5.048) 7.951 8.271 ( 7.539 0.000 -9.235) 11.921 8.480 ( -13.952 0.000 3.235) 14.322 8.615 ( -11.118 0.000 -5.492) 12.400 8.888 ( 0.094 0.000 1.270) 1.274 9.048 ( 6.541 0.000 6.872) 9.487 9.141 ( 4.575 0.000 7.022) 8.380 9.376 ( -4.905 0.000 -4.433) 6.612 9.519 ( 1.580 0.000 7.708) 7.868 9.948 ( 4.452 0.000 -0.346) 4.466 10.222 ( -0.832 0.000 -4.634) 4.709 10.866 ( 6.026 0.000 -5.387) 8.083 11.015 ( -4.295 0.000 1.453) 4.534 11.377 ( 1.709 0.000 -4.974) 5.259 11.668 ( -3.624 0.000 9.445) 10.116 11.747 ( -0.236 0.000 -17.497) 17.499 11.925 ( 9.766 0.000 -2.136) 9.997 12.487 ( -3.823 0.000 13.016) 13.566 12.623 ( -1.890 0.000 1.288) 2.287 13.892 ( -0.345 0.000 1.128) 1.180 13.943 ( 3.933 0.000 3.178) 5.057 13.980 ( 5.888 0.000 0.416) 5.903 14.521 ( 9.701 0.000 -15.963) 18.679 15.098 ( -3.672 0.000 8.766) 9.504 15.699 ( -5.794 0.000 8.813) 10.547 15.898 ( -1.260 0.000 -4.212) 4.397 16.486 ( -7.811 0.000 -5.782) 9.718 17.532 ( -12.854 0.000 20.158) 23.908 17.930 ( -6.834 0.000 -14.365) 15.907 18.629 ( -9.400 0.000 -5.925) 11.111 19.524 ( 4.465 0.000 -0.372) 4.481 19.705 ( 3.918 0.000 -6.789) 7.839 19.812 ( 6.692 0.000 2.914) 7.299 21.028 ( 8.802 0.000 -1.416) 8.916 21.350 ( -0.556 0.000 -3.432) 3.477 21.726 ( -5.028 0.000 9.730) 10.952 21.793 ( -6.778 0.000 -2.417) 7.196 22.238 ( -1.373 0.000 3.270) 3.547 22.866 ( 3.075 0.000 -2.687) 4.084 ======================= Grid point 4 (5/132) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 14.297 0.000 3.551) 14.731 1.890 ( 12.683 0.000 -5.564) 13.850 2.384 ( 12.086 0.000 -11.430) 16.635 2.457 ( 10.222 0.000 -5.701) 11.704 2.895 ( -9.592 0.000 4.252) 10.492 3.035 ( 4.007 0.000 1.037) 4.139 3.082 ( 9.318 0.000 20.685) 22.687 3.538 ( -2.675 0.000 -0.781) 2.787 3.611 ( -1.922 0.000 1.951) 2.738 3.724 ( 10.340 0.000 -0.971) 10.386 3.800 ( 13.245 0.000 0.686) 13.263 3.873 ( -8.946 0.000 -4.017) 9.806 4.380 ( 5.572 0.000 7.741) 9.537 4.479 ( -8.444 0.000 -1.925) 8.661 4.673 ( -4.596 0.000 3.914) 6.037 4.772 ( -13.819 0.000 -2.337) 14.015 4.843 ( 2.698 0.000 -4.487) 5.236 4.994 ( -2.020 0.000 -9.390) 9.605 5.435 ( -6.810 0.000 -5.791) 8.939 5.766 ( 7.973 0.000 3.573) 8.737 5.777 ( -0.166 0.000 -13.927) 13.928 6.161 ( -7.712 0.000 6.872) 10.329 6.328 ( 7.223 0.000 -3.846) 8.183 6.372 ( 7.575 0.000 17.738) 19.288 6.680 ( 2.270 0.000 -0.786) 2.402 6.736 ( 7.970 0.000 3.839) 8.847 6.793 ( -3.380 0.000 -4.524) 5.647 6.987 ( -2.233 0.000 4.222) 4.776 7.218 ( 0.352 0.000 3.976) 3.992 7.241 ( -5.584 0.000 -7.199) 9.111 7.465 ( 2.321 0.000 2.343) 3.298 7.634 ( -10.760 0.000 -8.351) 13.620 7.866 ( 2.899 0.000 -2.601) 3.895 7.922 ( 10.960 0.000 6.885) 12.943 8.274 ( -7.844 0.000 4.827) 9.210 8.288 ( -2.598 0.000 -7.189) 7.644 8.438 ( -2.289 0.000 -2.124) 3.123 8.876 ( -1.509 0.000 -1.841) 2.381 9.176 ( 2.640 0.000 2.832) 3.872 9.246 ( -4.867 0.000 -3.425) 5.951 9.257 ( 4.481 0.000 3.658) 5.785 9.620 ( 2.941 0.000 9.930) 10.357 10.038 ( 3.538 0.000 1.135) 3.716 10.134 ( -2.948 0.000 -9.176) 9.638 10.937 ( -3.610 0.000 1.194) 3.802 11.028 ( 10.567 0.000 0.807) 10.598 11.386 ( 1.004 0.000 -2.528) 2.720 11.505 ( -9.852 0.000 -5.060) 11.075 11.748 ( 1.070 0.000 -0.017) 1.071 12.089 ( 7.733 0.000 -4.015) 8.713 12.475 ( -3.123 0.000 8.470) 9.027 12.590 ( -1.718 0.000 0.685) 1.849 13.908 ( 0.975 0.000 3.075) 3.226 13.991 ( -0.232 0.000 0.411) 0.472 14.061 ( 1.999 0.000 0.536) 2.069 14.675 ( 13.127 0.000 -14.009) 19.198 15.066 ( -5.031 0.000 10.541) 11.680 15.605 ( -6.385 0.000 3.828) 7.444 15.916 ( 5.832 0.000 -5.434) 7.972 16.287 ( -10.523 0.000 0.537) 10.536 17.429 ( -6.152 0.000 10.672) 12.319 17.770 ( -3.456 0.000 -6.518) 7.377 18.444 ( -5.648 0.000 -4.855) 7.448 19.596 ( 1.743 0.000 4.426) 4.757 19.728 ( 2.332 0.000 -7.454) 7.810 19.916 ( 2.822 0.000 1.653) 3.271 21.194 ( 7.543 0.000 0.565) 7.564 21.326 ( -0.326 0.000 -2.014) 2.040 21.640 ( -6.766 0.000 -2.241) 7.128 21.692 ( -2.561 0.000 5.665) 6.217 22.220 ( -1.458 0.000 1.510) 2.099 22.897 ( 1.360 0.000 -1.662) 2.148 ======================= Grid point 5 (6/132) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.642 ( -0.000 0.000 -0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 -0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 -0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.204 ( -0.000 0.000 -0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.606 ( -0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 -0.000) 0.000 4.902 ( -0.000 0.000 -0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 -0.000) 0.000 5.957 ( -0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 -0.000) 0.000 6.389 ( 0.000 0.000 -0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 -0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 -0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 -0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.283 ( -0.000 0.000 -0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 12.464 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 13.953 ( 0.000 0.000 0.000) 0.000 13.959 ( 0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 16.021 ( -0.000 0.000 0.000) 0.000 16.124 ( 0.000 0.000 0.000) 0.000 17.398 ( 0.000 0.000 0.000) 0.000 17.719 ( 0.000 0.000 -0.000) 0.000 18.372 ( 0.000 0.000 0.000) 0.000 19.630 ( 0.000 0.000 0.000) 0.000 19.727 ( 0.000 0.000 -0.000) 0.000 19.948 ( 0.000 0.000 0.000) 0.000 21.290 ( 0.000 0.000 0.000) 0.000 21.317 ( 0.000 0.000 0.000) 0.000 21.547 ( 0.000 0.000 0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 22.208 ( 0.000 0.000 -0.000) 0.000 22.906 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/132) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 22.394 0.000) 22.394 0.603 ( 0.000 29.731 0.000) 29.731 0.871 ( 0.000 41.817 0.000) 41.817 2.137 ( 0.000 2.628 0.000) 2.628 2.239 ( 0.000 2.232 0.000) 2.232 2.276 ( 0.000 -0.151 0.000) 0.151 2.696 ( 0.000 9.779 0.000) 9.779 3.570 ( 0.000 -2.075 0.000) 2.075 3.734 ( 0.000 4.897 0.000) 4.897 3.775 ( 0.000 -3.781 0.000) 3.781 3.887 ( 0.000 0.870 0.000) 0.870 4.216 ( 0.000 -3.471 0.000) 3.471 4.417 ( 0.000 0.560 0.000) 0.560 4.551 ( 0.000 -12.128 0.000) 12.128 4.821 ( 0.000 2.509 0.000) 2.509 5.152 ( 0.000 -4.627 0.000) 4.627 5.283 ( 0.000 3.513 0.000) 3.513 5.315 ( 0.000 0.030 0.000) 0.030 5.329 ( 0.000 -3.482 0.000) 3.482 5.380 ( 0.000 -3.063 0.000) 3.063 5.759 ( 0.000 -10.731 0.000) 10.731 5.804 ( 0.000 6.921 0.000) 6.921 5.932 ( 0.000 -2.824 0.000) 2.824 6.510 ( 0.000 5.234 0.000) 5.234 6.628 ( 0.000 1.901 0.000) 1.901 6.741 ( 0.000 -1.620 0.000) 1.620 6.782 ( 0.000 -5.386 0.000) 5.386 7.045 ( 0.000 7.374 0.000) 7.374 7.312 ( 0.000 1.387 0.000) 1.387 7.467 ( 0.000 -0.757 0.000) 0.757 7.622 ( 0.000 -1.283 0.000) 1.283 7.668 ( 0.000 1.302 0.000) 1.302 7.878 ( 0.000 11.886 0.000) 11.886 7.901 ( 0.000 -8.442 0.000) 8.442 8.182 ( 0.000 -1.406 0.000) 1.406 8.425 ( 0.000 0.672 0.000) 0.672 8.550 ( 0.000 -1.965 0.000) 1.965 8.569 ( 0.000 5.735 0.000) 5.735 8.922 ( 0.000 -3.559 0.000) 3.559 9.210 ( 0.000 -4.625 0.000) 4.625 9.442 ( 0.000 -2.636 0.000) 2.636 9.465 ( 0.000 9.319 0.000) 9.319 9.765 ( 0.000 5.831 0.000) 5.831 9.851 ( 0.000 -3.045 0.000) 3.045 10.638 ( 0.000 5.834 0.000) 5.834 11.166 ( 0.000 -3.242 0.000) 3.242 11.412 ( 0.000 -6.282 0.000) 6.282 11.420 ( 0.000 6.143 0.000) 6.143 11.689 ( 0.000 0.969 0.000) 0.969 11.995 ( 0.000 -1.047 0.000) 1.047 12.569 ( 0.000 8.771 0.000) 8.771 12.650 ( 0.000 3.641 0.000) 3.641 13.799 ( 0.000 8.005 0.000) 8.005 13.982 ( 0.000 -0.788 0.000) 0.788 14.310 ( 0.000 2.560 0.000) 2.560 15.107 ( 0.000 -5.304 0.000) 5.304 15.347 ( 0.000 2.497 0.000) 2.497 15.545 ( 0.000 4.412 0.000) 4.412 16.128 ( 0.000 -1.824 0.000) 1.824 16.777 ( 0.000 2.816 0.000) 2.816 17.611 ( 0.000 -2.710 0.000) 2.710 18.302 ( 0.000 -16.516 0.000) 16.516 18.735 ( 0.000 -0.399 0.000) 0.399 19.166 ( 0.000 1.842 0.000) 1.842 19.408 ( 0.000 -0.850 0.000) 0.850 19.647 ( 0.000 3.834 0.000) 3.834 19.668 ( 0.000 -2.124 0.000) 2.124 21.463 ( 0.000 -9.244 0.000) 9.244 22.022 ( 0.000 0.531 0.000) 0.531 22.084 ( 0.000 -3.016 0.000) 3.016 22.274 ( 0.000 6.180 0.000) 6.180 22.666 ( 0.000 -0.231 0.000) 0.231 ======================= Grid point 12 (8/132) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 18.820 15.533 -4.135) 24.750 0.830 ( 19.226 19.899 -4.625) 28.054 1.203 ( 24.217 28.224 22.501) 43.467 2.084 ( 4.714 4.551 -22.958) 23.875 2.289 ( 5.905 1.282 -8.335) 10.295 2.392 ( 4.113 0.298 22.697) 23.068 2.719 ( 1.008 10.348 5.039) 11.554 3.568 ( 0.258 -2.290 -0.939) 2.488 3.729 ( -1.496 6.405 2.852) 7.169 3.762 ( 0.338 -3.901 -6.467) 7.560 3.869 ( -1.013 -0.497 0.171) 1.142 4.214 ( 1.956 -5.799 -9.130) 10.992 4.376 ( -7.231 -2.843 -0.544) 7.788 4.525 ( -2.428 -3.312 2.492) 4.804 4.932 ( 10.534 -3.014 -2.352) 11.207 5.052 ( -13.270 1.409 1.537) 13.433 5.105 ( -4.185 -2.829 1.566) 5.288 5.297 ( 0.560 -3.325 -3.595) 4.929 5.320 ( -0.881 -0.240 3.304) 3.428 5.523 ( 9.296 3.873 -5.088) 11.283 5.717 ( -3.926 1.401 -0.368) 4.184 5.847 ( 6.367 -7.587 -0.794) 9.936 5.961 ( 0.401 0.009 7.012) 7.023 6.456 ( -3.278 8.158 -6.213) 10.766 6.568 ( -1.457 -0.593 -4.379) 4.653 6.709 ( -0.450 0.707 5.041) 5.110 6.829 ( 4.435 0.823 4.417) 6.313 7.028 ( -0.334 5.411 -0.431) 5.438 7.277 ( -3.108 1.883 -0.686) 3.698 7.378 ( -2.788 3.775 -0.978) 4.794 7.525 ( -4.725 2.626 -1.565) 5.628 7.696 ( 1.024 0.317 0.374) 1.135 7.821 ( -3.660 4.650 2.697) 6.503 8.015 ( 5.590 -1.851 -6.505) 8.774 8.071 ( -5.728 -1.067 2.869) 6.495 8.466 ( 2.922 -4.015 2.103) 5.393 8.592 ( 10.543 1.359 -0.057) 10.630 8.773 ( 3.127 -0.260 7.577) 8.201 9.091 ( -2.684 -6.705 0.287) 7.228 9.253 ( -2.899 -11.020 0.783) 11.422 9.366 ( -0.237 -1.334 -0.766) 1.556 9.564 ( 0.363 3.721 0.625) 3.790 9.672 ( 2.819 -4.133 1.990) 5.385 10.135 ( 12.276 1.345 6.503) 13.957 10.754 ( 10.596 -1.657 -9.376) 14.245 11.224 ( 6.263 -5.893 -2.761) 9.032 11.327 ( -4.980 5.396 -2.537) 7.769 11.473 ( 0.329 -1.331 6.322) 6.469 11.662 ( -1.359 0.843 -4.140) 4.438 11.889 ( -1.290 -1.414 -7.602) 7.839 12.596 ( -3.875 5.340 1.197) 6.706 12.680 ( 4.070 4.601 2.312) 6.564 13.829 ( 3.020 7.710 -0.357) 8.288 13.944 ( -3.870 0.326 0.326) 3.898 14.126 ( -16.112 18.877 4.100) 25.155 14.567 ( -5.762 12.709 -27.263) 30.626 15.142 ( -1.914 -0.508 1.255) 2.345 15.736 ( -4.551 1.728 23.802) 24.294 16.114 ( -4.474 0.955 0.332) 4.587 16.684 ( -1.741 -3.983 -7.229) 8.435 17.977 ( -21.220 -9.397 18.521) 29.691 18.193 ( 21.237 -21.721 -46.491) 55.536 18.930 ( -6.805 0.766 -6.159) 9.210 19.098 ( 21.771 -7.481 -5.570) 23.685 19.420 ( 5.211 0.968 -6.066) 8.055 19.644 ( 1.299 2.072 -1.065) 2.668 20.302 ( 26.080 -21.069 27.146) 43.139 21.431 ( -0.582 -4.700 -11.546) 12.479 21.770 ( -12.315 -1.851 5.291) 13.530 22.144 ( -2.020 4.172 2.459) 5.247 22.246 ( -2.032 4.184 2.173) 5.134 22.714 ( 4.182 -0.333 -1.850) 4.585 ======================= Grid point 13 (9/132) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 19.241 8.255 6.049) 21.793 1.222 ( 24.054 10.171 -11.228) 28.428 1.895 ( 28.863 14.093 25.249) 40.856 2.116 ( 10.171 4.633 -19.211) 22.225 2.357 ( 7.991 5.216 -18.834) 21.113 2.614 ( 6.007 -0.990 19.780) 20.696 2.827 ( 5.284 8.305 12.646) 16.025 3.564 ( -0.169 -2.079 -1.570) 2.610 3.687 ( -3.277 5.881 -1.541) 6.907 3.718 ( -0.805 -4.044 -7.697) 8.732 3.855 ( -1.215 -2.273 0.365) 2.603 4.142 ( -5.171 -6.209 1.150) 8.162 4.334 ( 4.964 -2.316 -8.356) 9.991 4.434 ( -5.755 4.608 -0.353) 7.381 4.834 ( -9.570 -0.859 3.176) 10.119 4.979 ( -6.414 -6.608 4.007) 10.043 5.121 ( 3.868 -0.469 -4.448) 5.913 5.244 ( -4.053 -2.666 -4.980) 6.953 5.412 ( 6.331 -0.648 7.317) 9.698 5.586 ( 3.050 3.921 -10.028) 11.191 5.753 ( 6.750 -1.960 -2.203) 7.366 5.947 ( 4.109 -8.889 -3.736) 10.481 6.026 ( 1.654 3.751 10.925) 11.669 6.346 ( -3.224 6.959 -5.527) 9.454 6.573 ( 2.174 0.105 1.690) 2.756 6.740 ( 0.172 2.219 -0.094) 2.228 6.926 ( 1.424 -2.698 3.921) 4.969 7.058 ( 1.939 0.631 3.274) 3.857 7.220 ( -2.122 4.256 5.245) 7.080 7.310 ( -4.117 6.235 -1.356) 7.594 7.438 ( -1.985 1.875 -1.338) 3.041 7.687 ( -1.761 -0.515 0.285) 1.857 7.783 ( -0.209 1.576 0.673) 1.726 7.942 ( -4.694 -2.989 -3.703) 6.684 8.153 ( 8.256 1.624 -5.204) 9.893 8.558 ( 1.684 -7.736 5.367) 9.564 8.719 ( 1.327 -0.728 -1.725) 2.294 8.835 ( -3.820 -1.767 2.313) 4.802 9.047 ( 1.585 0.772 -1.067) 2.061 9.100 ( -5.516 2.838 7.729) 9.910 9.376 ( 0.682 -6.257 -2.310) 6.705 9.541 ( -0.676 3.190 0.500) 3.299 9.780 ( 5.381 -3.864 -0.930) 6.689 10.308 ( 3.310 6.592 4.741) 8.768 10.846 ( 3.483 0.479 -6.786) 7.643 11.193 ( -5.370 9.344 -1.790) 10.925 11.343 ( 5.621 -5.674 -8.468) 11.640 11.512 ( 1.068 -5.515 7.019) 8.990 11.638 ( 2.552 -5.073 -7.865) 9.701 11.909 ( 3.844 -0.089 -1.662) 4.189 12.507 ( -6.023 2.954 5.728) 8.822 12.719 ( -1.455 4.739 3.497) 6.067 13.890 ( -0.547 0.922 2.765) 2.966 13.911 ( 4.696 5.278 -1.159) 7.159 13.966 ( -3.315 9.975 0.652) 10.531 14.485 ( 4.255 2.397 -15.580) 16.328 15.111 ( -2.989 -1.061 5.085) 5.993 15.733 ( -5.422 -0.078 12.264) 13.410 15.997 ( -6.244 0.782 0.028) 6.292 16.585 ( -3.779 -5.822 -10.629) 12.695 17.674 ( -18.374 -5.725 22.602) 29.686 18.120 ( -3.810 -7.406 -24.660) 26.028 18.775 ( -7.659 -3.994 -1.398) 8.750 19.409 ( 12.235 -1.798 -11.139) 16.644 19.564 ( 9.610 -3.780 1.636) 10.456 19.681 ( 3.438 2.172 -1.318) 4.275 20.753 ( 12.102 -10.699 9.080) 18.531 21.343 ( -0.448 -3.657 -11.721) 12.286 21.657 ( -4.688 -5.001 7.562) 10.207 22.056 ( -7.272 4.873 1.955) 8.969 22.233 ( -1.175 1.099 3.788) 4.116 22.787 ( 4.033 -1.448 -2.774) 5.104 ======================= Grid point 14 (10/132) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 18.429 4.264 8.052) 20.558 1.626 ( 21.193 4.891 -9.433) 23.708 2.221 ( 11.885 2.235 -16.693) 20.613 2.369 ( 8.736 3.453 -11.244) 14.652 2.651 ( 24.274 9.119 21.027) 33.385 2.821 ( 5.113 -1.745 14.796) 15.752 2.991 ( 1.972 3.479 8.183) 9.108 3.560 ( 1.420 0.649 -2.002) 2.539 3.608 ( -2.178 1.580 0.221) 2.699 3.662 ( 1.092 -2.357 -12.026) 12.303 3.800 ( -4.357 0.421 2.806) 5.199 4.076 ( -5.303 -3.009 0.494) 6.117 4.305 ( -0.553 6.376 3.249) 7.177 4.471 ( 7.882 -1.547 -7.270) 10.834 4.700 ( -6.487 -3.487 3.725) 8.253 4.844 ( -8.145 -4.936 2.324) 9.803 5.069 ( -8.247 2.714 -0.836) 8.722 5.107 ( -3.140 -0.372 -10.408) 10.878 5.575 ( -1.661 -1.041 -8.942) 9.154 5.588 ( 6.225 -1.269 6.906) 9.383 5.824 ( 4.414 0.582 -11.170) 12.025 6.031 ( 7.488 -7.366 -3.285) 11.005 6.155 ( 4.177 2.543 16.042) 16.771 6.316 ( 1.470 4.546 -0.684) 4.826 6.635 ( 2.632 0.435 1.112) 2.890 6.705 ( -2.594 2.823 -0.738) 3.904 6.896 ( -4.020 -1.086 2.194) 4.707 7.111 ( -1.262 -2.156 3.314) 4.151 7.141 ( -4.991 5.383 2.649) 7.804 7.360 ( 5.689 1.843 4.348) 7.393 7.413 ( -0.972 3.172 -1.963) 3.855 7.691 ( 3.007 -3.116 1.611) 4.620 7.816 ( 2.734 0.944 0.892) 3.026 7.826 ( -4.225 -1.001 -6.122) 7.505 8.232 ( 0.556 -2.681 -6.384) 6.947 8.472 ( -8.199 -1.450 -2.795) 8.783 8.668 ( -7.796 4.424 -0.246) 8.967 8.762 ( 3.163 -7.077 0.922) 7.807 9.083 ( 0.969 -1.235 2.315) 2.797 9.147 ( 0.347 1.521 6.138) 6.333 9.416 ( 4.594 2.420 -1.809) 5.499 9.550 ( 0.593 2.091 5.626) 6.031 9.884 ( 5.797 -1.740 -0.662) 6.089 10.331 ( -1.561 7.583 -2.577) 8.160 10.884 ( 4.070 2.247 -1.239) 4.811 11.092 ( -3.962 7.059 -1.667) 8.264 11.371 ( 2.409 -1.552 -5.944) 6.599 11.548 ( -0.344 -10.032 -4.332) 10.933 11.665 ( 1.915 -3.955 -0.185) 4.398 11.992 ( 5.491 2.200 -1.527) 6.109 12.439 ( -4.670 -2.067 8.763) 10.142 12.686 ( -3.109 4.018 2.760) 5.781 13.869 ( -2.383 -2.852 3.047) 4.806 13.971 ( 1.510 2.750 0.834) 3.246 14.008 ( 4.371 2.835 0.252) 5.216 14.530 ( 8.524 0.542 -14.430) 16.769 15.080 ( -3.743 -1.476 8.304) 9.227 15.652 ( -7.357 -4.363 6.158) 10.539 15.903 ( -2.035 0.059 -2.484) 3.212 16.428 ( -7.542 -5.383 -4.886) 10.476 17.494 ( -10.817 -3.286 16.475) 19.981 17.900 ( -7.139 -3.760 -12.170) 14.602 18.607 ( -7.260 -0.900 -3.596) 8.151 19.527 ( 5.188 -0.351 -4.421) 6.825 19.689 ( 3.447 -2.054 -2.547) 4.753 19.797 ( 6.524 -0.596 1.726) 6.775 20.978 ( 8.504 -4.858 3.979) 10.571 21.301 ( 0.748 -4.720 -6.689) 8.221 21.614 ( -3.187 -4.325 3.826) 6.596 21.899 ( -9.007 3.221 1.796) 9.733 22.231 ( -1.229 0.071 3.501) 3.711 22.837 ( 2.510 -2.774 -2.753) 4.645 ======================= Grid point 15 (11/132) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 15.610 4.556 3.708) 16.679 1.924 ( 11.648 2.695 -3.462) 12.447 2.385 ( 12.685 0.030 -12.376) 17.722 2.476 ( 6.385 1.697 -4.348) 7.909 2.879 ( -10.935 -1.458 3.362) 11.532 2.993 ( 2.752 -2.855 3.990) 5.625 3.107 ( 8.576 2.640 17.874) 20.000 3.505 ( -3.796 -2.760 -2.714) 5.422 3.602 ( -1.242 -2.652 -4.330) 5.227 3.775 ( 5.463 -1.300 2.732) 6.245 3.848 ( 14.544 9.215 5.103) 17.957 3.922 ( -3.112 5.633 -6.253) 8.973 4.417 ( 4.846 3.859 6.725) 9.143 4.492 ( -6.302 1.274 -1.680) 6.645 4.609 ( -2.249 -7.284 2.720) 8.094 4.741 ( -4.145 -0.398 -1.757) 4.520 4.852 ( -8.239 0.768 -3.826) 9.116 5.001 ( -3.587 1.151 -7.792) 8.655 5.427 ( -5.945 -0.562 -5.863) 8.368 5.749 ( 7.912 -1.350 2.062) 8.287 5.840 ( 2.619 5.172 -10.315) 11.833 6.104 ( -3.156 -4.860 3.098) 6.571 6.343 ( 3.193 -1.427 3.823) 5.182 6.367 ( 5.401 1.635 12.143) 13.390 6.678 ( 2.002 -0.886 -2.393) 3.243 6.701 ( 3.864 -0.034 -0.327) 3.878 6.866 ( -0.369 4.279 1.588) 4.579 6.995 ( -5.023 0.644 1.477) 5.275 7.152 ( -0.458 -4.084 1.679) 4.439 7.336 ( -4.643 5.204 -3.936) 8.008 7.469 ( 2.814 0.438 2.714) 3.934 7.665 ( -6.652 2.162 -7.831) 10.500 7.793 ( 3.716 -5.285 -1.285) 6.587 7.951 ( 8.046 2.292 7.623) 11.318 8.111 ( -6.596 -8.439 -0.421) 10.720 8.320 ( -5.066 1.671 -6.049) 8.065 8.603 ( -0.285 10.139 1.477) 10.250 8.793 ( -0.450 -6.266 -1.911) 6.566 9.047 ( -2.564 -8.433 -1.443) 8.932 9.205 ( 1.767 2.264 3.339) 4.404 9.478 ( 2.333 9.714 -0.423) 9.999 9.636 ( 2.817 -0.142 7.619) 8.124 9.999 ( 5.511 0.233 0.714) 5.562 10.239 ( -4.466 7.661 -5.902) 10.652 10.971 ( -0.187 2.959 4.272) 5.200 11.061 ( 5.790 3.506 -2.674) 7.278 11.386 ( 1.467 -1.032 -4.199) 4.565 11.444 ( -6.761 -4.932 -4.647) 9.573 11.689 ( 0.193 -5.024 1.340) 5.203 12.103 ( 6.261 0.919 -3.203) 7.092 12.407 ( -3.166 -5.019 7.092) 9.247 12.641 ( -2.272 3.582 1.681) 4.563 13.863 ( 0.523 -4.055 2.599) 4.845 13.974 ( -1.848 -1.779 0.289) 2.581 14.073 ( 1.922 0.992 0.268) 2.180 14.659 ( 10.897 -1.819 -12.269) 16.510 15.046 ( -4.787 -1.862 9.633) 10.917 15.532 ( -6.449 -6.828 2.699) 9.772 15.907 ( 4.517 -1.209 -4.547) 6.523 16.243 ( -9.736 -4.124 0.660) 10.594 17.408 ( -5.023 -1.876 8.899) 10.389 17.732 ( -4.552 -3.932 -5.744) 8.317 18.473 ( -3.971 3.106 -3.243) 5.995 19.586 ( 1.911 -1.206 0.626) 2.345 19.722 ( 1.899 -0.883 -3.976) 4.494 19.899 ( 2.925 -1.249 1.341) 3.452 21.154 ( 7.190 -3.969 2.788) 8.673 21.288 ( 0.466 -3.494 -3.056) 4.665 21.559 ( -3.637 -4.232 -0.248) 5.586 21.748 ( -6.281 1.377 2.145) 6.778 22.222 ( -1.048 0.497 1.975) 2.291 22.859 ( 1.103 -3.590 -1.715) 4.129 ======================= Grid point 16 (12/132) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.000 2.362 0.000) 2.362 2.052 ( -0.000 7.047 0.000) 7.047 2.520 ( 0.000 1.266 0.000) 1.266 2.610 ( -0.000 -1.989 0.000) 1.989 2.629 ( 0.000 -6.768 0.000) 6.768 3.033 ( 0.000 1.275 0.000) 1.275 3.244 ( 0.000 0.219 0.000) 0.219 3.432 ( 0.000 -2.372 0.000) 2.372 3.572 ( 0.000 -2.219 0.000) 2.219 3.769 ( 0.000 1.159 -0.000) 1.159 3.948 ( 0.000 1.895 0.000) 1.895 4.219 ( -0.000 1.463 -0.000) 1.463 4.360 ( 0.000 4.049 -0.000) 4.049 4.396 ( 0.000 11.582 0.000) 11.582 4.576 ( 0.000 -4.730 0.000) 4.730 4.642 ( 0.000 1.108 -0.000) 1.108 4.844 ( 0.000 -1.558 -0.000) 1.558 4.899 ( 0.000 -2.029 0.000) 2.029 5.348 ( 0.000 0.305 0.000) 0.305 5.819 ( 0.000 7.282 -0.000) 7.282 5.929 ( -0.000 -2.333 0.000) 2.333 5.977 ( 0.000 -0.634 -0.000) 0.634 6.374 ( 0.000 -1.209 0.000) 1.209 6.497 ( 0.000 -4.043 0.000) 4.043 6.719 ( 0.000 0.582 0.000) 0.582 6.771 ( 0.000 3.298 0.000) 3.298 6.807 ( -0.000 -4.811 0.000) 4.811 7.000 ( 0.000 0.878 0.000) 0.878 7.187 ( 0.000 -2.670 0.000) 2.670 7.198 ( -0.000 2.911 -0.000) 2.911 7.520 ( 0.000 1.050 0.000) 1.050 7.539 ( -0.000 8.679 -0.000) 8.679 7.827 ( 0.000 -5.381 0.000) 5.381 8.016 ( 0.000 -11.655 0.000) 11.655 8.154 ( 0.000 1.837 0.000) 1.837 8.200 ( 0.000 2.646 0.000) 2.646 8.612 ( 0.000 11.825 0.000) 11.825 8.763 ( 0.000 -6.575 -0.000) 6.575 9.017 ( 0.000 -8.824 0.000) 8.824 9.230 ( 0.000 2.112 0.000) 2.112 9.506 ( 0.000 10.055 0.000) 10.055 9.690 ( 0.000 -1.250 0.000) 1.250 10.094 ( 0.000 2.271 0.000) 2.271 10.135 ( 0.000 7.167 -0.000) 7.167 10.960 ( 0.000 5.611 0.000) 5.611 11.225 ( 0.000 -2.285 0.000) 2.285 11.262 ( -0.000 -2.113 -0.000) 2.113 11.396 ( 0.000 0.493 -0.000) 0.493 11.694 ( 0.000 -5.793 0.000) 5.793 12.165 ( 0.000 0.528 0.000) 0.528 12.392 ( 0.000 -5.868 0.000) 5.868 12.622 ( 0.000 3.483 0.000) 3.483 13.906 ( 0.000 -4.610 0.000) 4.610 13.922 ( 0.000 -3.066 0.000) 3.066 14.091 ( 0.000 0.652 0.000) 0.652 14.759 ( 0.000 -4.169 0.000) 4.169 15.011 ( 0.000 -1.529 0.000) 1.529 15.466 ( 0.000 -6.930 0.000) 6.930 15.991 ( 0.000 -2.861 0.000) 2.861 16.096 ( 0.000 -2.661 0.000) 2.661 17.383 ( 0.000 -1.311 0.000) 1.311 17.669 ( 0.000 -4.535 -0.000) 4.535 18.424 ( 0.000 4.836 0.000) 4.836 19.608 ( 0.000 -1.987 0.000) 1.987 19.729 ( 0.000 -0.312 -0.000) 0.312 19.931 ( 0.000 -1.319 0.000) 1.319 21.251 ( 0.000 -3.758 0.000) 3.758 21.287 ( 0.000 -2.860 0.000) 2.860 21.499 ( 0.000 -3.877 0.000) 3.877 21.693 ( 0.000 0.012 0.000) 0.012 22.216 ( 0.000 0.875 -0.000) 0.875 22.865 ( 0.000 -3.863 0.000) 3.863 ======================= Grid point 22 (13/132) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 22.099 0.000) 22.099 1.185 ( 0.000 28.389 0.000) 28.389 1.594 ( 0.000 26.738 0.000) 26.738 2.224 ( 0.000 5.965 0.000) 5.965 2.289 ( 0.000 3.546 0.000) 3.546 2.355 ( 0.000 10.196 0.000) 10.196 2.945 ( 0.000 13.953 0.000) 13.953 3.495 ( 0.000 -5.586 0.000) 5.586 3.677 ( 0.000 -5.602 0.000) 5.602 3.819 ( 0.000 0.537 0.000) 0.537 3.952 ( 0.000 7.212 0.000) 7.212 4.099 ( 0.000 -8.249 0.000) 8.249 4.300 ( 0.000 -10.828 0.000) 10.828 4.446 ( 0.000 2.337 0.000) 2.337 4.877 ( 0.000 2.845 0.000) 2.845 5.064 ( 0.000 -3.684 0.000) 3.684 5.110 ( 0.000 -12.020 0.000) 12.020 5.295 ( 0.000 -1.387 0.000) 1.387 5.325 ( 0.000 -0.906 0.000) 0.906 5.462 ( 0.000 6.560 0.000) 6.560 5.567 ( 0.000 -8.110 0.000) 8.110 5.872 ( 0.000 -2.804 0.000) 2.804 5.942 ( 0.000 6.582 0.000) 6.582 6.463 ( 0.000 -3.103 0.000) 3.103 6.659 ( 0.000 -3.229 0.000) 3.229 6.778 ( 0.000 2.546 0.000) 2.546 6.792 ( 0.000 6.029 0.000) 6.029 7.160 ( 0.000 2.198 0.000) 2.198 7.370 ( 0.000 5.689 0.000) 5.689 7.443 ( 0.000 -2.430 0.000) 2.430 7.570 ( 0.000 -3.340 0.000) 3.340 7.649 ( 0.000 -6.048 0.000) 6.048 7.752 ( 0.000 -2.379 0.000) 2.379 8.053 ( 0.000 0.443 0.000) 0.443 8.153 ( 0.000 2.814 0.000) 2.814 8.391 ( 0.000 -2.563 0.000) 2.563 8.583 ( 0.000 5.538 0.000) 5.538 8.732 ( 0.000 4.945 0.000) 4.945 8.860 ( 0.000 1.402 0.000) 1.402 9.112 ( 0.000 -4.477 0.000) 4.477 9.381 ( 0.000 -3.442 0.000) 3.442 9.695 ( 0.000 12.476 0.000) 12.476 9.748 ( 0.000 -7.117 0.000) 7.117 9.881 ( 0.000 5.421 0.000) 5.421 10.783 ( 0.000 7.848 0.000) 7.848 11.144 ( 0.000 0.898 0.000) 0.898 11.312 ( 0.000 -2.599 0.000) 2.599 11.524 ( 0.000 4.177 0.000) 4.177 11.720 ( 0.000 2.187 0.000) 2.187 11.966 ( 0.000 -1.891 0.000) 1.891 12.740 ( 0.000 4.977 0.000) 4.977 12.760 ( 0.000 9.263 0.000) 9.263 13.972 ( 0.000 0.182 0.000) 0.182 13.989 ( 0.000 9.728 0.000) 9.728 14.374 ( 0.000 3.680 0.000) 3.680 14.978 ( 0.000 -7.137 0.000) 7.137 15.408 ( 0.000 3.836 0.000) 3.836 15.675 ( 0.000 8.524 0.000) 8.524 16.081 ( 0.000 -2.710 0.000) 2.710 16.854 ( 0.000 4.760 0.000) 4.760 17.510 ( 0.000 -8.339 0.000) 8.339 17.934 ( 0.000 -17.914 0.000) 17.914 18.730 ( 0.000 0.102 0.000) 0.102 19.165 ( 0.000 -1.925 0.000) 1.925 19.389 ( 0.000 -0.976 0.000) 0.976 19.608 ( 0.000 -3.665 0.000) 3.665 19.755 ( 0.000 6.731 0.000) 6.731 21.221 ( 0.000 -14.241 0.000) 14.241 22.029 ( 0.000 0.114 0.000) 0.114 22.036 ( 0.000 -1.866 0.000) 1.866 22.401 ( 0.000 6.142 0.000) 6.142 22.654 ( 0.000 -0.946 0.000) 0.946 ======================= Grid point 23 (14/132) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 12.862 19.330 -4.615) 23.672 1.260 ( 8.307 21.871 -5.213) 23.969 1.746 ( 10.698 20.993 18.001) 29.652 2.206 ( 4.613 7.217 -18.882) 20.734 2.378 ( 6.299 4.155 8.092) 11.064 2.440 ( 5.301 10.353 7.096) 13.625 2.958 ( 0.594 12.120 0.979) 12.174 3.498 ( 0.473 -4.713 0.075) 4.737 3.665 ( 0.286 -5.295 -5.603) 7.715 3.811 ( -1.500 -2.770 1.865) 3.660 3.921 ( -2.599 8.507 -0.287) 8.900 4.066 ( -0.458 -6.779 -8.110) 10.580 4.269 ( -2.648 -7.125 1.585) 7.765 4.494 ( 2.401 0.471 3.957) 4.652 4.862 ( -4.234 -5.118 -1.964) 6.927 5.002 ( -0.071 -0.926 -3.393) 3.517 5.162 ( -6.680 4.848 3.020) 8.789 5.189 ( 3.340 -7.592 -1.522) 8.433 5.316 ( -0.509 0.076 2.714) 2.762 5.527 ( 5.613 -3.900 -0.993) 6.907 5.682 ( 6.056 -1.152 0.894) 6.230 5.813 ( -1.464 1.867 -8.193) 8.530 5.986 ( 1.959 1.981 8.310) 8.764 6.460 ( -0.257 -4.054 -4.008) 5.706 6.655 ( 0.668 -1.039 1.594) 2.017 6.697 ( -2.030 7.241 -6.093) 9.679 6.861 ( 0.186 0.609 8.687) 8.710 7.121 ( -2.146 1.729 -2.859) 3.971 7.305 ( -2.335 1.326 -5.045) 5.715 7.462 ( 0.035 3.583 3.041) 4.700 7.560 ( -2.893 -1.229 1.431) 3.454 7.690 ( 1.385 -0.355 1.429) 2.022 7.757 ( 0.377 -6.288 2.480) 6.770 7.965 ( -6.909 -2.912 0.046) 7.498 8.155 ( 2.252 7.157 -0.969) 7.566 8.407 ( 1.695 -2.609 -3.498) 4.681 8.650 ( 5.953 4.209 0.606) 7.316 8.787 ( 3.678 -0.030 1.788) 4.089 8.971 ( 6.690 -1.871 1.190) 7.048 9.070 ( -3.144 -5.478 -1.277) 6.444 9.323 ( -5.456 -3.579 1.628) 6.726 9.634 ( -4.396 0.492 0.041) 4.424 9.748 ( 4.043 9.700 1.381) 10.599 10.125 ( 15.616 -1.423 -1.222) 15.728 10.836 ( 5.082 6.568 -1.281) 8.403 11.149 ( 1.622 -0.737 -4.005) 4.384 11.332 ( 1.129 -2.062 3.795) 4.464 11.498 ( -3.274 3.409 2.624) 5.406 11.731 ( -0.385 4.511 -0.725) 4.585 11.882 ( -5.003 -0.554 -1.191) 5.172 12.700 ( -4.102 5.222 0.835) 6.692 12.787 ( 1.585 5.758 0.122) 5.974 13.932 ( -3.606 -0.387 -0.009) 3.626 14.011 ( 1.651 9.278 1.079) 9.485 14.321 ( -6.423 4.972 2.878) 8.618 14.756 ( -15.321 2.552 -10.647) 18.831 15.186 ( -5.358 5.918 -4.177) 9.010 15.788 ( -2.258 3.722 12.697) 13.423 16.103 ( -0.141 -2.446 -3.485) 4.260 16.633 ( -12.537 -0.900 1.011) 12.610 17.752 ( -15.104 -14.550 13.338) 24.854 17.812 ( 19.100 -13.495 -22.366) 32.360 18.946 ( -1.752 -0.657 -11.157) 11.313 18.992 ( 11.016 -2.350 2.310) 11.498 19.408 ( 3.233 -1.438 -3.585) 5.038 19.676 ( 3.035 0.308 -3.371) 4.547 20.070 ( 18.742 -4.783 25.664) 32.137 21.250 ( 4.323 -12.290 -8.503) 15.558 21.766 ( -13.027 1.071 -0.510) 13.081 22.152 ( -0.381 -2.235 1.132) 2.534 22.353 ( -3.549 6.035 1.570) 7.175 22.696 ( 3.359 -1.372 -1.372) 3.879 ======================= Grid point 24 (15/132) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 14.159 14.037 1.004) 19.963 1.452 ( 14.719 11.895 -7.087) 20.208 2.143 ( 14.546 8.789 13.749) 21.860 2.241 ( 10.077 7.593 -12.232) 17.573 2.565 ( 10.382 10.251 -7.292) 16.311 2.613 ( 6.249 5.358 16.253) 18.218 2.983 ( 0.642 5.001 5.094) 7.167 3.524 ( 2.350 -1.842 -0.494) 3.027 3.625 ( -0.788 -4.610 -7.333) 8.697 3.746 ( -5.149 -5.880 -3.250) 8.465 3.883 ( -0.831 10.130 2.520) 10.472 4.028 ( -0.314 -2.288 -0.980) 2.508 4.263 ( 3.711 -4.576 -4.710) 7.544 4.540 ( -0.346 5.398 3.495) 6.440 4.718 ( -7.264 -8.200 -1.003) 11.001 4.917 ( -7.638 0.135 4.018) 8.631 5.152 ( 0.987 -0.686 -4.104) 4.276 5.195 ( -0.538 1.020 -1.248) 1.700 5.406 ( 6.757 -0.058 4.465) 8.100 5.625 ( 0.147 -4.123 -3.014) 5.109 5.713 ( 7.442 2.700 -7.067) 10.612 5.828 ( 3.410 -2.156 -5.914) 7.159 6.092 ( 2.704 1.687 10.357) 10.836 6.392 ( -3.634 -3.308 -0.796) 4.978 6.668 ( 2.323 10.183 -5.115) 11.629 6.713 ( 3.021 -3.550 1.219) 4.818 6.879 ( -2.309 -2.818 5.970) 6.994 7.064 ( -2.814 -1.800 -0.380) 3.362 7.270 ( 0.116 1.093 1.161) 1.599 7.456 ( -7.192 3.294 -0.005) 7.910 7.482 ( 0.552 4.079 1.941) 4.551 7.655 ( -3.369 -2.648 -0.578) 4.324 7.806 ( 1.246 1.721 4.817) 5.265 7.859 ( -2.318 -3.617 -3.217) 5.366 8.226 ( 4.510 5.288 -2.932) 7.544 8.435 ( 1.853 -4.791 -0.718) 5.187 8.682 ( -2.335 -2.132 -3.445) 4.677 8.847 ( -2.502 1.515 2.634) 3.936 9.022 ( 2.120 -1.866 -1.014) 3.001 9.121 ( 7.551 -1.927 2.833) 8.292 9.233 ( -2.618 -4.570 -0.080) 5.268 9.593 ( -0.582 1.669 0.787) 1.935 9.848 ( 5.339 8.458 0.742) 10.029 10.364 ( 8.035 -0.845 -0.080) 8.080 10.923 ( 3.228 6.041 -0.988) 6.921 11.179 ( 4.740 -6.699 -7.684) 11.242 11.361 ( -2.163 5.681 1.487) 6.258 11.450 ( -2.492 -1.418 6.767) 7.349 11.643 ( -3.164 5.289 -6.068) 8.648 11.880 ( 2.669 -2.515 2.784) 4.604 12.590 ( -7.567 4.753 2.271) 9.220 12.793 ( -1.393 2.973 0.894) 3.403 13.854 ( -4.222 -2.380 1.844) 5.186 14.052 ( 1.450 7.173 0.651) 7.347 14.163 ( -8.676 7.490 1.169) 11.521 14.527 ( -1.480 0.628 -11.176) 11.291 15.111 ( -3.453 2.030 2.698) 4.830 15.724 ( -8.934 -0.722 7.047) 11.402 16.002 ( -7.198 -0.821 0.143) 7.246 16.444 ( -6.190 -7.548 -6.067) 11.493 17.540 ( -12.565 -7.018 16.234) 21.695 17.898 ( 1.129 -13.167 -17.123) 21.629 18.759 ( -7.389 2.158 -0.960) 7.758 19.332 ( 15.416 -5.304 -6.798) 17.663 19.486 ( 5.804 -3.485 -0.807) 6.818 19.727 ( 3.955 1.856 -1.750) 4.706 20.540 ( 14.758 -9.098 18.377) 25.264 21.249 ( 1.395 -6.163 -14.094) 15.445 21.594 ( -4.552 -1.654 3.330) 5.877 22.052 ( -8.475 -3.694 0.516) 9.260 22.307 ( -2.928 5.359 3.678) 7.129 22.744 ( 2.361 -2.659 -2.406) 4.294 ======================= Grid point 25 (16/132) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 15.963 8.304 4.902) 18.649 1.737 ( 15.634 5.780 -4.643) 17.303 2.285 ( 8.515 4.287 -12.764) 15.932 2.464 ( 6.645 5.368 -5.921) 10.393 2.791 ( 8.980 0.068 14.500) 17.056 2.860 ( 11.713 8.287 15.027) 20.777 2.996 ( -2.814 -2.523 1.707) 4.147 3.527 ( -4.902 -5.734 -2.428) 7.925 3.562 ( 0.840 -3.773 -8.693) 9.513 3.671 ( 1.761 0.629 -3.579) 4.038 3.913 ( 2.004 8.628 3.895) 9.676 4.040 ( 1.417 3.171 0.747) 3.553 4.357 ( 7.014 -2.104 -2.972) 7.903 4.526 ( -1.201 7.154 -0.331) 7.261 4.605 ( -4.515 -3.027 3.689) 6.569 4.797 ( -5.391 0.233 1.632) 5.637 5.057 ( -6.331 -2.650 -3.250) 7.594 5.175 ( -2.862 5.893 -2.605) 7.050 5.554 ( -2.051 -0.995 -9.528) 9.797 5.561 ( 5.169 -1.165 4.755) 7.120 5.857 ( 6.167 1.971 -8.969) 11.061 5.897 ( 9.763 -4.345 -2.432) 10.960 6.179 ( 0.922 -1.207 10.570) 10.679 6.370 ( -0.266 0.472 5.850) 5.875 6.705 ( 3.167 5.811 -6.732) 9.440 6.726 ( -2.210 0.652 -0.568) 2.373 6.860 ( -0.889 -3.772 5.853) 7.020 7.027 ( -1.180 -5.138 2.506) 5.837 7.207 ( -9.316 -1.213 1.811) 9.567 7.383 ( 1.436 0.993 -0.042) 1.746 7.489 ( -1.032 2.432 -1.756) 3.172 7.628 ( 1.454 -1.727 0.559) 2.326 7.785 ( -2.414 -1.842 -2.300) 3.809 7.892 ( 3.940 5.694 5.321) 8.733 8.197 ( -7.236 -0.731 -3.032) 7.879 8.448 ( 0.374 -0.121 -6.295) 6.307 8.613 ( -0.141 -4.670 -2.962) 5.532 8.803 ( -1.802 4.700 4.535) 6.775 9.014 ( -2.430 -2.708 -3.140) 4.807 9.206 ( 0.571 2.820 5.181) 5.926 9.358 ( 11.392 -6.692 -0.331) 13.217 9.601 ( 0.245 2.169 2.555) 3.360 9.970 ( 6.484 8.828 0.677) 10.975 10.445 ( 0.639 2.899 -0.946) 3.116 10.959 ( 1.261 4.884 1.620) 5.298 11.232 ( 4.922 -9.951 -10.958) 15.599 11.272 ( -4.477 9.913 -2.388) 11.136 11.439 ( -3.211 -2.615 6.111) 7.382 11.614 ( 1.586 0.267 -4.050) 4.358 11.970 ( 4.548 -3.698 3.662) 6.911 12.444 ( -8.264 2.231 4.154) 9.514 12.753 ( -2.722 2.693 0.927) 3.940 13.790 ( -3.647 -4.622 3.307) 6.753 14.012 ( -4.746 0.942 -0.489) 4.863 14.092 ( 0.273 4.824 -0.204) 4.836 14.517 ( 5.093 -2.449 -9.613) 11.151 15.058 ( -4.413 -0.152 6.254) 7.656 15.540 ( -11.318 -6.472 3.479) 13.494 15.885 ( -3.390 -1.972 -1.736) 4.289 16.294 ( -6.829 -7.508 -2.962) 10.573 17.422 ( -7.050 -3.460 10.856) 13.399 17.766 ( -5.684 -8.985 -8.755) 13.773 18.638 ( -4.612 4.153 -0.315) 6.215 19.497 ( 7.096 -2.406 -9.590) 12.170 19.603 ( 3.961 -6.028 3.161) 7.875 19.814 ( 4.766 1.636 -0.001) 5.039 20.847 ( 8.900 -7.442 10.995) 15.984 21.206 ( 1.869 -3.887 -9.982) 10.874 21.559 ( -2.058 -2.255 1.165) 3.267 21.866 ( -9.770 -5.642 0.683) 11.303 22.272 ( -2.557 3.814 4.024) 6.105 22.764 ( 1.062 -4.285 -2.591) 5.119 ======================= Grid point 26 (17/132) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 14.181 3.679 4.483) 15.321 1.985 ( 13.268 5.233 -1.868) 14.385 2.389 ( 7.813 0.358 -10.959) 13.463 2.504 ( 0.243 0.888 -0.104) 0.926 2.819 ( -12.311 -4.356 -0.361) 13.063 2.994 ( 5.743 3.287 9.140) 11.284 3.178 ( 7.068 3.730 11.522) 14.022 3.416 ( -3.781 -6.516 -3.791) 8.434 3.528 ( 0.279 -3.885 -6.136) 7.268 3.743 ( 5.865 -1.609 1.088) 6.178 3.921 ( -1.670 0.649 -3.523) 3.952 4.155 ( 8.828 12.303 3.458) 15.532 4.418 ( -2.397 -7.869 0.636) 8.251 4.526 ( -3.671 2.069 -1.320) 4.416 4.575 ( 6.071 9.618 2.095) 11.565 4.772 ( 2.496 2.513 0.590) 3.591 4.884 ( -9.689 3.794 -0.852) 10.440 5.063 ( -5.851 5.535 -4.698) 9.324 5.425 ( -4.135 0.653 -5.956) 7.280 5.716 ( 7.701 -1.880 1.903) 8.152 5.928 ( 3.842 0.706 -5.912) 7.086 6.022 ( 1.606 -0.293 -0.410) 1.683 6.268 ( 4.028 -5.246 4.227) 7.849 6.413 ( -1.038 1.964 10.941) 11.164 6.649 ( -0.356 -1.438 -1.487) 2.099 6.741 ( 2.074 2.576 -4.726) 5.769 6.919 ( 1.177 0.172 4.471) 4.626 7.008 ( -3.195 0.166 -0.252) 3.210 7.056 ( -2.441 -4.753 3.220) 6.238 7.371 ( -4.637 -4.654 -8.346) 10.621 7.446 ( 0.580 -0.477 1.524) 1.699 7.687 ( 3.249 -0.388 1.212) 3.490 7.716 ( -3.113 -2.915 -2.287) 4.839 7.986 ( -10.227 -1.996 -1.739) 10.564 8.054 ( 7.682 6.682 9.328) 13.808 8.376 ( -2.766 4.378 -7.419) 9.048 8.633 ( 1.549 -5.418 -2.182) 6.043 8.812 ( -0.083 5.562 2.916) 6.281 8.934 ( -2.590 -1.303 -3.439) 4.498 9.251 ( 1.242 2.108 2.653) 3.609 9.544 ( 6.714 -5.920 -0.016) 8.951 9.627 ( 0.512 2.930 3.769) 4.801 10.103 ( 6.102 8.628 0.509) 10.580 10.398 ( -3.692 7.552 -1.487) 8.537 11.021 ( 3.254 1.569 4.838) 6.037 11.187 ( -1.695 8.971 -4.190) 10.045 11.247 ( 2.002 -10.300 -11.257) 15.389 11.391 ( -4.281 -3.501 5.339) 7.686 11.613 ( -0.185 -0.421 -1.421) 1.494 12.093 ( 6.142 -3.026 0.967) 6.915 12.322 ( -6.400 -2.251 4.460) 8.119 12.709 ( -1.945 2.987 0.715) 3.635 13.761 ( -0.247 -5.845 2.012) 6.187 13.915 ( -5.112 -4.097 0.018) 6.552 14.095 ( 0.202 1.115 -0.655) 1.309 14.592 ( 6.316 -5.011 -7.639) 11.106 15.003 ( -4.498 -2.077 6.607) 8.258 15.358 ( -7.504 -9.741 1.886) 12.440 15.864 ( 2.788 -2.816 -3.596) 5.351 16.138 ( -8.036 -5.966 0.580) 10.025 17.367 ( -3.201 -1.924 5.830) 6.924 17.622 ( -4.490 -6.406 -4.231) 8.893 18.571 ( -2.003 6.495 -0.517) 6.816 19.552 ( 2.774 -1.782 -4.724) 5.761 19.666 ( 1.530 -5.167 1.159) 5.512 19.891 ( 2.542 0.514 0.417) 2.627 21.041 ( 6.301 -6.759 6.151) 11.100 21.214 ( 2.482 -3.194 -4.928) 6.376 21.491 ( -4.855 -2.768 -0.779) 5.643 21.708 ( -5.651 -5.279 0.599) 7.756 22.251 ( -1.408 2.364 2.645) 3.817 22.764 ( 0.313 -5.596 -1.721) 5.863 ======================= Grid point 27 (18/132) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 2.451 0.000) 2.451 2.240 ( -0.000 11.003 0.000) 11.003 2.463 ( -0.000 -8.661 -0.000) 8.661 2.467 ( 0.000 -4.899 0.000) 4.899 2.624 ( 0.000 1.788 0.000) 1.788 3.094 ( 0.000 3.680 0.000) 3.680 3.265 ( 0.000 1.321 0.000) 1.321 3.356 ( 0.000 -5.376 0.000) 5.376 3.519 ( -0.000 -2.073 0.000) 2.073 3.795 ( 0.000 1.411 -0.000) 1.411 3.931 ( 0.000 -2.741 0.000) 2.741 4.262 ( 0.000 2.729 -0.000) 2.729 4.392 ( 0.000 -6.782 0.000) 6.782 4.489 ( 0.000 3.878 0.000) 3.878 4.652 ( 0.000 0.575 0.000) 0.575 4.745 ( 0.000 19.942 -0.000) 19.942 4.866 ( -0.000 -0.480 -0.000) 0.480 4.927 ( 0.000 8.933 0.000) 8.933 5.367 ( 0.000 1.652 0.000) 1.652 5.832 ( 0.000 -4.453 0.000) 4.453 5.957 ( 0.000 -1.525 -0.000) 1.525 5.982 ( 0.000 5.486 0.000) 5.486 6.350 ( 0.000 -1.073 0.000) 1.073 6.403 ( 0.000 -4.605 0.000) 4.605 6.713 ( 0.000 -4.198 0.000) 4.198 6.737 ( 0.000 1.033 0.000) 1.033 6.848 ( 0.000 3.585 -0.000) 3.585 7.025 ( 0.000 0.749 0.000) 0.749 7.117 ( 0.000 -4.562 0.000) 4.562 7.214 ( -0.000 -1.023 -0.000) 1.023 7.472 ( 0.000 -5.575 0.000) 5.575 7.667 ( 0.000 -3.629 0.000) 3.629 7.755 ( 0.000 3.888 0.000) 3.888 7.842 ( 0.000 -5.305 0.000) 5.305 8.223 ( 0.000 5.001 0.000) 5.001 8.278 ( 0.000 6.004 0.000) 6.004 8.635 ( 0.000 -5.200 0.000) 5.200 8.819 ( 0.000 6.633 0.000) 6.633 8.900 ( 0.000 -0.957 0.000) 0.957 9.271 ( 0.000 1.866 0.000) 1.866 9.610 ( 0.000 -6.379 0.000) 6.379 9.648 ( 0.000 4.136 0.000) 4.136 10.181 ( 0.000 5.845 0.000) 5.845 10.338 ( 0.000 11.991 0.000) 11.991 11.094 ( 0.000 3.232 0.000) 3.232 11.174 ( 0.000 1.416 -0.000) 1.416 11.194 ( -0.000 -5.057 -0.000) 5.057 11.361 ( 0.000 -5.506 0.000) 5.506 11.605 ( 0.000 -0.299 0.000) 0.299 12.189 ( -0.000 2.091 0.000) 2.091 12.244 ( 0.000 -8.946 0.000) 8.946 12.690 ( 0.000 3.156 0.000) 3.156 13.794 ( 0.000 -6.319 0.000) 6.319 13.831 ( 0.000 -5.933 0.000) 5.933 14.095 ( 0.000 -0.274 0.000) 0.274 14.644 ( 0.000 -7.001 0.000) 7.001 14.970 ( 0.000 -2.432 0.000) 2.432 15.286 ( 0.000 -10.291 0.000) 10.291 15.918 ( 0.000 -4.127 0.000) 4.127 16.024 ( 0.000 -4.269 0.000) 4.269 17.353 ( 0.000 -1.541 0.000) 1.541 17.563 ( 0.000 -5.499 -0.000) 5.499 18.550 ( 0.000 7.438 0.000) 7.438 19.566 ( 0.000 -1.743 0.000) 1.743 19.683 ( 0.000 -4.754 -0.000) 4.754 19.917 ( 0.000 0.120 0.000) 0.120 21.137 ( 0.000 -7.142 0.000) 7.142 21.231 ( 0.000 -2.131 0.000) 2.131 21.414 ( -0.000 -4.434 0.000) 4.434 21.656 ( 0.000 -3.921 0.000) 3.921 22.244 ( 0.000 1.896 0.000) 1.896 22.762 ( 0.000 -6.101 0.000) 6.101 ======================= Grid point 33 (19/132) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 19.029 0.000) 19.029 1.739 ( 0.000 26.830 0.000) 26.830 1.878 ( 0.000 5.411 0.000) 5.411 2.354 ( 0.000 2.992 0.000) 2.992 2.367 ( 0.000 8.002 0.000) 8.002 2.732 ( 0.000 22.404 0.000) 22.404 3.209 ( 0.000 11.255 0.000) 11.255 3.342 ( 0.000 -9.776 0.000) 9.776 3.551 ( 0.000 -7.483 0.000) 7.483 3.754 ( 0.000 -6.375 0.000) 6.375 3.909 ( 0.000 -9.283 0.000) 9.283 3.965 ( 0.000 -7.409 0.000) 7.409 4.350 ( 0.000 16.829 0.000) 16.829 4.505 ( 0.000 2.986 0.000) 2.986 4.837 ( 0.000 -10.021 0.000) 10.021 4.975 ( 0.000 3.250 0.000) 3.250 5.013 ( 0.000 -1.057 0.000) 1.057 5.294 ( 0.000 0.918 0.000) 0.918 5.306 ( 0.000 -0.912 0.000) 0.912 5.445 ( 0.000 -2.872 0.000) 2.872 5.576 ( 0.000 4.693 0.000) 4.693 5.817 ( 0.000 -2.897 0.000) 2.897 6.062 ( 0.000 5.146 0.000) 5.146 6.431 ( 0.000 -0.399 0.000) 0.399 6.610 ( 0.000 -2.945 0.000) 2.945 6.734 ( 0.000 -12.919 0.000) 12.919 6.873 ( 0.000 7.055 0.000) 7.055 7.150 ( 0.000 -0.803 0.000) 0.803 7.321 ( 0.000 -8.577 0.000) 8.577 7.510 ( 0.000 -3.395 0.000) 3.395 7.530 ( 0.000 5.464 0.000) 5.464 7.549 ( 0.000 1.088 0.000) 1.088 7.766 ( 0.000 2.218 0.000) 2.218 7.979 ( 0.000 -4.028 0.000) 4.028 8.263 ( 0.000 5.625 0.000) 5.625 8.343 ( 0.000 -2.061 0.000) 2.061 8.686 ( 0.000 -4.137 0.000) 4.137 8.688 ( 0.000 2.647 0.000) 2.647 9.030 ( 0.000 9.745 0.000) 9.745 9.048 ( 0.000 -1.882 0.000) 1.882 9.328 ( 0.000 -0.862 0.000) 0.862 9.570 ( 0.000 -9.642 0.000) 9.642 9.931 ( 0.000 9.858 0.000) 9.858 9.978 ( 0.000 4.221 0.000) 4.221 10.936 ( 0.000 7.472 0.000) 7.472 11.182 ( 0.000 2.239 0.000) 2.239 11.319 ( 0.000 2.981 0.000) 2.981 11.588 ( 0.000 2.137 0.000) 2.137 11.771 ( 0.000 2.555 0.000) 2.555 11.919 ( 0.000 -2.717 0.000) 2.717 12.839 ( 0.000 4.770 0.000) 4.770 12.915 ( 0.000 5.873 0.000) 5.873 13.999 ( 0.000 2.631 0.000) 2.631 14.145 ( 0.000 5.235 0.000) 5.235 14.450 ( 0.000 3.796 0.000) 3.796 14.834 ( 0.000 -6.972 0.000) 6.972 15.507 ( 0.000 6.006 0.000) 6.006 15.866 ( 0.000 8.676 0.000) 8.676 16.037 ( 0.000 0.117 0.000) 0.117 16.965 ( 0.000 6.340 0.000) 6.340 17.250 ( 0.000 -16.933 0.000) 16.933 17.650 ( 0.000 -10.735 0.000) 10.735 18.746 ( 0.000 1.580 0.000) 1.580 19.098 ( 0.000 -4.525 0.000) 4.525 19.373 ( 0.000 -0.442 0.000) 0.442 19.529 ( 0.000 -4.027 0.000) 4.027 19.908 ( 0.000 8.432 0.000) 8.432 20.915 ( 0.000 -15.869 0.000) 15.869 22.007 ( 0.000 -1.069 0.000) 1.069 22.026 ( 0.000 -0.445 0.000) 0.445 22.510 ( 0.000 4.635 0.000) 4.635 22.634 ( 0.000 -0.946 0.000) 0.946 ======================= Grid point 34 (20/132) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 9.789 18.079 -3.522) 20.859 1.657 ( -0.307 16.268 -11.078) 19.684 2.036 ( 7.714 12.360 15.015) 20.922 2.354 ( 2.671 6.330 -10.029) 12.157 2.413 ( 1.625 2.511 15.387) 15.675 2.809 ( 6.540 19.645 -1.261) 20.744 3.127 ( -6.500 2.472 -1.436) 7.100 3.391 ( 2.711 -6.049 -0.354) 6.638 3.551 ( 2.059 -5.987 -5.206) 8.196 3.697 ( -3.838 -5.751 -0.644) 6.944 3.910 ( 1.000 -4.769 -2.355) 5.412 4.020 ( 4.216 -7.945 -0.105) 8.995 4.330 ( -1.899 18.060 0.733) 18.174 4.514 ( 0.018 0.869 5.450) 5.519 4.794 ( -4.125 -0.653 -0.173) 4.180 5.002 ( -0.196 -7.938 -0.957) 7.998 5.029 ( 2.996 2.327 -1.363) 4.031 5.281 ( 0.011 5.387 -2.489) 5.934 5.315 ( 1.697 0.815 0.527) 1.955 5.428 ( 2.481 -4.579 -1.784) 5.505 5.704 ( 7.584 2.403 3.032) 8.514 5.836 ( 1.473 -0.439 -3.376) 3.710 6.039 ( -1.801 3.368 4.635) 6.006 6.389 ( -2.965 -2.960 -5.316) 6.769 6.596 ( -1.034 -3.773 2.395) 4.587 6.749 ( -0.022 -12.142 4.171) 12.838 6.891 ( 2.215 9.413 -3.728) 10.364 7.082 ( -3.401 -3.799 -6.207) 8.033 7.326 ( -2.081 -0.757 -4.203) 4.751 7.445 ( 0.364 -4.773 7.297) 8.727 7.509 ( -2.372 -0.350 2.061) 3.162 7.709 ( 2.110 -0.206 2.480) 3.263 7.746 ( 3.128 5.796 1.187) 6.692 7.931 ( -3.828 0.102 -1.130) 3.992 8.250 ( 0.888 1.149 -2.601) 2.979 8.368 ( 0.906 -0.486 0.142) 1.037 8.688 ( 0.027 -2.415 -0.111) 2.417 8.752 ( 4.888 -0.186 3.205) 5.848 9.012 ( -1.986 -0.695 -3.630) 4.196 9.052 ( 1.613 6.034 -0.570) 6.272 9.261 ( -5.022 -1.275 3.054) 6.015 9.586 ( 0.854 -4.782 -0.311) 4.868 9.948 ( 2.552 8.772 0.591) 9.154 10.109 ( 10.450 0.328 -0.507) 10.467 10.964 ( 2.713 6.212 -0.488) 6.796 11.187 ( 0.246 3.574 -1.593) 3.920 11.316 ( -0.603 0.690 3.791) 3.901 11.569 ( -1.967 3.152 0.380) 3.735 11.795 ( 2.198 0.870 -0.579) 2.434 11.870 ( -4.608 0.198 0.097) 4.613 12.802 ( -4.148 4.847 1.202) 6.491 12.896 ( -1.447 4.740 -1.254) 5.112 13.946 ( -4.876 2.056 -0.814) 5.354 14.158 ( 0.634 4.798 1.330) 5.019 14.397 ( -5.040 3.052 0.596) 5.922 14.712 ( -11.175 -4.947 -1.482) 12.310 15.353 ( -8.598 9.669 -2.524) 13.183 15.890 ( -4.463 5.940 4.751) 8.819 16.031 ( 0.560 -3.700 -4.653) 5.971 16.619 ( -22.119 -1.674 5.042) 22.748 17.452 ( 4.169 -12.552 -0.964) 13.261 17.613 ( 1.957 -8.603 -2.990) 9.316 18.905 ( 11.162 -1.572 -5.944) 12.743 18.992 ( -3.038 0.347 -0.309) 3.073 19.383 ( 2.057 -0.723 -1.661) 2.741 19.634 ( 5.894 -4.300 -0.424) 7.308 20.067 ( 11.403 3.841 14.893) 19.146 20.971 ( 6.918 -14.967 -6.886) 17.869 21.804 ( -11.460 2.462 -1.397) 11.805 22.086 ( -2.087 -3.935 0.764) 4.519 22.468 ( -3.150 5.159 1.146) 6.153 22.665 ( 2.077 -1.541 -0.601) 2.655 ======================= Grid point 35 (21/132) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 9.404 15.675 -1.954) 18.384 1.679 ( 7.973 10.622 -6.100) 14.615 2.297 ( 8.174 7.353 9.277) 14.385 2.395 ( 8.672 7.403 -3.164) 11.833 2.579 ( 6.438 -0.223 9.695) 11.641 2.887 ( -0.203 9.103 -4.474) 10.145 2.989 ( -4.076 -1.748 3.225) 5.484 3.407 ( 0.036 -11.826 -2.994) 12.199 3.550 ( -0.480 -2.596 -7.068) 7.545 3.667 ( 2.158 1.186 -0.854) 2.606 3.919 ( 0.352 -3.136 -0.409) 3.182 4.123 ( 7.289 -3.658 -2.484) 8.526 4.298 ( -1.928 14.825 1.879) 15.067 4.565 ( 1.265 1.689 6.889) 7.205 4.724 ( -1.809 7.438 0.408) 7.666 4.935 ( -5.070 1.105 2.663) 5.833 5.044 ( -1.670 -5.628 -2.429) 6.353 5.307 ( 2.771 6.669 -1.056) 7.298 5.413 ( 7.526 1.341 -1.153) 7.731 5.515 ( 5.982 -4.911 -2.763) 8.218 5.802 ( 0.641 3.361 -10.550) 11.091 5.834 ( 4.597 2.814 -1.164) 5.514 6.089 ( 1.023 -1.771 9.122) 9.348 6.293 ( -2.600 -5.155 0.790) 5.827 6.625 ( 2.338 -5.515 3.020) 6.709 6.758 ( -2.060 -10.238 5.379) 11.747 6.894 ( 1.359 9.721 -9.778) 13.855 6.982 ( -4.101 -4.013 -1.242) 5.871 7.245 ( -4.278 -3.780 -2.423) 6.202 7.451 ( -4.143 -1.782 2.179) 5.009 7.504 ( 0.415 -1.482 4.526) 4.780 7.661 ( -1.829 2.663 -1.983) 3.791 7.846 ( -2.725 2.811 -2.773) 4.797 7.893 ( 4.316 6.312 7.492) 10.705 8.303 ( 4.102 0.236 -0.595) 4.152 8.340 ( -2.362 -4.517 -2.913) 5.871 8.670 ( -1.516 1.485 -2.758) 3.480 8.837 ( -0.916 -2.192 5.212) 5.728 9.012 ( 5.747 -0.308 -2.952) 6.468 9.061 ( 1.426 -1.013 -4.019) 4.383 9.230 ( 0.071 2.413 3.908) 4.594 9.598 ( 0.289 -1.404 1.347) 1.967 10.030 ( 5.324 8.345 0.031) 9.899 10.312 ( 8.967 -3.310 0.074) 9.558 11.022 ( 3.254 3.069 -2.368) 5.061 11.153 ( -2.520 4.324 -1.794) 5.317 11.351 ( 0.309 -3.226 7.369) 8.050 11.523 ( -1.813 5.336 -1.910) 5.950 11.747 ( -5.661 1.305 -2.038) 6.156 11.846 ( 1.618 1.534 1.803) 2.868 12.686 ( -8.376 4.769 2.263) 9.900 12.851 ( -2.196 2.841 -1.576) 3.922 13.820 ( -7.198 -0.449 1.554) 7.378 14.158 ( -2.700 2.731 0.378) 3.859 14.271 ( -7.326 3.750 -0.240) 8.233 14.482 ( -6.708 -4.723 -4.526) 9.369 15.210 ( -6.377 7.587 1.395) 10.008 15.712 ( -14.709 -0.404 4.053) 15.263 15.957 ( -6.093 -3.284 -2.415) 7.331 16.296 ( -10.655 -7.376 -1.210) 13.015 17.413 ( -5.843 -5.215 10.117) 12.795 17.649 ( 1.680 -10.970 -9.990) 14.932 18.833 ( -4.646 4.606 -1.613) 6.738 19.222 ( 13.465 -5.274 -2.178) 14.624 19.438 ( 4.162 -1.124 -2.022) 4.761 19.730 ( 5.078 -2.089 -1.632) 5.728 20.420 ( 13.649 -2.371 14.920) 20.360 21.076 ( 7.384 -10.968 -10.461) 16.859 21.598 ( -7.840 2.021 0.297) 8.102 21.957 ( -10.051 -5.250 0.322) 11.344 22.415 ( -3.416 5.126 2.556) 6.669 22.686 ( 0.515 -2.982 -1.439) 3.351 ======================= Grid point 36 (22/132) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 11.650 10.359 1.600) 15.671 1.864 ( 11.290 7.304 -2.337) 13.649 2.395 ( 3.919 6.444 -3.203) 8.193 2.549 ( -1.044 2.156 -4.465) 5.067 2.774 ( 9.931 -1.010 10.928) 14.800 2.856 ( 0.123 -6.984 5.771) 9.061 3.039 ( 6.144 4.202 4.722) 8.815 3.351 ( -4.148 -11.067 -3.503) 12.327 3.492 ( 0.502 -1.853 -9.992) 10.175 3.707 ( 1.283 3.189 -1.991) 3.972 3.921 ( 0.623 -2.721 -1.631) 3.233 4.259 ( 3.630 9.316 1.031) 10.051 4.283 ( 2.050 -4.811 0.557) 5.260 4.607 ( -1.256 5.485 4.534) 7.226 4.737 ( 1.606 8.834 2.717) 9.381 4.864 ( -3.021 8.011 -2.164) 8.831 4.997 ( -0.259 -1.198 2.450) 2.739 5.320 ( -1.947 8.453 -1.367) 8.781 5.532 ( 3.382 -1.040 -5.692) 6.702 5.556 ( 1.891 0.829 -3.171) 3.784 5.830 ( 5.948 -0.697 -7.024) 9.230 5.926 ( 8.416 2.399 -3.178) 9.310 6.111 ( -0.739 -4.754 4.452) 6.555 6.355 ( 2.573 -1.509 12.105) 12.467 6.695 ( 1.139 -2.476 -0.610) 2.792 6.719 ( -2.753 -9.722 5.458) 11.485 6.835 ( -1.725 -0.920 -5.647) 5.976 6.946 ( 1.358 2.196 -1.317) 2.898 7.111 ( -7.765 -6.820 -0.322) 10.340 7.366 ( -4.723 -3.063 -2.130) 6.019 7.515 ( -0.471 1.745 0.395) 1.850 7.631 ( -0.542 0.818 0.029) 0.982 7.769 ( -4.387 0.491 -2.552) 5.099 8.016 ( 2.684 5.285 9.890) 11.530 8.184 ( -7.598 -0.598 -0.506) 7.638 8.447 ( 7.823 -1.768 -3.705) 8.835 8.595 ( -2.853 4.266 -5.934) 7.845 8.838 ( -0.422 -0.283 2.742) 2.789 9.025 ( -0.206 2.719 -2.996) 4.051 9.192 ( 7.235 -5.125 1.347) 8.968 9.285 ( 4.387 1.401 0.979) 4.708 9.619 ( 0.709 -0.486 2.892) 3.017 10.153 ( 6.952 8.120 -0.670) 10.711 10.448 ( 4.417 -2.022 1.140) 4.990 11.047 ( 1.430 -0.497 -5.702) 5.900 11.091 ( -2.767 1.354 0.144) 3.084 11.355 ( -4.464 -5.073 7.470) 10.073 11.476 ( -2.588 9.471 -2.856) 10.226 11.664 ( 0.137 1.742 -4.946) 5.245 11.892 ( 1.588 -2.452 4.921) 5.723 12.511 ( -9.945 4.342 2.604) 11.160 12.798 ( -2.182 1.870 -1.278) 3.145 13.702 ( -5.645 -3.588 3.240) 7.432 14.000 ( -10.411 -2.483 -0.436) 10.712 14.175 ( -2.703 3.179 -2.094) 4.669 14.428 ( 2.208 -5.934 -5.205) 8.196 15.086 ( -7.781 2.786 4.449) 9.386 15.412 ( -15.890 -5.880 3.496) 17.300 15.834 ( -3.328 -2.490 -2.654) 4.932 16.138 ( -6.014 -7.952 -1.766) 10.126 17.365 ( -3.630 -2.085 6.621) 7.833 17.583 ( -3.096 -8.420 -5.429) 10.486 18.758 ( -2.862 7.314 1.025) 7.921 19.414 ( 8.632 -6.800 -7.156) 13.113 19.508 ( 2.563 -1.605 1.951) 3.599 19.823 ( 4.533 -1.487 -0.433) 4.790 20.723 ( 9.884 -3.856 9.825) 14.460 21.132 ( 3.968 -4.435 -8.935) 10.735 21.510 ( -2.009 -2.218 0.259) 3.004 21.732 ( -11.965 -6.593 0.807) 13.685 22.357 ( -3.779 4.313 3.078) 6.508 22.674 ( -0.704 -4.541 -1.889) 4.968 ======================= Grid point 37 (23/132) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 8.034 3.418 3.098) 9.264 2.114 ( 15.749 6.654 -1.856) 17.198 2.386 ( -1.838 -1.200 -8.169) 8.459 2.519 ( -1.109 0.949 6.453) 6.616 2.748 ( -6.983 -2.134 0.039) 7.302 3.063 ( 6.105 1.948 8.764) 10.857 3.215 ( 3.518 -1.788 5.525) 6.789 3.246 ( -0.897 -8.913 -4.876) 10.199 3.490 ( 3.943 1.229 -6.075) 7.346 3.724 ( 3.537 0.110 -0.896) 3.651 3.914 ( -0.702 -0.988 -2.756) 3.010 4.259 ( -1.128 -5.107 1.201) 5.367 4.364 ( 0.450 6.117 2.410) 6.590 4.565 ( -1.403 1.563 -0.941) 2.302 4.743 ( -4.397 3.768 -5.644) 8.086 4.812 ( 2.078 2.318 3.041) 4.352 5.095 ( 5.526 17.238 4.992) 18.778 5.235 ( -3.925 11.587 -3.329) 12.679 5.455 ( -2.228 2.295 -6.177) 6.956 5.675 ( 5.893 -2.008 2.110) 6.574 5.880 ( 1.732 -2.220 -2.465) 3.742 6.089 ( 2.046 3.322 -1.766) 4.282 6.152 ( 7.841 -5.399 0.232) 9.523 6.436 ( -2.250 0.284 9.687) 9.949 6.622 ( -1.594 -1.431 -0.994) 2.361 6.758 ( 0.061 -1.832 0.815) 2.006 6.817 ( 1.602 -9.531 1.623) 9.800 6.967 ( -4.119 -4.363 2.908) 6.668 7.029 ( 4.824 1.037 -0.818) 5.002 7.231 ( -5.433 -5.572 -8.741) 11.703 7.480 ( -4.025 2.828 0.354) 4.931 7.633 ( -5.657 -3.332 0.200) 6.569 7.660 ( 2.196 -3.205 0.089) 3.887 7.935 ( -9.204 -3.821 -0.263) 9.969 8.230 ( 5.487 8.926 9.483) 14.132 8.513 ( -0.925 9.163 -7.356) 11.787 8.551 ( 3.102 -2.398 -2.203) 4.497 8.839 ( 0.022 0.133 -0.932) 0.941 9.011 ( -0.212 5.198 -0.790) 5.262 9.277 ( 1.617 -0.116 1.881) 2.483 9.410 ( 5.833 -5.409 0.095) 7.956 9.656 ( 1.369 -0.244 2.838) 3.161 10.271 ( 4.763 7.206 -2.336) 8.949 10.514 ( 1.786 3.246 3.429) 5.049 11.027 ( 1.231 -5.757 -9.833) 11.461 11.056 ( -1.830 -2.159 3.531) 4.525 11.283 ( -5.505 -5.194 6.780) 10.161 11.393 ( -2.892 10.312 -4.137) 11.481 11.665 ( 1.125 3.229 -3.577) 4.948 11.971 ( 3.239 -8.158 5.087) 10.145 12.345 ( -7.283 4.441 1.472) 8.656 12.757 ( -1.306 1.726 -0.652) 2.260 13.643 ( -1.376 -5.520 1.846) 5.981 13.810 ( -8.373 -6.357 0.381) 10.520 14.116 ( -1.847 1.069 -2.298) 3.136 14.464 ( 3.296 -7.292 -4.212) 9.043 14.968 ( -5.694 -1.471 3.629) 6.910 15.170 ( -9.521 -8.507 3.040) 13.125 15.809 ( 1.933 -2.253 -3.073) 4.272 16.015 ( -5.840 -6.107 0.019) 8.450 17.338 ( -1.843 -0.895 3.405) 3.974 17.499 ( -2.644 -5.484 -2.552) 6.601 18.724 ( -1.240 8.605 1.004) 8.752 19.507 ( 5.797 -6.509 -9.922) 13.207 19.550 ( -0.753 -1.757 6.641) 6.911 19.891 ( 2.318 -1.393 -0.082) 2.705 20.921 ( 5.940 -4.089 5.893) 9.313 21.166 ( 3.732 -1.931 -5.698) 7.080 21.439 ( -7.305 -2.546 -0.424) 7.748 21.561 ( -3.501 -8.505 0.923) 9.243 22.308 ( -2.451 3.156 2.233) 4.578 22.647 ( -0.796 -5.832 -1.416) 6.054 ======================= Grid point 38 (24/132) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 2.601 0.000) 2.601 2.309 ( 0.000 -6.275 -0.000) 6.275 2.385 ( -0.000 -2.461 0.000) 2.461 2.459 ( 0.000 9.641 0.000) 9.641 2.653 ( 0.000 1.533 -0.000) 1.533 3.120 ( 0.000 -2.278 0.000) 2.278 3.225 ( 0.000 -6.781 -0.000) 6.781 3.268 ( 0.000 -1.218 0.000) 1.218 3.534 ( -0.000 3.984 0.000) 3.984 3.813 ( 0.000 -0.107 -0.000) 0.107 3.874 ( 0.000 -2.275 0.000) 2.275 4.242 ( 0.000 -6.169 -0.000) 6.169 4.338 ( 0.000 4.057 -0.000) 4.057 4.601 ( 0.000 5.758 0.000) 5.758 4.636 ( 0.000 -1.522 -0.000) 1.522 4.852 ( 0.000 -0.193 0.000) 0.193 5.167 ( 0.000 14.233 -0.000) 14.233 5.189 ( 0.000 21.853 0.000) 21.853 5.417 ( 0.000 3.372 0.000) 3.372 5.741 ( 0.000 -4.102 0.000) 4.102 5.910 ( 0.000 -3.066 0.000) 3.066 6.052 ( 0.000 1.325 0.000) 1.325 6.337 ( 0.000 -0.132 -0.000) 0.132 6.340 ( -0.000 -1.462 0.000) 1.462 6.642 ( 0.000 -2.991 0.000) 2.991 6.752 ( 0.000 0.229 0.000) 0.229 6.836 ( 0.000 -7.419 0.000) 7.419 6.981 ( 0.000 -6.220 0.000) 6.220 7.040 ( 0.000 -0.683 -0.000) 0.683 7.177 ( 0.000 -1.931 -0.000) 1.931 7.388 ( 0.000 -1.229 0.000) 1.229 7.572 ( 0.000 -3.168 0.000) 3.168 7.758 ( 0.000 -4.064 0.000) 4.064 7.774 ( -0.000 -3.549 -0.000) 3.549 8.341 ( 0.000 6.264 0.000) 6.264 8.465 ( 0.000 11.605 0.000) 11.605 8.574 ( 0.000 -0.842 0.000) 0.842 8.836 ( 0.000 0.369 -0.000) 0.369 9.007 ( 0.000 5.932 0.000) 5.932 9.298 ( 0.000 0.506 0.000) 0.506 9.470 ( 0.000 -6.412 0.000) 6.412 9.684 ( 0.000 -0.331 0.000) 0.331 10.305 ( 0.000 6.229 -0.000) 6.229 10.553 ( 0.000 7.661 0.000) 7.661 11.009 ( 0.000 -6.348 -0.000) 6.348 11.046 ( -0.000 -8.450 0.000) 8.450 11.246 ( 0.000 -3.691 0.000) 3.691 11.346 ( 0.000 10.146 0.000) 10.146 11.664 ( 0.000 4.022 -0.000) 4.022 12.032 ( 0.000 -12.208 0.000) 12.208 12.267 ( 0.000 6.207 0.000) 6.207 12.742 ( 0.000 1.813 0.000) 1.813 13.665 ( 0.000 -6.308 0.000) 6.308 13.694 ( -0.000 -7.378 0.000) 7.378 14.089 ( 0.000 0.082 0.000) 0.082 14.490 ( 0.000 -8.177 0.000) 8.177 14.918 ( 0.000 -2.574 -0.000) 2.574 15.082 ( 0.000 -9.429 0.000) 9.429 15.841 ( 0.000 -3.211 0.000) 3.211 15.937 ( 0.000 -4.213 0.000) 4.213 17.329 ( 0.000 -0.667 0.000) 0.667 17.464 ( 0.000 -4.222 0.000) 4.222 18.715 ( 0.000 8.966 0.000) 8.966 19.543 ( -0.000 -8.834 0.000) 8.834 19.554 ( 0.000 0.879 -0.000) 0.879 19.913 ( 0.000 -1.338 0.000) 1.338 21.006 ( 0.000 -4.793 0.000) 4.793 21.208 ( 0.000 -0.129 -0.000) 0.129 21.320 ( -0.000 -5.035 0.000) 5.035 21.542 ( 0.000 -7.096 0.000) 7.096 22.289 ( 0.000 2.577 0.000) 2.577 22.634 ( 0.000 -6.356 0.000) 6.356 ======================= Grid point 44 (25/132) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 13.259 0.000) 13.259 1.921 ( 0.000 -0.802 0.000) 0.802 2.255 ( 0.000 24.484 0.000) 24.484 2.433 ( 0.000 5.559 0.000) 5.559 2.525 ( 0.000 6.685 0.000) 6.685 3.023 ( 0.000 -3.915 0.000) 3.915 3.160 ( 0.000 0.367 0.000) 0.367 3.308 ( 0.000 -5.799 0.000) 5.799 3.429 ( 0.000 1.170 0.000) 1.170 3.587 ( 0.000 -8.811 0.000) 8.811 3.786 ( 0.000 -2.867 0.000) 2.867 3.832 ( 0.000 -4.914 0.000) 4.914 4.532 ( 0.000 -0.280 0.000) 0.280 4.603 ( 0.000 -3.312 0.000) 3.312 4.804 ( 0.000 14.973 0.000) 14.973 5.038 ( 0.000 2.707 0.000) 2.707 5.125 ( 0.000 12.815 0.000) 12.815 5.253 ( 0.000 -3.872 0.000) 3.872 5.286 ( 0.000 -0.904 0.000) 0.904 5.522 ( 0.000 7.735 0.000) 7.735 5.658 ( 0.000 3.924 0.000) 3.924 5.762 ( 0.000 -1.722 0.000) 1.722 6.117 ( 0.000 -1.246 0.000) 1.246 6.316 ( 0.000 -20.904 0.000) 20.904 6.463 ( 0.000 -1.996 0.000) 1.996 6.512 ( 0.000 -5.732 0.000) 5.732 7.048 ( 0.000 9.564 0.000) 9.564 7.139 ( 0.000 -0.649 0.000) 0.649 7.186 ( 0.000 -3.589 0.000) 3.589 7.414 ( 0.000 -5.421 0.000) 5.421 7.579 ( 0.000 1.363 0.000) 1.363 7.605 ( 0.000 0.549 0.000) 0.549 7.838 ( 0.000 4.142 0.000) 4.142 7.921 ( 0.000 -1.813 0.000) 1.813 8.323 ( 0.000 0.504 0.000) 0.504 8.355 ( 0.000 2.871 0.000) 2.871 8.631 ( 0.000 -1.205 0.000) 1.205 8.676 ( 0.000 -2.565 0.000) 2.565 9.026 ( 0.000 0.024 0.000) 0.024 9.150 ( 0.000 0.365 0.000) 0.365 9.357 ( 0.000 2.788 0.000) 2.788 9.414 ( 0.000 -4.068 0.000) 4.068 10.051 ( 0.000 3.000 0.000) 3.000 10.068 ( 0.000 3.751 0.000) 3.751 11.080 ( 0.000 6.550 0.000) 6.550 11.212 ( 0.000 0.278 0.000) 0.278 11.411 ( 0.000 5.744 0.000) 5.744 11.600 ( 0.000 -1.337 0.000) 1.337 11.813 ( 0.000 1.546 0.000) 1.546 11.866 ( 0.000 -2.283 0.000) 2.283 12.925 ( 0.000 3.702 0.000) 3.702 12.988 ( 0.000 1.453 0.000) 1.453 14.073 ( 0.000 4.394 0.000) 4.394 14.195 ( 0.000 -0.067 0.000) 0.067 14.526 ( 0.000 3.805 0.000) 3.805 14.707 ( 0.000 -5.669 0.000) 5.669 15.642 ( 0.000 7.123 0.000) 7.123 15.886 ( 0.000 -4.065 0.000) 4.065 16.212 ( 0.000 14.473 0.000) 14.473 16.888 ( 0.000 -18.262 0.000) 18.262 17.108 ( 0.000 7.896 0.000) 7.896 17.458 ( 0.000 -9.088 0.000) 9.088 18.797 ( 0.000 3.539 0.000) 3.539 18.995 ( 0.000 -5.555 0.000) 5.555 19.375 ( 0.000 0.673 0.000) 0.673 19.454 ( 0.000 -3.255 0.000) 3.255 20.094 ( 0.000 10.228 0.000) 10.228 20.602 ( 0.000 -15.051 0.000) 15.051 21.994 ( 0.000 -0.232 0.000) 0.232 22.012 ( 0.000 -0.815 0.000) 0.815 22.582 ( 0.000 2.448 0.000) 2.448 22.621 ( 0.000 -0.393 0.000) 0.393 ======================= Grid point 45 (26/132) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 7.944 12.003 -0.830) 14.418 1.872 ( -0.031 5.439 -10.125) 11.493 2.343 ( 2.874 17.199 8.925) 19.589 2.425 ( -0.270 4.655 6.770) 8.221 2.532 ( 1.514 5.821 -0.725) 6.058 2.995 ( -4.109 -7.984 5.467) 10.513 3.111 ( -5.514 1.772 -3.841) 6.950 3.209 ( -3.530 -9.379 -7.142) 12.306 3.501 ( 5.902 1.016 -2.762) 6.595 3.629 ( 2.597 -2.214 0.593) 3.464 3.834 ( 2.823 -2.477 0.068) 3.756 3.862 ( 5.300 -5.595 -1.417) 7.836 4.498 ( -2.625 0.668 1.455) 3.075 4.687 ( 4.787 -5.035 2.343) 7.332 4.786 ( -2.375 15.138 3.763) 15.778 4.976 ( -2.566 4.637 -0.719) 5.348 5.176 ( 0.959 13.297 0.852) 13.358 5.282 ( 2.752 -1.951 -2.220) 4.039 5.300 ( 5.135 -3.671 -1.618) 6.517 5.499 ( 0.412 9.353 -4.188) 10.256 5.755 ( 6.281 2.450 3.663) 7.672 5.803 ( 3.240 -1.643 0.256) 3.642 6.079 ( -3.566 -1.806 1.051) 4.133 6.333 ( 0.592 -14.008 0.893) 14.049 6.355 ( -5.052 -8.004 -5.959) 11.185 6.539 ( 0.096 -6.284 2.206) 6.661 7.034 ( -4.870 0.345 -3.483) 5.998 7.081 ( 2.819 8.826 -2.334) 9.554 7.246 ( -1.836 -5.910 0.210) 6.192 7.362 ( -0.777 -4.053 1.773) 4.492 7.553 ( -1.080 3.926 0.928) 4.176 7.693 ( 2.694 -1.768 1.119) 3.411 7.855 ( 3.080 4.399 0.529) 5.396 7.960 ( 4.320 1.298 -0.908) 4.601 8.240 ( -4.975 0.395 -1.565) 5.231 8.365 ( -2.321 -1.348 1.803) 3.234 8.652 ( 1.810 -0.096 3.996) 4.388 8.727 ( 2.777 -2.437 4.290) 5.662 9.016 ( -0.008 0.964 -3.752) 3.873 9.111 ( -2.320 -0.422 -3.744) 4.425 9.308 ( -2.265 4.742 1.956) 5.608 9.478 ( 3.680 -5.040 -0.578) 6.267 10.075 ( 2.868 4.103 -0.006) 5.006 10.131 ( 5.159 1.093 0.880) 5.347 11.090 ( 0.618 6.143 0.521) 6.196 11.233 ( 1.433 0.047 2.105) 2.547 11.375 ( -3.366 5.279 -0.219) 6.265 11.589 ( -1.218 -2.048 0.115) 2.386 11.798 ( -0.762 1.154 -2.333) 2.713 11.877 ( 0.692 -0.503 0.776) 1.156 12.890 ( -3.872 3.856 1.064) 5.567 12.960 ( -2.534 1.344 -0.595) 2.930 14.020 ( -5.081 5.116 -1.591) 7.384 14.195 ( -0.418 -1.022 0.538) 1.228 14.452 ( -6.516 2.699 0.371) 7.063 14.604 ( -10.075 -5.266 0.410) 11.376 15.551 ( -7.125 9.855 0.041) 12.161 15.883 ( -1.562 -5.997 -2.401) 6.646 16.102 ( -10.573 9.855 0.587) 14.465 16.526 ( -24.193 -7.932 4.054) 25.781 17.296 ( 7.059 -2.678 -1.137) 7.635 17.451 ( 0.553 -7.501 -0.312) 7.528 18.901 ( 8.457 1.148 -3.585) 9.257 18.982 ( 1.009 -1.427 -1.200) 2.120 19.388 ( 1.854 1.386 0.118) 2.318 19.531 ( 5.352 -5.260 1.805) 7.718 20.196 ( 8.530 8.579 5.328) 13.220 20.672 ( 7.807 -14.525 -4.485) 17.089 21.860 ( -9.096 3.121 -0.915) 9.660 22.004 ( -4.355 -4.032 0.468) 5.953 22.553 ( -2.198 3.337 0.652) 4.049 22.636 ( 0.550 -1.388 0.018) 1.493 ======================= Grid point 46 (27/132) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 6.062 9.244 -7.757) 13.504 1.893 ( 8.199 11.843 -0.423) 14.410 2.391 ( -0.231 1.758 10.786) 10.931 2.544 ( 7.308 7.458 1.689) 10.577 2.616 ( 5.293 2.186 6.167) 8.415 2.843 ( -12.108 -2.257 -4.666) 13.171 3.001 ( -1.587 -6.592 2.506) 7.228 3.152 ( -0.066 -10.371 -5.409) 11.696 3.540 ( 1.470 2.294 -8.533) 8.958 3.713 ( 5.015 -0.031 -2.184) 5.470 3.859 ( 1.218 -0.223 0.432) 1.311 4.033 ( 9.512 -4.332 1.261) 10.528 4.426 ( -4.519 2.864 -0.505) 5.374 4.707 ( -3.185 -6.381 2.298) 7.493 4.829 ( 1.397 11.158 9.534) 14.742 4.956 ( -0.803 2.693 2.305) 3.635 5.176 ( 1.385 18.620 -0.774) 18.687 5.384 ( 7.150 1.436 -2.508) 7.712 5.438 ( 9.944 -2.630 -4.113) 11.078 5.513 ( 2.733 7.711 -3.514) 8.904 5.836 ( 2.108 1.291 -5.325) 5.871 5.890 ( 3.913 0.898 -0.718) 4.078 6.020 ( -2.626 -5.365 2.439) 6.452 6.232 ( -1.799 -1.150 0.532) 2.201 6.391 ( 1.961 -16.260 4.690) 17.036 6.553 ( 0.922 -9.113 1.820) 9.339 6.917 ( -5.675 1.082 -2.061) 6.134 7.096 ( 0.369 7.943 -5.241) 9.523 7.134 ( -6.577 -6.722 -2.115) 9.639 7.360 ( -2.848 -5.834 1.666) 6.702 7.557 ( 0.696 5.184 1.413) 5.418 7.694 ( -1.072 0.197 -2.088) 2.355 7.925 ( 0.495 4.925 -1.134) 5.078 8.045 ( 0.676 7.882 6.324) 10.128 8.196 ( 4.045 -7.403 -3.624) 9.181 8.284 ( -4.738 -3.659 2.819) 6.617 8.724 ( 1.876 2.819 2.740) 4.356 8.794 ( 0.938 -1.796 5.116) 5.503 9.005 ( 2.758 0.610 -4.243) 5.097 9.062 ( 0.342 -0.355 -4.882) 4.907 9.307 ( 0.957 5.043 1.291) 5.293 9.534 ( 1.982 -4.831 0.965) 5.311 10.158 ( 5.359 4.445 -0.420) 6.975 10.258 ( 6.536 -1.946 1.476) 6.977 11.091 ( -1.049 4.337 -0.755) 4.526 11.277 ( 0.348 -2.321 4.282) 4.883 11.286 ( -4.982 5.912 0.292) 7.736 11.560 ( -1.012 -3.253 -0.297) 3.420 11.758 ( -2.129 3.370 -2.382) 4.644 11.891 ( 0.317 0.392 -0.038) 0.505 12.782 ( -7.700 4.758 1.912) 9.251 12.892 ( -3.620 0.623 -1.050) 3.821 13.859 ( -10.221 4.707 1.116) 11.308 14.144 ( -7.367 -4.491 0.768) 8.662 14.321 ( -5.783 1.399 -1.516) 6.140 14.381 ( -7.787 -3.941 -3.008) 9.232 15.390 ( -10.441 9.694 2.584) 14.480 15.687 ( -18.721 -3.129 3.246) 19.256 15.914 ( -5.963 0.365 -3.455) 6.901 16.141 ( -13.394 -8.122 -0.037) 15.665 17.346 ( -0.940 -1.210 4.757) 4.998 17.469 ( 1.081 -7.039 -4.052) 8.194 18.931 ( -0.301 5.009 -1.905) 5.367 19.123 ( 8.850 -4.686 -0.965) 10.061 19.449 ( 4.094 2.340 -0.624) 4.757 19.646 ( 5.365 -5.729 0.483) 7.864 20.450 ( 12.584 5.074 6.156) 14.900 20.836 ( 10.832 -12.364 -6.303) 17.604 21.663 ( -9.769 4.081 -0.236) 10.590 21.852 ( -10.523 -5.155 0.439) 11.726 22.505 ( -3.303 3.843 1.343) 5.243 22.628 ( -1.261 -2.794 -0.418) 3.094 ======================= Grid point 47 (28/132) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 7.745 10.415 -2.417) 13.203 2.039 ( 8.882 9.957 -0.360) 13.347 2.461 ( 0.276 -3.342 7.891) 8.573 2.557 ( -9.960 -1.927 -2.125) 10.365 2.714 ( 3.116 -1.845 -1.440) 3.897 2.790 ( 10.618 1.949 7.429) 13.104 3.036 ( 3.753 -4.193 3.224) 6.485 3.129 ( -0.467 -10.091 -3.018) 10.543 3.522 ( 2.866 4.732 -10.070) 11.490 3.752 ( 1.467 -1.699 -5.973) 6.381 3.895 ( 1.072 2.995 1.992) 3.753 4.167 ( 0.681 -6.600 2.363) 7.043 4.392 ( 3.425 5.909 0.080) 6.830 4.644 ( -4.094 -3.508 1.197) 5.523 4.857 ( -1.913 4.605 3.951) 6.362 4.910 ( -5.555 -0.038 2.278) 6.004 5.281 ( 8.314 20.979 1.414) 22.611 5.502 ( 2.781 8.707 0.980) 9.193 5.519 ( 2.102 0.001 -6.297) 6.639 5.596 ( 6.057 3.488 -6.194) 9.339 5.849 ( 3.768 2.252 -5.617) 7.129 5.927 ( 2.618 -2.679 -2.780) 4.664 6.029 ( 3.892 -2.580 0.482) 4.694 6.310 ( 4.575 -5.143 9.444) 11.686 6.455 ( 1.481 -11.805 5.884) 13.273 6.606 ( 2.546 -8.340 4.711) 9.911 6.784 ( -6.353 0.971 -2.160) 6.780 6.975 ( -7.711 -6.492 -1.969) 10.271 7.065 ( -0.053 6.056 -5.705) 8.320 7.279 ( -4.700 -5.120 -1.421) 7.094 7.574 ( -0.076 3.579 1.229) 3.784 7.639 ( -2.931 -0.029 -2.371) 3.770 7.807 ( -9.023 3.302 -2.549) 9.940 8.020 ( -9.124 -4.558 3.344) 10.733 8.229 ( 5.221 4.766 5.294) 8.832 8.391 ( 8.172 -3.192 0.807) 8.810 8.722 ( -0.459 6.422 -2.905) 7.063 8.835 ( 1.844 0.038 -1.058) 2.126 9.066 ( 1.592 0.862 -2.039) 2.726 9.101 ( 6.420 -3.253 0.932) 7.258 9.345 ( 2.242 4.516 0.204) 5.046 9.574 ( 1.325 -4.164 2.210) 4.897 10.274 ( 6.518 4.095 -1.490) 7.840 10.391 ( 5.703 -3.008 2.340) 6.859 11.027 ( -4.031 1.450 -3.259) 5.383 11.174 ( -6.512 0.184 2.096) 6.843 11.285 ( -2.155 1.842 3.686) 4.650 11.574 ( 2.522 -5.028 0.448) 5.643 11.682 ( -4.105 6.479 -2.760) 8.151 11.881 ( -1.578 -0.783 0.268) 1.782 12.623 ( -8.676 6.719 1.977) 11.150 12.816 ( -3.135 -0.692 -1.137) 3.405 13.671 ( -8.979 1.104 3.211) 9.600 13.904 ( -14.164 -6.900 1.523) 15.829 14.219 ( -2.978 1.440 -4.795) 5.826 14.315 ( 1.063 -4.597 -5.441) 7.202 15.157 ( -14.027 3.952 5.029) 15.416 15.312 ( -19.024 -4.216 4.848) 20.080 15.808 ( -2.108 0.364 -3.340) 3.967 15.982 ( -4.341 -7.365 -1.997) 8.780 17.344 ( -1.355 0.012 3.378) 3.639 17.445 ( -1.273 -5.274 -2.268) 5.881 18.917 ( -0.778 8.324 0.915) 8.410 19.256 ( 5.323 -8.405 -1.936) 10.135 19.528 ( 3.921 3.121 -0.903) 5.093 19.747 ( 4.561 -5.674 0.083) 7.281 20.716 ( 10.735 3.128 4.054) 11.894 21.003 ( 8.784 -8.284 -5.946) 13.459 21.495 ( -6.661 1.006 0.444) 6.751 21.621 ( -12.558 -4.629 1.087) 13.428 22.438 ( -4.073 3.745 1.647) 5.773 22.587 ( -2.356 -4.063 -0.846) 4.772 ======================= Grid point 48 (29/132) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 3.159 4.683 3.016) 6.403 2.253 ( 10.247 6.204 -4.605) 12.833 2.331 ( -5.511 -2.465 -2.775) 6.644 2.554 ( 0.462 1.094 8.046) 8.133 2.720 ( -0.792 -0.445 -0.990) 1.344 2.992 ( 3.659 -10.009 2.985) 11.067 3.099 ( -0.289 -0.911 2.004) 2.220 3.177 ( 7.008 -3.219 0.834) 7.757 3.572 ( 6.104 5.883 -5.724) 10.229 3.740 ( 1.366 0.173 -3.568) 3.825 3.906 ( -0.886 1.483 0.354) 1.763 4.141 ( -2.639 -6.534 2.621) 7.519 4.471 ( -0.058 4.311 0.148) 4.314 4.574 ( -0.442 -0.762 -1.464) 1.709 4.780 ( -5.732 1.651 -1.796) 6.229 4.842 ( -1.164 0.027 1.434) 1.847 5.444 ( 5.699 12.817 -2.510) 14.250 5.469 ( -1.974 6.329 2.093) 6.953 5.558 ( 2.938 12.536 -6.171) 14.278 5.659 ( 3.181 2.812 3.278) 5.364 5.864 ( -0.681 -0.418 -3.495) 3.585 6.014 ( 4.830 -6.026 -0.746) 7.759 6.165 ( 8.558 2.132 -0.202) 8.822 6.423 ( 0.180 -3.440 5.903) 6.835 6.512 ( 2.097 -9.138 2.977) 9.837 6.655 ( -3.768 -5.958 -0.229) 7.054 6.702 ( 2.910 -1.131 4.768) 5.699 6.838 ( -4.448 -6.093 0.297) 7.550 7.070 ( 3.691 2.338 -3.088) 5.350 7.163 ( -5.285 -2.363 -4.916) 7.595 7.549 ( -4.267 2.575 2.072) 5.398 7.586 ( -7.706 -1.698 -2.687) 8.336 7.607 ( -0.426 0.213 -0.699) 0.846 7.830 ( -9.510 -6.231 0.271) 11.372 8.380 ( 4.863 5.859 6.797) 10.207 8.515 ( 3.632 -1.666 0.567) 4.036 8.712 ( 1.450 9.224 -4.847) 10.521 8.856 ( 1.607 1.079 -3.211) 3.749 9.087 ( 0.874 2.485 -0.302) 2.652 9.218 ( 3.764 -4.712 1.785) 6.289 9.392 ( 2.192 3.123 -0.063) 3.816 9.612 ( 1.330 -4.242 2.033) 4.888 10.379 ( 4.641 3.797 -2.626) 6.547 10.512 ( 4.697 -2.884 3.904) 6.754 10.925 ( -2.883 -1.302 -4.769) 5.723 11.046 ( -7.445 -2.985 1.907) 8.245 11.259 ( -1.650 4.725 3.282) 5.985 11.576 ( -4.134 5.374 -2.869) 7.362 11.649 ( 4.005 -4.102 0.376) 5.746 11.829 ( -3.849 -4.804 1.239) 6.279 12.489 ( -5.159 9.229 1.149) 10.635 12.763 ( -1.547 -1.707 -0.763) 2.427 13.558 ( -3.591 -2.377 2.101) 4.792 13.673 ( -9.355 -6.759 1.467) 11.634 14.144 ( -1.814 2.049 -4.452) 5.226 14.320 ( 1.813 -6.694 -4.579) 8.311 14.947 ( -8.397 -0.441 3.251) 9.015 15.031 ( -11.296 -5.221 4.745) 13.318 15.788 ( 1.047 0.273 -2.491) 2.716 15.902 ( -3.117 -4.990 -0.780) 5.935 17.333 ( -0.929 0.478 1.700) 1.995 17.410 ( -1.142 -3.461 -0.974) 3.773 18.909 ( -0.519 9.818 1.138) 9.897 19.323 ( 2.504 -10.217 -1.342) 10.604 19.586 ( 2.214 3.911 -0.600) 4.534 19.820 ( 2.590 -5.528 -0.123) 6.106 20.904 ( 6.131 2.430 2.691) 7.123 21.114 ( 5.932 -4.059 -5.474) 9.035 21.388 ( -10.568 -2.518 1.547) 10.974 21.414 ( -2.652 -4.935 1.043) 5.699 22.374 ( -2.896 3.406 1.227) 4.636 22.538 ( -1.859 -5.034 -0.748) 5.418 ======================= Grid point 49 (30/132) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.000 0.790 -0.000) 0.790 2.214 ( 0.000 -3.194 0.000) 3.194 2.397 ( 0.000 3.899 0.000) 3.899 2.576 ( 0.000 1.011 0.000) 1.011 2.707 ( 0.000 4.223 0.000) 4.223 2.993 ( 0.000 -8.764 0.000) 8.764 3.153 ( 0.000 -0.233 0.000) 0.233 3.229 ( 0.000 -2.274 -0.000) 2.274 3.637 ( 0.000 4.882 0.000) 4.882 3.782 ( 0.000 -2.809 0.000) 2.809 3.871 ( 0.000 2.794 0.000) 2.794 4.119 ( 0.000 -6.477 -0.000) 6.477 4.429 ( 0.000 4.707 -0.000) 4.707 4.593 ( 0.000 -2.900 0.000) 2.900 4.707 ( 0.000 4.778 0.000) 4.778 4.837 ( 0.000 -1.505 0.000) 1.505 5.449 ( 0.000 11.680 0.000) 11.680 5.470 ( 0.000 4.097 -0.000) 4.097 5.623 ( -0.000 18.425 0.000) 18.425 5.687 ( 0.000 -0.413 -0.000) 0.413 5.849 ( 0.000 -2.722 0.000) 2.722 6.041 ( 0.000 -2.168 0.000) 2.168 6.333 ( 0.000 0.437 0.000) 0.437 6.348 ( -0.000 1.262 0.000) 1.262 6.570 ( 0.000 -5.586 0.000) 5.586 6.600 ( -0.000 -12.724 -0.000) 12.724 6.759 ( 0.000 -0.031 0.000) 0.031 6.822 ( 0.000 -6.703 0.000) 6.703 7.063 ( 0.000 1.724 -0.000) 1.724 7.139 ( 0.000 -2.021 0.000) 2.021 7.415 ( 0.000 3.191 0.000) 3.191 7.545 ( 0.000 -0.596 0.000) 0.596 7.667 ( 0.000 -5.327 0.000) 5.327 7.676 ( -0.000 -3.691 0.000) 3.691 8.453 ( 0.000 4.573 0.000) 4.573 8.549 ( 0.000 -0.641 0.000) 0.641 8.714 ( 0.000 10.471 0.000) 10.471 8.864 ( 0.000 1.774 -0.000) 1.774 9.094 ( 0.000 3.188 0.000) 3.188 9.259 ( 0.000 -4.556 -0.000) 4.556 9.417 ( 0.000 1.916 0.000) 1.916 9.635 ( 0.000 -4.636 0.000) 4.636 10.418 ( 0.000 4.805 0.000) 4.805 10.583 ( 0.000 -3.788 0.000) 3.788 10.902 ( 0.000 -3.416 -0.000) 3.416 10.939 ( -0.000 -2.735 0.000) 2.735 11.255 ( 0.000 5.505 0.000) 5.505 11.519 ( 0.000 6.024 0.000) 6.024 11.712 ( -0.000 0.301 -0.000) 0.301 11.771 ( 0.000 -12.700 0.000) 12.700 12.440 ( 0.000 10.480 0.000) 10.480 12.746 ( 0.000 -2.023 0.000) 2.023 13.553 ( 0.000 -4.456 0.000) 4.456 13.559 ( -0.000 -5.419 0.000) 5.419 14.112 ( 0.000 2.419 0.000) 2.419 14.327 ( 0.000 -7.738 0.000) 7.738 14.873 ( 0.000 -1.686 -0.000) 1.686 14.929 ( -0.000 -5.558 0.000) 5.558 15.800 ( 0.000 -0.749 0.000) 0.749 15.861 ( 0.000 -3.260 0.000) 3.260 17.328 ( 0.000 0.603 0.000) 0.603 17.395 ( 0.000 -2.725 0.000) 2.725 18.908 ( 0.000 10.229 0.000) 10.229 19.344 ( 0.000 -10.799 0.000) 10.799 19.607 ( 0.000 4.345 0.000) 4.345 19.845 ( 0.000 -5.361 0.000) 5.361 20.975 ( 0.000 1.914 0.000) 1.914 21.205 ( 0.000 -6.604 -0.000) 6.604 21.227 ( -0.000 2.029 0.000) 2.029 21.397 ( 0.000 -6.649 0.000) 6.649 22.347 ( 0.000 3.197 0.000) 3.197 22.515 ( 0.000 -5.411 0.000) 5.411 ======================= Grid point 55 (31/132) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 -7.180 0.000) 7.180 1.841 ( 0.000 7.180 0.000) 7.180 2.552 ( 0.000 -3.716 0.000) 3.716 2.552 ( 0.000 3.716 0.000) 3.716 2.714 ( 0.000 -19.787 0.000) 19.787 2.714 ( 0.000 19.787 0.000) 19.787 3.212 ( 0.000 -1.085 0.000) 1.085 3.212 ( 0.000 1.085 0.000) 1.085 3.476 ( 0.000 -2.351 0.000) 2.351 3.476 ( 0.000 2.351 0.000) 2.351 3.772 ( 0.000 -1.175 0.000) 1.175 3.772 ( 0.000 1.175 0.000) 1.175 4.534 ( 0.000 -1.512 0.000) 1.512 4.534 ( 0.000 1.512 0.000) 1.512 5.021 ( 0.000 -5.846 0.000) 5.846 5.021 ( 0.000 5.846 0.000) 5.846 5.228 ( 0.000 -1.599 0.000) 1.599 5.228 ( 0.000 1.599 0.000) 1.599 5.495 ( 0.000 -13.829 0.000) 13.829 5.495 ( 0.000 13.829 0.000) 13.829 5.764 ( 0.000 -5.562 0.000) 5.562 5.764 ( 0.000 5.562 0.000) 5.562 6.009 ( 0.000 -2.315 0.000) 2.315 6.009 ( 0.000 2.315 0.000) 2.315 6.455 ( 0.000 -0.241 0.000) 0.241 6.455 ( 0.000 0.241 0.000) 0.241 7.129 ( 0.000 -0.089 0.000) 0.089 7.129 ( 0.000 0.089 0.000) 0.089 7.269 ( 0.000 -8.936 0.000) 8.936 7.269 ( 0.000 8.936 0.000) 8.936 7.598 ( 0.000 -0.662 0.000) 0.662 7.598 ( 0.000 0.662 0.000) 0.662 7.893 ( 0.000 -1.475 0.000) 1.475 7.893 ( 0.000 1.475 0.000) 1.475 8.359 ( 0.000 -2.039 0.000) 2.039 8.359 ( 0.000 2.039 0.000) 2.039 8.633 ( 0.000 -1.258 0.000) 1.258 8.633 ( 0.000 1.258 0.000) 1.258 9.074 ( 0.000 -4.733 0.000) 4.733 9.074 ( 0.000 4.733 0.000) 4.733 9.394 ( 0.000 -0.437 0.000) 0.437 9.394 ( 0.000 0.437 0.000) 0.437 10.092 ( 0.000 -0.849 0.000) 0.849 10.092 ( 0.000 0.849 0.000) 0.849 11.182 ( 0.000 -3.358 0.000) 3.358 11.182 ( 0.000 3.358 0.000) 3.358 11.529 ( 0.000 -5.391 0.000) 5.391 11.529 ( 0.000 5.391 0.000) 5.391 11.835 ( 0.000 -0.961 0.000) 0.961 11.835 ( 0.000 0.961 0.000) 0.961 12.982 ( 0.000 -1.807 0.000) 1.807 12.982 ( 0.000 1.807 0.000) 1.807 14.156 ( 0.000 -3.413 0.000) 3.413 14.156 ( 0.000 3.413 0.000) 3.413 14.607 ( 0.000 -4.406 0.000) 4.406 14.607 ( 0.000 4.406 0.000) 4.406 15.779 ( 0.000 -6.328 0.000) 6.328 15.779 ( 0.000 6.328 0.000) 6.328 16.533 ( 0.000 -17.082 0.000) 17.082 16.533 ( 0.000 17.082 0.000) 17.082 17.277 ( 0.000 -8.915 0.000) 8.915 17.277 ( 0.000 8.915 0.000) 8.915 18.885 ( 0.000 -5.137 0.000) 5.137 18.885 ( 0.000 5.137 0.000) 5.137 19.402 ( 0.000 -1.989 0.000) 1.989 19.402 ( 0.000 1.989 0.000) 1.989 20.323 ( 0.000 -12.717 0.000) 12.717 20.323 ( 0.000 12.717 0.000) 12.717 21.997 ( 0.000 -0.551 0.000) 0.551 21.997 ( 0.000 0.551 0.000) 0.551 22.612 ( 0.000 -0.740 0.000) 0.740 22.612 ( 0.000 0.740 0.000) 0.740 ======================= Grid point 57 (32/132) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 4.743 -4.133 -2.345) 6.714 1.882 ( 4.743 4.133 -2.345) 6.714 2.536 ( -1.934 -5.721 0.786) 6.089 2.536 ( -1.934 5.721 0.786) 6.089 2.713 ( -0.376 -17.176 4.286) 17.706 2.713 ( -0.376 17.176 4.286) 17.706 3.108 ( -7.109 -3.123 -2.926) 8.297 3.108 ( -7.109 3.123 -2.926) 8.297 3.564 ( 6.127 -4.160 -1.690) 7.596 3.564 ( 6.127 4.160 -1.690) 7.596 3.813 ( 4.423 -0.294 -0.307) 4.443 3.813 ( 4.423 0.294 -0.307) 4.443 4.550 ( 0.385 -5.042 0.794) 5.119 4.550 ( 0.385 5.042 0.794) 5.119 5.002 ( -2.626 -4.424 3.451) 6.195 5.002 ( -2.626 4.424 3.451) 6.195 5.250 ( 4.560 -0.930 -2.996) 5.535 5.250 ( 4.560 0.930 -2.996) 5.535 5.521 ( 1.820 -12.625 1.165) 12.809 5.521 ( 1.820 12.625 1.165) 12.809 5.826 ( 4.161 -3.196 0.829) 5.312 5.826 ( 4.161 3.196 0.829) 5.312 5.985 ( -0.962 -2.600 -1.663) 3.233 5.985 ( -0.962 2.600 -1.663) 3.233 6.416 ( -2.728 -5.698 -1.801) 6.569 6.416 ( -2.728 5.698 -1.801) 6.569 7.102 ( -3.320 -5.482 -0.236) 6.413 7.102 ( -3.320 5.482 -0.236) 6.413 7.258 ( -0.244 -6.388 -0.892) 6.455 7.258 ( -0.244 6.388 -0.892) 6.455 7.635 ( 2.265 -3.828 0.700) 4.503 7.635 ( 2.265 3.828 0.700) 4.503 7.934 ( 4.750 -3.345 -0.960) 5.889 7.934 ( 4.750 3.345 -0.960) 5.889 8.300 ( -5.733 -4.417 0.896) 7.292 8.300 ( -5.733 4.417 0.896) 7.292 8.677 ( 2.536 -2.165 5.370) 6.321 8.677 ( 2.536 2.165 5.370) 6.321 9.062 ( -0.312 -3.336 -3.599) 4.918 9.062 ( -0.312 3.336 -3.599) 4.918 9.396 ( 0.567 -3.750 -0.223) 3.799 9.396 ( 0.567 3.750 -0.223) 3.799 10.129 ( 3.364 -1.427 0.552) 3.695 10.129 ( 3.364 1.427 0.552) 3.695 11.193 ( 0.311 -3.820 1.725) 4.202 11.193 ( 0.311 3.820 1.725) 4.202 11.497 ( -2.677 -6.175 -0.578) 6.755 11.497 ( -2.677 6.175 -0.578) 6.755 11.843 ( 0.848 -2.546 -0.878) 2.824 11.843 ( 0.848 2.546 -0.878) 2.824 12.951 ( -3.182 -2.002 0.394) 3.780 12.951 ( -3.182 2.002 0.394) 3.780 14.129 ( -2.843 -5.078 -1.008) 5.906 14.129 ( -2.843 5.078 -1.008) 5.906 14.514 ( -8.765 -3.668 0.820) 9.537 14.514 ( -8.765 3.668 0.820) 9.537 15.736 ( -4.126 -8.412 -0.753) 9.400 15.736 ( -4.126 8.412 -0.753) 9.400 16.323 ( -18.255 -11.425 1.523) 21.589 16.323 ( -18.255 11.425 1.523) 21.589 17.325 ( 3.180 -4.590 -0.034) 5.584 17.325 ( 3.180 4.590 -0.034) 5.584 18.941 ( 5.203 -2.429 -2.154) 6.133 18.941 ( 5.203 2.429 -2.154) 6.133 19.440 ( 3.190 -3.694 1.455) 5.093 19.440 ( 3.190 3.694 1.455) 5.093 20.403 ( 7.987 -12.031 -0.632) 14.455 20.403 ( 7.987 12.031 -0.632) 14.455 21.928 ( -6.662 -3.605 -0.129) 7.576 21.928 ( -6.662 3.605 -0.129) 7.576 22.605 ( -0.950 -1.928 0.345) 2.177 22.605 ( -0.950 1.928 0.345) 2.177 ======================= Grid point 59 (33/132) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 8.702 -2.117 -2.942) 9.426 2.002 ( 8.702 2.117 -2.942) 9.426 2.480 ( -5.051 -8.208 5.074) 10.892 2.480 ( -5.051 8.208 5.074) 10.892 2.771 ( 3.194 -12.057 4.530) 13.271 2.771 ( 3.194 12.057 4.530) 13.271 2.963 ( -3.983 -9.974 -5.053) 11.869 2.963 ( -3.983 9.974 -5.053) 11.869 3.631 ( 3.090 -5.737 -6.817) 9.431 3.631 ( 3.090 5.737 -6.817) 9.431 3.936 ( 6.101 -5.405 2.565) 8.545 3.936 ( 6.101 5.405 2.565) 8.545 4.533 ( -1.678 -7.920 -0.077) 8.096 4.533 ( -1.678 7.920 -0.077) 8.096 4.971 ( -3.549 -2.401 6.932) 8.149 4.971 ( -3.549 2.401 6.932) 8.149 5.395 ( 11.043 -2.106 -4.762) 12.209 5.395 ( 11.043 2.106 -4.762) 12.209 5.557 ( 1.274 -9.711 0.282) 9.799 5.557 ( 1.274 9.711 0.282) 9.799 5.879 ( 2.425 -3.368 -2.279) 4.735 5.879 ( 2.425 3.368 -2.279) 4.735 5.994 ( 1.579 -10.943 -0.705) 11.078 5.994 ( 1.579 10.943 -0.705) 11.078 6.376 ( -0.195 -7.776 2.515) 8.175 6.376 ( -0.195 7.776 2.515) 8.175 6.998 ( -6.344 -6.212 -1.019) 8.937 6.998 ( -6.344 6.212 -1.019) 8.937 7.238 ( -1.601 -6.385 -1.979) 6.874 7.238 ( -1.601 6.385 -1.979) 6.874 7.657 ( -0.064 -3.899 -1.087) 4.048 7.657 ( -0.064 3.899 -1.087) 4.048 8.046 ( 2.583 -7.088 -1.678) 7.729 8.046 ( 2.583 7.088 -1.678) 7.729 8.186 ( -2.877 -6.016 4.396) 7.987 8.186 ( -2.877 6.016 4.396) 7.987 8.764 ( 2.504 -1.430 5.364) 6.090 8.764 ( 2.504 1.430 5.364) 6.090 9.037 ( 0.971 -1.961 -5.081) 5.532 9.037 ( 0.971 1.961 -5.081) 5.532 9.420 ( 1.758 -6.003 0.400) 6.268 9.420 ( 1.758 6.003 0.400) 6.268 10.221 ( 5.282 -2.189 0.751) 5.766 10.221 ( 5.282 2.189 0.751) 5.766 11.187 ( -2.704 -4.917 1.798) 5.893 11.187 ( -2.704 4.917 1.798) 5.893 11.440 ( -2.281 -7.465 0.263) 7.810 11.440 ( -2.281 7.465 0.263) 7.810 11.848 ( 0.082 -4.174 -1.743) 4.524 11.848 ( 0.082 4.174 -1.743) 4.524 12.865 ( -5.531 -3.121 0.646) 6.384 12.865 ( -5.531 3.122 0.646) 6.384 14.000 ( -10.869 -8.451 1.117) 13.814 14.000 ( -10.869 8.451 1.117) 13.814 14.340 ( -6.247 -0.908 -2.604) 6.829 14.340 ( -6.247 0.908 -2.604) 6.829 15.572 ( -14.601 -7.911 2.984) 16.872 15.572 ( -14.601 7.911 2.984) 16.872 15.988 ( -11.617 -6.422 -1.652) 13.376 15.988 ( -11.617 6.422 -1.652) 13.376 17.366 ( 0.786 -3.161 0.492) 3.294 17.366 ( 0.786 3.161 0.492) 3.294 19.029 ( 4.186 -4.807 -1.476) 6.543 19.029 ( 4.186 4.807 -1.476) 6.543 19.529 ( 4.720 -5.343 0.864) 7.182 19.529 ( 4.720 5.343 0.864) 7.182 20.606 ( 12.035 -10.057 -1.181) 15.728 20.606 ( 12.035 10.057 -1.181) 15.728 21.753 ( -10.391 -4.786 0.189) 11.442 21.753 ( -10.391 4.786 0.189) 11.442 22.572 ( -2.596 -2.947 0.428) 3.951 22.572 ( -2.596 2.947 0.428) 3.951 ======================= Grid point 61 (34/132) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 8.257 -2.270 -3.883) 9.403 2.170 ( 8.257 2.270 -3.883) 9.403 2.413 ( -3.977 -4.963 7.864) 10.114 2.413 ( -3.977 4.963 7.864) 10.114 2.804 ( -0.872 -3.458 -0.505) 3.602 2.804 ( -0.872 3.458 -0.505) 3.602 2.979 ( 6.277 -2.572 0.766) 6.826 2.979 ( 6.277 2.572 0.766) 6.827 3.647 ( 3.468 -6.847 -8.329) 11.326 3.647 ( 3.468 6.847 -8.329) 11.326 4.022 ( 0.140 -7.598 3.406) 8.327 4.022 ( 0.140 7.598 3.406) 8.327 4.524 ( 1.090 -7.029 -0.168) 7.115 4.524 ( 1.090 7.029 -0.168) 7.115 4.911 ( -5.551 -0.840 3.602) 6.670 4.911 ( -5.551 0.840 3.602) 6.670 5.510 ( 2.511 -1.901 -5.232) 6.107 5.510 ( 2.511 1.901 -5.232) 6.107 5.660 ( 8.679 -3.452 1.524) 9.463 5.660 ( 8.679 3.452 1.524) 9.463 5.891 ( 0.106 -0.569 -6.656) 6.681 5.891 ( 0.106 0.569 -6.656) 6.681 6.058 ( 6.262 -10.254 2.384) 12.249 6.058 ( 6.262 10.255 2.384) 12.249 6.443 ( 2.947 -6.077 8.214) 10.634 6.443 ( 2.947 6.077 8.214) 10.634 6.855 ( -6.888 -5.238 -1.751) 8.829 6.855 ( -6.888 5.238 -1.751) 8.829 7.175 ( -2.840 -5.203 -3.034) 6.659 7.175 ( -2.840 5.203 -3.034) 6.659 7.627 ( -1.968 -1.444 -1.917) 3.104 7.627 ( -1.968 1.445 -1.917) 3.104 7.903 ( -10.879 -6.034 -0.126) 12.441 7.903 ( -10.879 6.034 -0.126) 12.441 8.320 ( 7.871 -4.010 4.633) 9.975 8.320 ( 7.871 4.010 4.633) 9.975 8.815 ( 1.896 -2.684 -1.352) 3.553 8.815 ( 1.896 2.684 -1.352) 3.553 9.069 ( 3.562 -0.185 -0.917) 3.682 9.069 ( 3.562 0.185 -0.917) 3.682 9.461 ( 1.800 -6.456 0.885) 6.760 9.461 ( 1.800 6.456 0.885) 6.760 10.336 ( 5.743 -2.644 0.520) 6.344 10.336 ( 5.743 2.644 0.520) 6.344 11.096 ( -6.474 -4.771 0.212) 8.045 11.096 ( -6.474 4.771 0.212) 8.045 11.420 ( -0.583 -8.484 2.032) 8.743 11.420 ( -0.583 8.484 2.032) 8.743 11.817 ( -2.457 -5.505 -1.962) 6.340 11.817 ( -2.457 5.505 -1.962) 6.340 12.754 ( -5.524 -5.433 0.589) 7.771 12.754 ( -5.524 5.433 0.589) 7.771 13.755 ( -12.949 -6.819 2.958) 14.931 13.755 ( -12.949 6.819 2.958) 14.931 14.250 ( -1.172 -2.091 -6.233) 6.678 14.250 ( -1.172 2.091 -6.233) 6.678 15.234 ( -18.761 -3.731 5.590) 19.928 15.234 ( -18.761 3.731 5.590) 19.928 15.858 ( -2.267 -4.572 -2.918) 5.878 15.858 ( -2.267 4.572 -2.918) 5.878 17.368 ( -0.620 -2.482 0.590) 2.625 17.368 ( -0.620 2.482 0.590) 2.625 19.086 ( 2.040 -8.508 -0.097) 8.750 19.086 ( 2.040 8.508 -0.097) 8.750 19.623 ( 4.392 -6.018 -0.208) 7.453 19.623 ( 4.392 6.018 -0.208) 7.453 20.832 ( 10.831 -7.874 -1.613) 13.488 20.832 ( 10.831 7.874 -1.613) 13.488 21.542 ( -10.579 -3.291 0.858) 11.112 21.542 ( -10.579 3.291 0.858) 11.112 22.511 ( -3.561 -3.610 0.328) 5.081 22.511 ( -3.561 3.610 0.328) 5.081 ======================= Grid point 63 (35/132) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -1.953 -5.148 -0.371) 5.519 2.206 ( -1.953 5.148 -0.371) 5.519 2.461 ( 4.351 -9.010 1.130) 10.069 2.461 ( 4.351 9.010 1.130) 10.070 2.803 ( 0.851 -7.979 1.188) 8.112 2.803 ( 0.851 7.979 1.188) 8.112 3.117 ( 5.447 -2.269 2.264) 6.320 3.117 ( 5.447 2.269 2.264) 6.320 3.688 ( 3.980 -4.941 -5.670) 8.509 3.688 ( 3.980 4.941 -5.670) 8.509 4.000 ( -2.762 -6.916 3.004) 8.030 4.000 ( -2.762 6.916 3.004) 8.030 4.540 ( -0.207 -2.582 -1.124) 2.824 4.540 ( -0.207 2.582 -1.124) 2.824 4.819 ( -3.476 -1.968 -0.070) 3.995 4.819 ( -3.476 1.968 -0.070) 3.995 5.526 ( 0.957 -1.508 -0.967) 2.031 5.526 ( 0.957 1.508 -0.967) 2.031 5.768 ( 1.577 -8.423 -3.711) 9.339 5.768 ( 1.577 8.423 -3.711) 9.339 5.892 ( 3.424 -9.369 -0.609) 9.994 5.892 ( 3.424 9.369 -0.609) 9.994 6.230 ( 8.131 -7.286 3.234) 11.387 6.230 ( 8.131 7.286 3.234) 11.387 6.514 ( -1.284 -5.392 3.105) 6.353 6.514 ( -1.284 5.392 3.105) 6.353 6.746 ( -2.049 -3.626 1.482) 4.421 6.746 ( -2.049 3.626 1.482) 4.421 7.116 ( -1.053 -2.324 -3.117) 4.028 7.116 ( -1.053 2.324 -3.117) 4.028 7.559 ( -3.963 -0.625 -1.594) 4.317 7.559 ( -3.963 0.625 -1.594) 4.317 7.701 ( -8.037 -6.398 0.369) 10.279 7.701 ( -8.037 6.398 0.369) 10.279 8.468 ( 4.279 -3.192 3.560) 6.417 8.468 ( 4.279 3.192 3.560) 6.417 8.843 ( 2.404 -3.350 -3.856) 5.645 8.843 ( 2.404 3.350 -3.856) 5.645 9.135 ( 2.441 -3.109 0.943) 4.064 9.135 ( 2.441 3.109 0.943) 4.064 9.497 ( 1.258 -6.489 0.782) 6.656 9.497 ( 1.258 6.489 0.782) 6.656 10.444 ( 4.570 -3.227 0.406) 5.609 10.444 ( 4.570 3.227 0.406) 5.609 10.962 ( -6.044 -4.033 -0.813) 7.312 10.962 ( -6.044 4.033 -0.813) 7.312 11.430 ( 0.232 -10.615 2.563) 10.923 11.430 ( 0.232 10.615 2.563) 10.923 11.736 ( -3.961 -5.518 -1.766) 7.018 11.736 ( -3.961 5.518 -1.766) 7.018 12.670 ( -2.956 -7.617 0.301) 8.176 12.670 ( -2.956 7.617 0.301) 8.176 13.566 ( -7.015 -3.236 2.162) 8.023 13.566 ( -7.015 3.236 2.162) 8.023 14.208 ( -0.020 -4.394 -5.513) 7.050 14.208 ( -0.020 4.394 -5.513) 7.050 14.960 ( -10.893 -1.970 4.560) 11.972 14.960 ( -10.893 1.970 4.560) 11.972 15.821 ( -0.632 -2.965 -1.675) 3.463 15.821 ( -0.632 2.965 -1.675) 3.463 17.357 ( -0.613 -1.878 0.377) 2.012 17.357 ( -0.613 1.878 0.377) 2.012 19.114 ( 0.788 -10.465 0.312) 10.499 19.114 ( 0.788 10.465 0.312) 10.499 19.693 ( 2.690 -6.400 -0.442) 6.957 19.693 ( 2.690 6.400 -0.442) 6.957 21.000 ( 6.696 -6.308 -1.652) 9.347 21.000 ( 6.696 6.308 -1.652) 9.347 21.365 ( -7.308 -0.688 1.296) 7.454 21.365 ( -7.308 0.688 1.296) 7.454 22.447 ( -2.631 -4.028 0.171) 4.814 22.447 ( -2.631 4.028 0.171) 4.814 ======================= Grid point 65 (36/132) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 -0.741 0.000) 0.741 2.177 ( 0.000 0.741 0.000) 0.741 2.511 ( 0.000 -6.047 0.000) 6.047 2.511 ( 0.000 6.047 0.000) 6.047 2.825 ( 0.000 -7.441 0.000) 7.441 2.825 ( 0.000 7.441 0.000) 7.441 3.183 ( 0.000 -2.330 -0.000) 2.330 3.183 ( 0.000 2.330 0.000) 2.330 3.716 ( 0.000 -3.507 0.000) 3.507 3.716 ( 0.000 3.507 0.000) 3.507 3.980 ( 0.000 -7.004 -0.000) 7.004 3.980 ( 0.000 7.004 0.000) 7.004 4.520 ( 0.000 -4.249 -0.000) 4.249 4.520 ( 0.000 4.249 0.000) 4.249 4.789 ( 0.000 -3.288 0.000) 3.288 4.789 ( 0.000 3.288 0.000) 3.288 5.532 ( 0.000 -1.676 0.000) 1.676 5.532 ( 0.000 1.676 -0.000) 1.676 5.764 ( 0.000 -5.264 0.000) 5.264 5.764 ( 0.000 5.264 0.000) 5.264 5.937 ( 0.000 -9.902 0.000) 9.902 5.937 ( 0.000 9.902 0.000) 9.902 6.363 ( 0.000 -2.212 0.000) 2.212 6.363 ( 0.000 2.212 0.000) 2.212 6.446 ( -0.000 -2.341 -0.000) 2.341 6.446 ( 0.000 2.341 0.000) 2.341 6.762 ( 0.000 -0.608 0.000) 0.608 6.762 ( 0.000 0.608 0.000) 0.608 7.099 ( 0.000 -1.900 0.000) 1.900 7.099 ( -0.000 1.900 0.000) 1.900 7.494 ( -0.000 -4.197 0.000) 4.197 7.494 ( 0.000 4.197 0.000) 4.197 7.625 ( 0.000 -1.052 0.000) 1.052 7.625 ( -0.000 1.052 0.000) 1.052 8.521 ( 0.000 -2.297 0.000) 2.297 8.521 ( 0.000 2.297 0.000) 2.297 8.859 ( 0.000 -3.449 0.000) 3.449 8.859 ( 0.000 3.449 0.000) 3.449 9.163 ( 0.000 -4.266 0.000) 4.266 9.163 ( 0.000 4.266 -0.000) 4.266 9.513 ( 0.000 -6.616 0.000) 6.616 9.513 ( 0.000 6.616 0.000) 6.616 10.498 ( 0.000 -3.717 0.000) 3.717 10.498 ( 0.000 3.717 0.000) 3.717 10.889 ( 0.000 -1.765 0.000) 1.765 10.889 ( 0.000 1.765 0.000) 1.765 11.445 ( -0.000 -11.536 -0.000) 11.536 11.445 ( 0.000 11.536 0.000) 11.536 11.682 ( 0.000 -2.543 0.000) 2.543 11.682 ( 0.000 2.543 -0.000) 2.543 12.641 ( 0.000 -8.403 0.000) 8.403 12.641 ( 0.000 8.403 0.000) 8.403 13.503 ( 0.000 -0.110 0.000) 0.110 13.503 ( 0.000 0.110 0.000) 0.110 14.192 ( 0.000 -5.553 0.000) 5.553 14.192 ( 0.000 5.553 0.000) 5.553 14.864 ( 0.000 -1.107 0.000) 1.107 14.864 ( 0.000 1.107 0.000) 1.107 15.810 ( 0.000 -1.690 0.000) 1.690 15.810 ( 0.000 1.690 0.000) 1.690 17.352 ( 0.000 -1.668 0.000) 1.668 17.352 ( 0.000 1.668 0.000) 1.668 19.122 ( 0.000 -11.082 0.000) 11.082 19.122 ( 0.000 11.082 0.000) 11.082 19.719 ( 0.000 -6.526 0.000) 6.526 19.719 ( 0.000 6.526 -0.000) 6.526 21.067 ( 0.000 -6.512 0.000) 6.512 21.067 ( 0.000 6.512 0.000) 6.512 21.289 ( -0.000 -4.181 0.000) 4.181 21.289 ( 0.000 4.181 0.000) 4.181 22.420 ( 0.000 -4.166 0.000) 4.166 22.420 ( 0.000 4.166 0.000) 4.166 ======================= Grid point 121 (37/132) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -12.755 0.000 28.357) 31.094 0.596 ( 4.840 0.000 28.543) 28.951 1.292 ( -4.761 0.000 59.046) 59.237 1.799 ( -2.481 0.000 -22.818) 22.953 1.826 ( 4.741 0.000 -27.545) 27.950 2.733 ( 0.970 0.000 19.118) 19.142 2.850 ( -3.659 0.000 10.172) 10.810 3.451 ( 3.467 0.000 -13.247) 13.693 3.555 ( -0.818 0.000 -4.113) 4.194 3.750 ( 3.398 0.000 -29.683) 29.877 3.907 ( -2.086 0.000 3.842) 4.372 4.000 ( -3.103 0.000 2.092) 3.742 4.403 ( 0.363 0.000 -2.383) 2.411 4.493 ( 2.388 0.000 -10.845) 11.105 4.859 ( -2.372 0.000 6.589) 7.003 5.108 ( 2.023 0.000 -2.412) 3.148 5.130 ( 7.979 0.000 -3.743) 8.813 5.197 ( -3.934 0.000 -6.382) 7.497 5.397 ( -12.882 0.000 6.562) 14.457 5.483 ( 2.300 0.000 7.063) 7.428 5.699 ( -0.052 0.000 -1.230) 1.231 5.847 ( 4.693 0.000 -9.222) 10.347 6.089 ( 7.326 0.000 12.091) 14.137 6.375 ( -8.666 0.000 -1.640) 8.820 6.552 ( -1.613 0.000 3.232) 3.612 6.707 ( 2.314 0.000 -3.593) 4.274 6.922 ( -0.780 0.000 7.945) 7.983 7.007 ( -1.321 0.000 7.259) 7.379 7.369 ( -2.054 0.000 3.773) 4.296 7.471 ( -0.935 0.000 -6.389) 6.457 7.565 ( -3.328 0.000 15.230) 15.590 7.604 ( 2.647 0.000 -4.921) 5.588 7.645 ( 0.456 0.000 -7.685) 7.698 8.052 ( -4.835 0.000 4.061) 6.314 8.156 ( 0.852 0.000 -4.149) 4.236 8.286 ( 2.024 0.000 -10.346) 10.542 8.530 ( 2.846 0.000 8.415) 8.883 8.885 ( -4.836 0.000 -5.987) 7.696 9.344 ( 3.739 0.000 5.825) 6.922 9.383 ( -1.306 0.000 1.708) 2.150 9.461 ( 4.942 0.000 -1.396) 5.135 9.544 ( -5.961 0.000 -2.626) 6.514 9.744 ( 36.594 0.000 2.714) 36.694 9.859 ( -5.227 0.000 -1.857) 5.547 11.062 ( -0.942 0.000 2.407) 2.585 11.242 ( 2.147 0.000 -5.155) 5.584 11.364 ( -3.957 0.000 2.482) 4.671 11.423 ( 5.751 0.000 0.868) 5.816 11.759 ( 0.653 0.000 7.334) 7.363 12.181 ( -43.611 0.000 -9.354) 44.603 12.484 ( 13.005 0.000 1.752) 13.123 12.599 ( -19.945 0.000 -1.679) 20.016 13.587 ( -0.166 0.000 1.914) 1.921 13.689 ( -0.573 0.000 -2.086) 2.163 14.011 ( -0.299 0.000 2.019) 2.041 14.254 ( -9.097 0.000 -9.832) 13.395 15.395 ( -8.292 0.000 17.668) 19.517 16.048 ( 4.359 0.000 -9.522) 10.472 16.416 ( 55.054 0.000 4.938) 55.275 16.695 ( -11.535 0.000 -5.758) 12.893 17.884 (-127.496 0.000 5.169) 127.601 18.244 ( 37.875 0.000 -11.010) 39.443 18.915 ( -9.374 0.000 11.214) 14.616 19.126 ( -1.177 0.000 -0.624) 1.332 19.316 ( -5.735 0.000 2.243) 6.158 19.551 ( 5.556 0.000 -5.328) 7.697 20.805 ( -5.343 0.000 3.568) 6.425 21.060 ( 14.481 0.000 -6.593) 15.912 22.017 ( -0.890 0.000 0.267) 0.929 22.052 ( 7.372 0.000 -2.028) 7.646 22.302 ( 0.987 0.000 8.845) 8.900 22.619 ( -0.479 0.000 -4.602) 4.627 ======================= Grid point 122 (38/132) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 2.887 0.000 20.935) 21.133 0.925 ( 12.390 0.000 23.561) 26.620 1.582 ( 5.306 0.000 -10.973) 12.189 1.802 ( 7.049 0.000 -26.759) 27.672 1.843 ( 16.031 0.000 44.567) 47.363 2.850 ( 1.751 0.000 19.227) 19.307 2.863 ( 2.722 0.000 2.671) 3.814 3.426 ( 1.174 0.000 -12.836) 12.890 3.537 ( 1.361 0.000 -5.209) 5.384 3.738 ( 10.397 0.000 -26.314) 28.294 3.878 ( -2.589 0.000 2.013) 3.279 3.955 ( -3.452 0.000 4.328) 5.536 4.382 ( -3.262 0.000 -0.991) 3.409 4.423 ( -3.296 0.000 -11.021) 11.503 4.973 ( 7.856 0.000 2.488) 8.241 5.053 ( -4.058 0.000 -6.971) 8.066 5.198 ( -9.446 0.000 7.900) 12.314 5.198 ( 4.276 0.000 -2.483) 4.945 5.279 ( 7.891 0.000 -3.013) 8.446 5.526 ( -0.782 0.000 7.426) 7.467 5.648 ( -2.605 0.000 -3.490) 4.355 5.901 ( 5.391 0.000 -6.199) 8.215 6.164 ( -8.981 0.000 -5.960) 10.779 6.307 ( 5.444 0.000 15.700) 16.617 6.534 ( -0.037 0.000 -0.028) 0.047 6.712 ( -1.158 0.000 -1.683) 2.043 6.940 ( 2.277 0.000 8.799) 9.089 7.070 ( 3.269 0.000 7.726) 8.389 7.320 ( -4.436 0.000 4.577) 6.374 7.362 ( -5.429 0.000 -5.799) 7.944 7.539 ( -5.316 0.000 11.339) 12.523 7.647 ( 3.175 0.000 -7.814) 8.434 7.667 ( 3.107 0.000 -0.590) 3.163 8.012 ( -0.962 0.000 2.179) 2.382 8.066 ( -5.381 0.000 -4.607) 7.083 8.483 ( 15.570 0.000 -6.427) 16.845 8.699 ( 6.897 0.000 9.640) 11.853 8.792 ( 1.526 0.000 -6.242) 6.425 9.190 ( -15.771 0.000 -4.990) 16.541 9.333 ( -5.730 0.000 5.588) 8.004 9.447 ( -0.774 0.000 -1.608) 1.785 9.517 ( 1.477 0.000 2.799) 3.165 9.803 ( 0.892 0.000 -4.700) 4.784 10.384 ( 18.451 0.000 -23.273) 29.700 10.933 ( -40.310 0.000 31.013) 50.860 11.072 ( 0.629 0.000 2.366) 2.448 11.320 ( -1.544 0.000 -0.504) 1.624 11.424 ( 7.914 0.000 -8.093) 11.319 11.596 ( 5.535 0.000 4.227) 6.964 11.797 ( -0.644 0.000 9.507) 9.529 12.503 ( 3.244 0.000 -10.482) 10.973 12.701 ( 3.846 0.000 9.578) 10.321 13.660 ( 6.243 0.000 1.963) 6.544 13.698 ( 3.258 0.000 -2.372) 4.030 14.007 ( -1.319 0.000 3.772) 3.996 14.173 ( 1.698 0.000 -7.777) 7.960 15.365 ( -4.857 0.000 16.018) 16.739 16.032 ( -2.331 0.000 -7.088) 7.461 16.455 ( -4.941 0.000 -16.624) 17.343 16.468 ( -37.116 0.000 34.363) 50.581 17.342 ( 34.549 0.000 -28.651) 44.883 18.567 ( -13.546 0.000 21.649) 25.537 18.944 ( 2.244 0.000 4.285) 4.837 19.115 ( 1.953 0.000 -2.869) 3.470 19.320 ( 13.862 0.000 -0.490) 13.871 19.613 ( 3.307 0.000 -1.964) 3.846 20.756 ( 0.358 0.000 0.187) 0.404 21.230 ( 6.676 0.000 -8.147) 10.533 21.973 ( -3.314 0.000 -1.275) 3.550 22.048 ( -4.372 0.000 0.562) 4.408 22.361 ( 0.372 0.000 10.135) 10.142 22.629 ( 4.042 0.000 -6.340) 7.519 ======================= Grid point 123 (39/132) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 24.074 0.000 0.560) 24.081 1.293 ( 13.476 0.000 13.890) 19.353 1.707 ( 13.786 0.000 -10.275) 17.194 1.843 ( 11.644 0.000 -19.943) 23.093 2.494 ( 22.321 0.000 39.321) 45.214 2.989 ( 2.428 0.000 15.927) 16.111 3.004 ( 10.611 0.000 -1.549) 10.723 3.362 ( -1.762 0.000 -9.776) 9.934 3.543 ( 1.303 0.000 -3.205) 3.459 3.801 ( 0.120 0.000 -3.518) 3.520 3.830 ( -2.573 0.000 -1.856) 3.173 3.952 ( 9.753 0.000 -15.510) 18.321 4.260 ( -7.433 0.000 -8.390) 11.209 4.315 ( -2.549 0.000 4.463) 5.140 4.936 ( -2.841 0.000 -10.457) 10.836 4.985 ( -6.773 0.000 5.394) 8.659 5.162 ( -8.103 0.000 -0.289) 8.109 5.174 ( -2.060 0.000 4.626) 5.064 5.375 ( 5.268 0.000 -5.625) 7.706 5.621 ( 6.014 0.000 8.441) 10.365 5.646 ( 4.021 0.000 -4.015) 5.682 5.978 ( -4.062 0.000 -7.971) 8.946 6.015 ( 8.697 0.000 -1.789) 8.879 6.438 ( 0.889 0.000 13.456) 13.486 6.586 ( 4.328 0.000 0.606) 4.371 6.674 ( -1.257 0.000 -0.864) 1.525 7.064 ( 4.728 0.000 4.502) 6.529 7.091 ( -6.448 0.000 -5.014) 8.168 7.255 ( -4.061 0.000 3.794) 5.558 7.293 ( 1.044 0.000 3.672) 3.817 7.505 ( -3.575 0.000 12.824) 13.313 7.672 ( 2.982 0.000 -6.795) 7.421 7.706 ( 1.190 0.000 2.114) 2.426 7.928 ( -6.126 0.000 -3.190) 6.907 8.040 ( 3.701 0.000 -2.365) 4.392 8.640 ( 1.079 0.000 -2.635) 2.848 8.723 ( -9.048 0.000 -5.754) 10.723 8.897 ( 11.790 0.000 -7.459) 13.951 8.964 ( -2.914 0.000 4.861) 5.668 9.218 ( -6.961 0.000 4.563) 8.323 9.406 ( -3.215 0.000 -2.433) 4.032 9.561 ( 1.489 0.000 3.491) 3.795 9.857 ( 6.020 0.000 0.502) 6.040 10.276 ( -9.477 0.000 -6.811) 11.670 10.764 ( 0.847 0.000 12.470) 12.499 11.098 ( -0.342 0.000 3.095) 3.114 11.290 ( -0.009 0.000 -2.938) 2.938 11.488 ( 3.389 0.000 -11.498) 11.987 11.765 ( 6.450 0.000 4.534) 7.884 11.854 ( 1.469 0.000 8.579) 8.704 12.516 ( 3.562 0.000 -12.014) 12.531 12.732 ( -4.288 0.000 7.224) 8.401 13.801 ( 8.270 0.000 -2.522) 8.646 13.814 ( 6.893 0.000 0.956) 6.959 14.019 ( -0.085 0.000 7.973) 7.974 14.166 ( 2.560 0.000 -10.905) 11.201 15.359 ( -4.368 0.000 15.335) 15.945 15.881 ( -6.924 0.000 -9.016) 11.368 16.148 ( -15.940 0.000 22.191) 27.322 16.340 ( 1.592 0.000 -17.300) 17.373 17.609 ( 10.014 0.000 -23.681) 25.712 18.317 ( -22.615 0.000 28.580) 36.445 18.790 ( -11.878 0.000 -1.927) 12.033 19.181 ( 7.239 0.000 -8.865) 11.445 19.671 ( 3.100 0.000 0.267) 3.111 19.692 ( 13.743 0.000 6.375) 15.150 20.846 ( 8.068 0.000 1.269) 8.168 21.274 ( 2.339 0.000 -5.933) 6.377 21.871 ( -5.605 0.000 -3.245) 6.477 21.949 ( -6.080 0.000 3.142) 6.844 22.414 ( -1.396 0.000 11.686) 11.769 22.689 ( 5.420 0.000 -8.028) 9.686 ======================= Grid point 124 (40/132) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 26.502 0.000 -5.040) 26.977 1.605 ( 14.198 0.000 4.283) 14.829 1.972 ( 14.997 0.000 -2.011) 15.132 2.078 ( 17.401 0.000 -4.576) 17.993 2.960 ( 6.575 0.000 8.368) 10.642 3.188 ( -3.818 0.000 7.274) 8.215 3.217 ( 10.703 0.000 23.974) 26.255 3.254 ( 7.067 0.000 -21.668) 22.791 3.578 ( 3.789 0.000 7.530) 8.429 3.733 ( -4.542 0.000 -6.338) 7.797 3.747 ( -2.802 0.000 6.376) 6.965 4.054 ( -8.886 0.000 -4.933) 10.163 4.154 ( 17.716 0.000 -20.136) 26.820 4.361 ( 3.802 0.000 5.621) 6.786 4.830 ( -2.151 0.000 -13.007) 13.183 4.891 ( -6.050 0.000 7.591) 9.707 4.941 ( -11.959 0.000 1.652) 12.073 5.026 ( -12.084 0.000 0.299) 12.088 5.463 ( 3.990 0.000 -4.458) 5.983 5.590 ( -5.336 0.000 -4.739) 7.136 5.779 ( 4.371 0.000 8.832) 9.854 6.043 ( 11.730 0.000 -4.483) 12.558 6.212 ( 9.498 0.000 1.243) 9.579 6.553 ( 3.687 0.000 13.757) 14.243 6.654 ( 1.386 0.000 0.965) 1.689 6.685 ( 3.102 0.000 1.939) 3.658 6.874 ( -10.029 0.000 -4.615) 11.040 7.110 ( -2.660 0.000 1.890) 3.263 7.228 ( -7.216 0.000 -6.693) 9.842 7.238 ( 1.397 0.000 1.994) 2.435 7.560 ( -0.653 0.000 13.582) 13.598 7.653 ( -2.720 0.000 -8.176) 8.616 7.804 ( 7.951 0.000 3.631) 8.740 7.811 ( -2.928 0.000 -1.769) 3.421 8.116 ( 5.416 0.000 -5.005) 7.374 8.517 ( -6.518 0.000 -2.238) 6.892 8.543 ( -9.274 0.000 3.048) 9.762 8.930 ( -3.960 0.000 1.347) 4.183 9.080 ( 8.734 0.000 -5.137) 10.133 9.163 ( 1.269 0.000 -3.740) 3.949 9.306 ( -4.804 0.000 -1.623) 5.071 9.605 ( 1.590 0.000 -1.251) 2.023 10.011 ( 6.231 0.000 5.968) 8.628 10.119 ( -3.621 0.000 -2.430) 4.361 10.894 ( 6.205 0.000 7.098) 9.428 11.063 ( -4.631 0.000 3.221) 5.641 11.314 ( 3.578 0.000 -1.971) 4.085 11.456 ( -0.928 0.000 -7.908) 7.962 11.868 ( 0.946 0.000 7.421) 7.481 11.938 ( 3.196 0.000 4.694) 5.679 12.506 ( 1.934 0.000 -11.634) 11.793 12.653 ( -5.377 0.000 1.953) 5.721 13.910 ( 2.815 0.000 0.828) 2.934 13.962 ( 7.178 0.000 -1.687) 7.374 14.083 ( 0.107 0.000 10.304) 10.305 14.187 ( 8.044 0.000 -14.218) 16.336 15.357 ( -4.262 0.000 15.369) 15.949 15.728 ( -1.441 0.000 -11.779) 11.867 15.974 ( -12.822 0.000 15.265) 19.935 16.285 ( 0.302 0.000 -12.875) 12.879 17.606 ( 2.580 0.000 -15.554) 15.766 18.002 ( -22.572 0.000 21.912) 31.459 18.569 ( -9.007 0.000 1.847) 9.194 19.270 ( 7.369 0.000 -14.647) 16.396 19.741 ( 3.170 0.000 2.603) 4.102 19.891 ( 4.572 0.000 4.424) 6.362 21.047 ( 9.596 0.000 3.713) 10.289 21.279 ( 1.254 0.000 -3.988) 4.181 21.727 ( -6.593 0.000 -4.164) 7.798 21.844 ( -6.027 0.000 2.316) 6.457 22.426 ( -4.090 0.000 12.995) 13.624 22.748 ( 5.072 0.000 -8.470) 9.873 ======================= Grid point 125 (41/132) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 20.659 0.000 -0.499) 20.666 1.921 ( 13.149 0.000 7.914) 15.347 2.236 ( 11.143 0.000 1.107) 11.198 2.412 ( 16.112 0.000 0.119) 16.112 2.929 ( -16.585 0.000 -0.980) 16.614 3.041 ( 1.742 0.000 -0.663) 1.864 3.333 ( -4.428 0.000 5.090) 6.747 3.348 ( 7.379 0.000 -18.685) 20.089 3.529 ( -7.521 0.000 -4.387) 8.707 3.795 ( -1.402 0.000 4.662) 4.868 3.912 ( 0.959 0.000 2.758) 2.920 3.964 ( 18.149 0.000 15.541) 23.893 4.350 ( 5.626 0.000 -10.693) 12.083 4.467 ( 3.960 0.000 0.674) 4.017 4.685 ( 0.260 0.000 -8.929) 8.933 4.723 ( -18.191 0.000 0.516) 18.198 4.807 ( -7.444 0.000 7.060) 10.259 4.837 ( 0.736 0.000 -4.038) 4.104 5.418 ( -4.001 0.000 3.690) 5.442 5.603 ( 7.866 0.000 -2.283) 8.191 5.895 ( 3.215 0.000 7.620) 8.270 6.246 ( 9.376 0.000 -3.920) 10.162 6.275 ( -6.649 0.000 0.929) 6.713 6.580 ( -7.833 0.000 1.589) 7.993 6.705 ( 2.607 0.000 -0.602) 2.675 6.789 ( 2.782 0.000 8.549) 8.990 6.829 ( 8.038 0.000 4.547) 9.235 7.036 ( -4.085 0.000 -0.194) 4.089 7.043 ( -2.267 0.000 -10.486) 10.728 7.288 ( 1.104 0.000 3.093) 3.284 7.470 ( -8.567 0.000 -7.131) 11.146 7.587 ( -2.527 0.000 9.387) 9.722 7.800 ( 2.077 0.000 -3.348) 3.940 7.998 ( 8.756 0.000 0.895) 8.801 8.164 ( 0.366 0.000 -5.376) 5.388 8.372 ( -9.147 0.000 4.419) 10.158 8.447 ( -1.261 0.000 3.033) 3.284 8.871 ( -0.842 0.000 2.350) 2.496 9.140 ( 1.150 0.000 -5.201) 5.327 9.217 ( 5.574 0.000 -9.904) 11.365 9.226 ( -2.824 0.000 1.404) 3.153 9.580 ( -1.364 0.000 -8.651) 8.758 10.111 ( 1.788 0.000 4.575) 4.912 10.126 ( 1.529 0.000 6.567) 6.742 10.980 ( -4.761 0.000 2.946) 5.599 11.064 ( 8.094 0.000 -0.176) 8.096 11.379 ( -3.926 0.000 -0.478) 3.955 11.385 ( 3.261 0.000 1.135) 3.453 11.900 ( -1.954 0.000 9.879) 10.071 12.026 ( 4.318 0.000 -0.089) 4.319 12.475 ( 1.357 0.000 -10.820) 10.905 12.552 ( -4.908 0.000 -1.930) 5.274 13.956 ( 1.179 0.000 0.915) 1.492 14.025 ( 1.762 0.000 -3.336) 3.773 14.092 ( -4.540 0.000 9.944) 10.931 14.356 ( 14.967 0.000 -14.585) 20.899 15.346 ( -5.841 0.000 15.623) 16.680 15.726 ( 7.769 0.000 -12.295) 14.545 15.797 ( -11.824 0.000 12.168) 16.967 16.201 ( -2.881 0.000 -8.409) 8.889 17.596 ( 3.980 0.000 -9.761) 10.541 17.684 ( -17.812 0.000 11.366) 21.129 18.472 ( -3.723 0.000 8.868) 9.618 19.304 ( 5.292 0.000 -18.882) 19.609 19.822 ( 2.846 0.000 4.677) 5.475 19.957 ( 0.811 0.000 2.121) 2.270 21.235 ( 6.754 0.000 3.567) 7.638 21.291 ( 1.722 0.000 -1.850) 2.527 21.583 ( -5.133 0.000 -3.342) 6.126 21.734 ( -5.613 0.000 -0.483) 5.633 22.401 ( -5.383 0.000 13.548) 14.579 22.799 ( 4.403 0.000 -7.719) 8.886 ======================= Grid point 126 (42/132) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -6.549 0.000 8.985) 11.119 2.148 ( 2.426 0.000 12.061) 12.303 2.456 ( 12.439 0.000 -2.409) 12.670 2.637 ( -4.306 0.000 0.209) 4.311 2.692 ( 7.583 0.000 -1.363) 7.705 2.988 ( -6.946 0.000 -7.258) 10.047 3.136 ( -12.117 0.000 -5.220) 13.194 3.396 ( 8.167 0.000 -14.360) 16.520 3.504 ( 4.678 0.000 3.670) 5.946 3.682 ( -6.515 0.000 -3.963) 7.626 4.053 ( 2.110 0.000 8.686) 8.939 4.222 ( -8.410 0.000 0.951) 8.463 4.317 ( 3.030 0.000 0.457) 3.064 4.352 ( -11.546 0.000 5.308) 12.707 4.521 ( 2.997 0.000 -5.361) 6.141 4.727 ( -1.358 0.000 6.186) 6.333 4.786 ( 7.010 0.000 -8.352) 10.904 4.906 ( 9.697 0.000 -3.199) 10.211 5.451 ( 3.994 0.000 10.416) 11.155 5.834 ( 12.344 0.000 9.459) 15.552 5.973 ( -2.083 0.000 -0.989) 2.306 6.051 ( -9.694 0.000 4.184) 10.558 6.320 ( -13.264 0.000 -13.204) 18.716 6.358 ( 4.017 0.000 -3.310) 5.205 6.755 ( 0.246 0.000 3.220) 3.229 6.840 ( 0.109 0.000 5.932) 5.933 6.873 ( -6.375 0.000 0.208) 6.379 6.990 ( -2.862 0.000 -1.463) 3.214 7.138 ( 10.309 0.000 -0.015) 10.309 7.177 ( -5.805 0.000 -3.214) 6.635 7.526 ( 11.947 0.000 6.934) 13.813 7.562 ( -4.430 0.000 5.972) 7.435 7.839 ( 3.778 0.000 -4.106) 5.580 7.991 ( -9.026 0.000 -10.843) 14.108 8.197 ( 8.808 0.000 1.807) 8.991 8.232 ( -6.396 0.000 0.965) 6.468 8.494 ( 2.156 0.000 7.150) 7.468 8.919 ( 1.038 0.000 5.879) 5.970 9.093 ( -1.543 0.000 -12.197) 12.294 9.219 ( 0.243 0.000 -9.488) 9.491 9.231 ( 2.334 0.000 4.454) 5.029 9.487 ( -2.534 0.000 -9.205) 9.548 10.140 ( -3.038 0.000 5.067) 5.908 10.203 ( 3.681 0.000 5.966) 7.011 10.925 ( -1.915 0.000 2.339) 3.023 11.138 ( -0.242 0.000 -6.803) 6.807 11.358 ( 1.942 0.000 4.871) 5.244 11.446 ( 1.476 0.000 4.028) 4.290 11.922 ( -1.445 0.000 13.158) 13.237 12.103 ( 4.027 0.000 -2.945) 4.989 12.429 ( -5.940 0.000 -4.437) 7.414 12.452 ( 2.308 0.000 -10.529) 10.779 13.944 ( -2.860 0.000 0.520) 2.907 14.032 ( 0.909 0.000 -3.495) 3.611 14.052 ( -3.452 0.000 7.501) 8.257 14.558 ( 12.572 0.000 -15.233) 19.751 15.261 ( -11.236 0.000 15.105) 18.826 15.686 ( -5.184 0.000 11.911) 12.990 15.871 ( 11.490 0.000 -11.959) 16.584 16.100 ( -2.351 0.000 -4.251) 4.857 17.443 ( -10.426 0.000 4.203) 11.241 17.671 ( 7.578 0.000 -4.436) 8.781 18.506 ( 0.955 0.000 12.426) 12.462 19.288 ( 4.458 0.000 -21.136) 21.601 19.895 ( 1.377 0.000 5.765) 5.927 19.954 ( -1.788 0.000 0.459) 1.846 21.302 ( -2.525 0.000 1.131) 2.767 21.330 ( 2.455 0.000 0.724) 2.559 21.547 ( 3.782 0.000 0.092) 3.784 21.620 ( -4.359 0.000 -4.174) 6.035 22.367 ( -5.105 0.000 12.813) 13.792 22.839 ( 3.434 0.000 -6.500) 7.351 ======================= Grid point 127 (43/132) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -22.773 0.000 -0.601) 22.781 2.119 ( -11.955 0.000 14.314) 18.650 2.577 ( -7.293 0.000 -11.213) 13.376 2.637 ( -0.074 0.000 6.969) 6.970 2.641 ( -13.776 0.000 -1.301) 13.837 2.767 ( -1.148 0.000 -4.333) 4.482 3.004 ( -2.395 0.000 -1.233) 2.694 3.502 ( 1.550 0.000 -5.841) 6.043 3.586 ( 8.059 0.000 -9.254) 12.271 3.631 ( 3.194 0.000 7.070) 7.758 3.867 ( -16.499 0.000 6.998) 17.922 4.102 ( -0.108 0.000 11.249) 11.250 4.201 ( -6.690 0.000 -8.317) 10.674 4.480 ( 8.656 0.000 -1.118) 8.728 4.578 ( 3.802 0.000 -4.521) 5.907 4.816 ( 7.319 0.000 0.927) 7.377 4.835 ( 2.883 0.000 -4.059) 4.979 5.115 ( 10.138 0.000 0.279) 10.142 5.655 ( 7.563 0.000 14.396) 16.262 5.727 ( -12.894 0.000 -2.071) 13.060 5.955 ( -7.574 0.000 -20.446) 21.803 6.094 ( -1.161 0.000 0.654) 1.333 6.113 ( 5.363 0.000 16.073) 16.944 6.383 ( -0.046 0.000 1.241) 1.241 6.688 ( -8.431 0.000 -0.641) 8.456 6.756 ( -2.298 0.000 6.656) 7.041 6.884 ( 1.370 0.000 3.677) 3.924 6.896 ( -2.337 0.000 -3.426) 4.147 7.117 ( -0.487 0.000 -5.925) 5.945 7.326 ( 7.036 0.000 1.902) 7.288 7.450 ( -8.459 0.000 -1.397) 8.574 7.772 ( -5.683 0.000 -5.262) 7.745 7.796 ( 6.693 0.000 6.177) 9.108 7.904 ( 2.484 0.000 1.702) 3.011 8.173 ( 5.089 0.000 -5.071) 7.184 8.425 ( 12.203 0.000 3.711) 12.754 8.553 ( -2.160 0.000 10.645) 10.862 8.928 ( -2.029 0.000 3.539) 4.079 8.948 ( -4.060 0.000 -18.429) 18.871 9.133 ( -4.562 0.000 -7.462) 8.746 9.349 ( 5.453 0.000 5.773) 7.941 9.407 ( -0.346 0.000 -7.154) 7.162 10.078 ( -5.137 0.000 4.046) 6.539 10.284 ( 1.148 0.000 2.968) 3.182 10.935 ( 1.912 0.000 1.214) 2.265 11.056 ( -4.658 0.000 2.173) 5.140 11.435 ( 4.229 0.000 -5.769) 7.153 11.487 ( 0.069 0.000 5.481) 5.481 12.004 ( 1.640 0.000 17.599) 17.675 12.128 ( -2.041 0.000 -0.722) 2.165 12.276 ( -4.647 0.000 -8.343) 9.549 12.453 ( 3.508 0.000 -11.049) 11.593 13.890 ( -2.179 0.000 1.497) 2.644 14.014 ( -3.823 0.000 2.557) 4.599 14.016 ( -1.070 0.000 -2.716) 2.919 14.665 ( 5.477 0.000 -13.557) 14.622 15.119 ( -8.892 0.000 14.077) 16.651 15.694 ( -1.556 0.000 11.082) 11.191 15.916 ( -0.701 0.000 -6.317) 6.356 16.197 ( 14.085 0.000 -6.783) 15.633 17.315 ( -3.878 0.000 -0.067) 3.878 17.854 ( 11.778 0.000 1.562) 11.881 18.628 ( 4.193 0.000 12.286) 12.982 19.268 ( 5.298 0.000 -21.124) 21.778 19.892 ( -4.360 0.000 -0.735) 4.421 19.932 ( -0.991 0.000 6.385) 6.462 21.205 ( -6.419 0.000 1.471) 6.586 21.391 ( 2.228 0.000 3.975) 4.557 21.525 ( -1.508 0.000 -8.669) 8.800 21.680 ( 7.522 0.000 1.656) 7.702 22.336 ( -4.479 0.000 10.817) 11.707 22.861 ( 1.904 0.000 -5.281) 5.613 ======================= Grid point 128 (44/132) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -23.544 0.000 -3.928) 23.869 1.770 ( -26.987 0.000 -2.703) 27.122 2.186 ( -16.762 0.000 -0.457) 16.768 2.487 ( -12.368 0.000 7.303) 14.364 2.525 ( -9.153 0.000 -17.808) 20.023 2.745 ( -1.844 0.000 16.920) 17.020 2.824 ( -17.915 0.000 11.254) 21.156 3.479 ( 0.969 0.000 -4.913) 5.008 3.692 ( 0.260 0.000 6.062) 6.068 3.786 ( 11.221 0.000 -3.615) 11.789 3.798 ( 4.108 0.000 1.134) 4.262 4.067 ( -1.021 0.000 -6.883) 6.959 4.168 ( 2.413 0.000 2.184) 3.255 4.529 ( -2.383 0.000 -5.227) 5.745 4.619 ( 3.415 0.000 -3.161) 4.653 4.912 ( 6.793 0.000 -1.245) 6.906 5.011 ( 11.381 0.000 -1.144) 11.438 5.273 ( 4.382 0.000 -0.003) 4.382 5.487 ( -8.555 0.000 -3.811) 9.366 5.778 ( 0.349 0.000 -13.064) 13.068 5.802 ( -1.639 0.000 10.329) 10.458 6.048 ( -3.220 0.000 -4.948) 5.904 6.088 ( -11.848 0.000 8.376) 14.510 6.417 ( -0.469 0.000 11.399) 11.409 6.637 ( 0.540 0.000 1.951) 2.025 6.709 ( -5.730 0.000 3.632) 6.784 6.908 ( 5.428 0.000 -4.102) 6.804 6.953 ( 3.908 0.000 2.431) 4.603 7.073 ( 0.036 0.000 -3.971) 3.971 7.271 ( -4.746 0.000 -2.447) 5.340 7.444 ( 2.388 0.000 4.295) 4.914 7.713 ( -0.628 0.000 1.247) 1.396 7.818 ( -4.408 0.000 0.448) 4.431 7.931 ( 2.223 0.000 1.484) 2.673 8.386 ( 13.826 0.000 -7.430) 15.696 8.494 ( -9.699 0.000 12.928) 16.161 8.660 ( 6.503 0.000 -1.293) 6.631 8.767 ( -3.706 0.000 -17.150) 17.546 8.942 ( 4.075 0.000 6.108) 7.343 8.991 ( -4.183 0.000 -5.097) 6.594 9.396 ( 1.859 0.000 -4.295) 4.680 9.469 ( 3.374 0.000 4.251) 5.428 10.009 ( -3.441 0.000 4.520) 5.681 10.244 ( -5.972 0.000 -2.057) 6.316 11.002 ( 3.996 0.000 0.251) 4.004 11.027 ( -0.325 0.000 7.667) 7.674 11.444 ( 1.214 0.000 -10.263) 10.335 11.509 ( -0.673 0.000 5.367) 5.409 11.968 ( -12.024 0.000 0.602) 12.039 12.177 ( 5.510 0.000 19.912) 20.660 12.210 ( 1.421 0.000 -9.661) 9.765 12.464 ( 3.631 0.000 -12.060) 12.595 13.884 ( -0.070 0.000 1.274) 1.276 13.921 ( -5.329 0.000 0.115) 5.330 13.954 ( -4.015 0.000 -1.510) 4.290 14.630 ( -1.661 0.000 -8.929) 9.082 15.111 ( 0.575 0.000 12.414) 12.428 15.706 ( -3.304 0.000 9.179) 9.756 15.887 ( 1.690 0.000 -5.520) 5.773 16.483 ( 17.735 0.000 -6.390) 18.851 17.271 ( 0.072 0.000 -3.883) 3.884 18.160 ( 16.590 0.000 7.663) 18.275 18.787 ( 5.553 0.000 9.120) 10.677 19.277 ( 6.434 0.000 -18.790) 19.861 19.774 ( -7.021 0.000 -0.832) 7.070 19.925 ( -3.350 0.000 7.348) 8.076 21.089 ( -6.574 0.000 4.115) 7.755 21.438 ( 0.057 0.000 -2.296) 2.296 21.485 ( 2.839 0.000 -4.638) 5.438 21.833 ( 6.615 0.000 1.526) 6.789 22.303 ( -4.221 0.000 8.553) 9.538 22.851 ( -0.492 0.000 -4.306) 4.334 ======================= Grid point 129 (45/132) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -20.411 0.000 -1.137) 20.443 1.149 ( -29.853 0.000 -5.734) 30.399 1.844 ( -27.083 0.000 27.804) 38.814 2.210 ( -12.676 0.000 -12.176) 17.577 2.212 ( -9.330 0.000 -23.761) 25.527 2.600 ( -11.744 0.000 22.673) 25.534 2.812 ( -1.997 0.000 19.399) 19.501 3.467 ( 1.292 0.000 -8.386) 8.485 3.674 ( -3.410 0.000 1.428) 3.696 3.893 ( 2.651 0.000 1.519) 3.055 3.926 ( 2.088 0.000 2.419) 3.196 4.133 ( 9.528 0.000 -3.020) 9.995 4.185 ( 2.938 0.000 -21.015) 21.220 4.427 ( -1.857 0.000 -3.447) 3.915 4.715 ( 8.179 0.000 -2.770) 8.635 5.047 ( 5.572 0.000 -0.221) 5.576 5.193 ( 4.692 0.000 0.813) 4.762 5.260 ( -0.437 0.000 -3.214) 3.244 5.406 ( -1.990 0.000 1.637) 2.577 5.708 ( -9.237 0.000 5.911) 10.967 5.788 ( 4.763 0.000 -7.852) 9.183 5.872 ( -12.330 0.000 4.361) 13.079 5.942 ( -2.932 0.000 -6.115) 6.781 6.467 ( -0.597 0.000 8.201) 8.222 6.607 ( -4.648 0.000 1.678) 4.942 6.659 ( 1.527 0.000 1.295) 2.002 6.898 ( -3.584 0.000 -4.783) 5.976 7.015 ( -0.322 0.000 4.881) 4.892 7.187 ( 8.069 0.000 6.375) 10.283 7.280 ( 6.240 0.000 -2.408) 6.688 7.490 ( -0.616 0.000 8.094) 8.117 7.711 ( -1.102 0.000 0.390) 1.169 7.731 ( -3.108 0.000 -1.013) 3.268 8.012 ( 5.481 0.000 0.726) 5.529 8.332 ( -12.435 0.000 12.135) 17.375 8.481 ( 3.301 0.000 -19.988) 20.258 8.633 ( -5.157 0.000 -1.838) 5.475 8.641 ( -1.722 0.000 -8.077) 8.258 9.007 ( 6.305 0.000 3.396) 7.161 9.160 ( 10.652 0.000 5.887) 12.171 9.416 ( 1.772 0.000 -2.780) 3.297 9.530 ( 1.203 0.000 3.575) 3.772 9.998 ( -0.980 0.000 5.476) 5.563 10.029 ( -13.089 0.000 -6.041) 14.415 11.069 ( 1.764 0.000 0.894) 1.978 11.119 ( 4.757 0.000 7.767) 9.108 11.382 ( -1.626 0.000 -10.048) 10.179 11.529 ( -0.502 0.000 6.098) 6.119 11.731 ( -9.748 0.000 -2.318) 10.020 12.201 ( 2.932 0.000 -8.442) 8.937 12.424 ( 8.132 0.000 5.844) 10.014 12.473 ( 4.222 0.000 1.743) 4.568 13.769 ( -7.350 0.000 -0.730) 7.386 13.852 ( -5.410 0.000 -0.477) 5.431 13.939 ( 2.302 0.000 1.921) 2.998 14.551 ( -0.567 0.000 -10.033) 10.049 15.247 ( 4.745 0.000 17.718) 18.342 15.653 ( -6.586 0.000 7.932) 10.310 15.921 ( 5.008 0.000 -7.578) 9.083 16.810 ( 14.717 0.000 0.915) 14.745 17.280 ( 7.658 0.000 -14.698) 16.573 18.588 ( 20.820 0.000 11.026) 23.560 18.929 ( 4.517 0.000 4.671) 6.498 19.319 ( 6.961 0.000 -14.606) 16.180 19.612 ( -9.248 0.000 1.385) 9.351 19.888 ( -4.260 0.000 8.039) 9.098 20.990 ( -6.358 0.000 6.487) 9.083 21.359 ( -1.789 0.000 -22.529) 22.600 21.573 ( 3.787 0.000 10.684) 11.335 21.948 ( 4.136 0.000 1.154) 4.294 22.264 ( -3.800 0.000 7.411) 8.328 22.791 ( -3.297 0.000 -3.736) 4.982 ======================= Grid point 130 (46/132) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -11.095 0.000 15.058) 18.704 0.666 ( -18.083 0.000 19.007) 26.235 1.432 ( -31.777 0.000 45.783) 55.730 1.943 ( -4.066 0.000 -20.307) 20.710 1.947 ( -2.682 0.000 -26.903) 27.036 2.594 ( -2.013 0.000 24.463) 24.545 2.856 ( -3.786 0.000 17.045) 17.461 3.450 ( 2.841 0.000 -11.674) 12.015 3.608 ( -2.703 0.000 -1.837) 3.268 3.882 ( -2.609 0.000 -14.160) 14.399 3.922 ( -0.874 0.000 3.687) 3.789 4.075 ( -1.703 0.000 -14.087) 14.190 4.328 ( 10.257 0.000 -4.734) 11.297 4.457 ( 5.419 0.000 -7.365) 9.144 4.885 ( 8.130 0.000 -2.961) 8.652 5.095 ( 1.192 0.000 -2.792) 3.036 5.117 ( -10.826 0.000 3.260) 11.306 5.291 ( -1.042 0.000 -0.179) 1.057 5.381 ( 2.116 0.000 3.145) 3.790 5.607 ( -8.698 0.000 5.027) 10.046 5.688 ( -2.690 0.000 0.403) 2.720 5.820 ( 3.413 0.000 -10.957) 11.477 5.935 ( 3.420 0.000 3.665) 5.013 6.471 ( -2.043 0.000 2.524) 3.247 6.561 ( -1.817 0.000 3.749) 4.166 6.701 ( 1.171 0.000 -1.764) 2.117 6.830 ( 0.081 0.000 4.872) 4.873 7.015 ( -2.374 0.000 6.557) 6.974 7.336 ( 3.048 0.000 5.292) 6.108 7.417 ( 8.119 0.000 -5.519) 9.817 7.523 ( -1.173 0.000 11.603) 11.662 7.656 ( -3.519 0.000 -2.124) 4.110 7.686 ( -0.696 0.000 -3.772) 3.836 8.134 ( 4.522 0.000 -1.188) 4.676 8.164 ( -9.845 0.000 9.145) 13.437 8.394 ( -0.374 0.000 -19.719) 19.723 8.523 ( -4.539 0.000 2.694) 5.278 8.687 ( 10.690 0.000 7.357) 12.977 9.173 ( 6.871 0.000 1.539) 7.041 9.339 ( 4.554 0.000 2.564) 5.226 9.425 ( 0.124 0.000 -2.372) 2.375 9.573 ( 1.320 0.000 2.090) 2.472 9.695 ( -15.362 0.000 -3.580) 15.774 9.979 ( -5.003 0.000 4.398) 6.661 11.077 ( -1.416 0.000 2.311) 2.710 11.269 ( 4.792 0.000 1.897) 5.154 11.294 ( -0.174 0.000 -4.846) 4.849 11.466 ( -8.319 0.000 5.810) 10.147 11.680 ( 4.239 0.000 -0.036) 4.240 12.266 ( 8.759 0.000 -6.633) 10.987 12.422 ( 2.095 0.000 -16.409) 16.543 12.761 ( 9.513 0.000 13.814) 16.772 13.638 ( -5.254 0.000 0.687) 5.299 13.747 ( -4.322 0.000 -1.157) 4.475 13.989 ( 1.471 0.000 1.813) 2.335 14.485 ( -0.487 0.000 -18.025) 18.032 15.488 ( -3.449 0.000 24.735) 24.974 15.591 ( 9.664 0.000 15.558) 18.315 15.990 ( 6.167 0.000 -9.504) 11.329 16.904 ( -7.390 0.000 5.761) 9.370 17.586 ( 34.118 0.000 -23.997) 41.713 18.992 ( -1.087 0.000 3.502) 3.667 19.006 ( 12.655 0.000 1.833) 12.787 19.417 ( 9.927 0.000 -9.478) 13.725 19.441 ( -9.005 0.000 4.663) 10.141 19.769 ( -17.866 0.000 -15.839) 23.876 20.899 ( -6.503 0.000 6.547) 9.228 21.060 ( -12.841 0.000 -25.246) 28.324 21.776 ( 10.727 0.000 14.433) 17.983 22.008 ( 1.459 0.000 0.881) 1.704 22.248 ( -1.579 0.000 8.557) 8.701 22.692 ( -4.029 0.000 -3.722) 5.485 ======================= Grid point 131 (47/132) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -2.110 11.900 18.976) 22.498 0.815 ( -5.497 17.632 19.932) 27.173 1.531 ( -0.756 19.109 39.622) 43.996 1.726 ( 0.305 1.218 -16.400) 16.448 1.915 ( 1.888 7.355 -20.651) 22.002 2.707 ( 0.259 -0.581 19.948) 19.958 2.923 ( -3.538 6.794 11.049) 13.445 3.466 ( 1.961 0.257 -13.292) 13.438 3.548 ( -0.039 -0.454 -5.785) 5.803 3.739 ( 3.292 -1.194 -23.233) 23.496 3.915 ( -0.834 0.099 -2.025) 2.192 3.996 ( -3.395 0.221 4.339) 5.513 4.379 ( -1.458 -2.165 -4.491) 5.195 4.476 ( 5.005 -3.530 -7.517) 9.696 4.884 ( -2.700 1.976 5.880) 6.765 5.054 ( 3.461 -4.391 -3.323) 6.504 5.164 ( 5.398 3.588 -4.242) 7.746 5.185 ( -2.769 -2.849 -8.502) 9.384 5.392 ( -8.617 -1.463 3.404) 9.380 5.463 ( 2.519 -1.762 4.957) 5.833 5.679 ( 4.263 -4.805 -3.244) 7.196 5.776 ( -2.197 -2.573 -5.955) 6.849 6.076 ( 4.621 -0.017 10.896) 11.835 6.447 ( -5.537 4.366 -5.814) 9.138 6.590 ( -2.452 1.117 2.498) 3.674 6.733 ( 1.678 1.751 -2.201) 3.275 6.911 ( 2.241 1.025 8.877) 9.212 7.087 ( -2.059 4.749 3.587) 6.297 7.311 ( -0.037 -1.946 1.592) 2.515 7.528 ( -4.120 -0.542 8.401) 9.372 7.553 ( -1.333 4.665 -1.561) 5.096 7.634 ( 2.249 2.131 -3.907) 4.986 7.809 ( 1.991 10.458 -4.953) 11.742 7.932 ( -4.578 -7.312 -0.109) 8.628 8.156 ( 2.829 -1.104 0.499) 3.078 8.392 ( 0.657 7.569 -8.732) 11.575 8.528 ( 0.306 0.895 6.826) 6.892 8.852 ( -4.737 -3.011 -5.464) 7.833 9.123 ( 9.389 -21.026 13.948) 26.922 9.273 ( -0.679 -8.983 2.450) 9.336 9.477 ( -3.040 5.040 3.207) 6.703 9.549 ( 4.588 2.038 5.607) 7.526 9.755 ( 7.917 3.367 0.205) 8.606 9.839 ( -5.559 -2.423 -1.176) 6.177 10.826 ( -8.231 -7.165 11.370) 15.759 11.146 ( -0.689 -4.871 -3.998) 6.339 11.402 ( -2.705 0.891 3.104) 4.212 11.475 ( 4.416 2.344 1.551) 5.235 11.762 ( -0.663 0.664 6.901) 6.964 12.020 ( -11.533 -5.842 0.212) 12.930 12.554 ( 6.631 5.975 -2.012) 9.150 12.585 ( -2.743 2.825 -4.431) 5.928 13.804 ( -0.696 10.205 1.004) 10.278 14.004 ( 1.178 1.124 1.090) 1.959 14.085 ( 6.647 13.177 -13.376) 19.918 14.430 ( -12.995 19.735 -23.687) 33.458 15.411 ( -9.980 2.146 17.164) 19.970 15.979 ( 11.084 -6.086 -3.766) 13.194 16.308 ( 11.806 -7.118 14.398) 19.933 16.714 ( 8.559 2.016 -6.494) 10.932 17.689 ( -75.439 -11.645 7.336) 76.684 18.128 ( 30.689 -12.392 -12.025) 35.214 18.870 ( -8.487 -3.600 9.153) 12.991 19.086 ( -6.862 -1.640 -3.127) 7.717 19.355 ( -1.234 1.903 1.473) 2.705 19.556 ( 4.685 0.326 -4.726) 6.663 20.348 ( 14.156 -16.823 31.146) 38.124 21.218 ( -1.987 -1.975 -17.786) 18.005 22.015 ( -7.366 0.022 0.167) 7.368 22.062 ( 9.548 0.104 -1.609) 9.683 22.355 ( -0.534 4.066 6.605) 7.775 22.623 ( -0.445 0.177 -4.169) 4.196 ======================= Grid point 132 (48/132) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 5.565 15.969 14.022) 21.968 1.007 ( 10.663 8.569 16.447) 21.392 1.651 ( 7.720 7.591 -15.109) 18.587 1.872 ( 7.198 6.152 -21.887) 23.847 2.008 ( 14.800 15.718 42.092) 47.306 2.810 ( 2.187 -0.690 12.400) 12.610 2.960 ( 1.658 6.458 10.297) 12.267 3.418 ( 0.947 -1.033 -14.304) 14.372 3.527 ( 0.804 -1.187 -5.045) 5.244 3.747 ( 10.730 0.933 -24.825) 27.060 3.880 ( -2.734 -0.646 0.868) 2.940 3.953 ( -3.806 0.441 5.720) 6.885 4.295 ( -4.826 -6.551 -5.543) 9.846 4.469 ( -1.019 2.281 -5.889) 6.397 4.957 ( 5.813 -0.574 3.936) 7.043 4.986 ( -5.797 -5.646 -4.929) 9.475 5.153 ( 0.878 -2.395 -0.796) 2.672 5.238 ( -6.713 0.095 2.825) 7.284 5.317 ( 10.288 3.846 -3.254) 11.456 5.479 ( -3.351 -2.633 0.762) 4.329 5.661 ( -0.479 -0.802 -2.850) 2.999 5.814 ( 4.997 -7.518 -3.334) 9.623 6.156 ( -3.010 2.157 4.859) 6.109 6.355 ( 0.423 2.439 0.638) 2.556 6.571 ( -0.019 2.783 2.474) 3.724 6.743 ( 0.034 0.644 -0.734) 0.977 6.954 ( 0.608 1.275 5.661) 5.834 7.085 ( 0.443 1.153 3.318) 3.540 7.334 ( 0.337 2.810 7.083) 7.628 7.453 ( -6.272 6.455 -0.961) 9.051 7.491 ( -3.330 -2.011 6.188) 7.309 7.686 ( 2.502 2.363 0.071) 3.442 7.773 ( -2.347 7.635 -5.847) 9.899 7.908 ( 1.621 -4.973 -3.404) 6.240 8.126 ( -5.178 1.135 0.232) 5.306 8.495 ( 10.940 0.322 -4.799) 11.951 8.637 ( 4.059 -3.116 6.826) 8.531 8.809 ( 4.718 0.061 -2.222) 5.215 9.075 ( -10.571 -8.660 -2.917) 13.973 9.291 ( -2.235 -12.856 1.867) 13.182 9.410 ( -6.208 3.064 3.734) 7.866 9.567 ( -0.584 4.141 0.196) 4.187 9.694 ( 1.948 -4.163 -0.944) 4.692 10.246 ( 18.426 -8.146 -1.457) 20.199 10.766 ( -3.598 1.226 12.373) 12.944 11.147 ( 2.721 -7.288 -5.156) 9.333 11.346 ( -6.029 6.488 3.843) 9.655 11.558 ( -0.119 3.896 -0.005) 3.897 11.644 ( -10.087 6.705 4.781) 13.022 11.835 ( 1.797 1.253 3.241) 3.912 12.536 ( 1.522 3.426 -9.154) 9.892 12.705 ( 4.523 0.204 1.942) 4.927 13.820 ( 1.912 10.176 -0.190) 10.356 13.979 ( -5.439 12.384 0.367) 13.530 14.032 ( -1.057 13.522 -5.982) 14.824 14.189 ( 0.024 1.846 -6.628) 6.880 15.358 ( -5.467 -0.369 16.316) 17.211 16.019 ( -2.768 -1.140 -6.395) 7.061 16.241 ( -9.145 -10.463 8.467) 16.273 16.629 ( -26.626 6.185 9.652) 28.989 17.325 ( 29.562 -1.893 -27.520) 40.433 18.389 ( -10.738 -16.184 16.257) 25.329 18.886 ( 0.137 -3.472 1.407) 3.749 19.101 ( 10.912 -1.114 3.671) 11.567 19.350 ( 5.032 1.408 -1.409) 5.412 19.615 ( 3.666 0.020 -2.790) 4.607 20.720 ( 9.147 -4.826 14.327) 17.670 21.104 ( 1.467 -8.713 -17.207) 19.343 21.845 ( -7.714 -5.722 1.582) 9.734 22.163 ( 0.232 3.933 -0.796) 4.020 22.362 ( -1.682 0.714 7.493) 7.713 22.641 ( 3.869 0.904 -4.604) 6.082 ======================= Grid point 133 (49/132) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 21.703 14.845 2.251) 26.390 1.328 ( 13.274 3.816 12.331) 18.515 1.766 ( 9.974 5.320 -12.349) 16.742 1.935 ( 12.139 8.654 -16.097) 21.940 2.606 ( 20.868 9.985 36.277) 43.026 2.949 ( 5.527 -1.362 8.492) 10.223 3.078 ( 5.233 4.675 7.603) 10.346 3.352 ( -0.491 -0.804 -12.946) 12.980 3.525 ( 1.101 -1.394 -2.836) 3.347 3.777 ( -5.858 -2.147 -1.668) 6.458 3.865 ( 2.692 3.081 -3.034) 5.094 3.949 ( 9.251 -0.296 -12.748) 15.754 4.165 ( -4.922 -6.419 -4.315) 9.167 4.400 ( -2.672 5.400 -1.353) 6.175 4.845 ( -5.419 -5.987 -4.216) 9.110 5.033 ( -2.332 0.211 -2.340) 3.310 5.085 ( -8.073 -3.553 5.268) 10.273 5.168 ( -2.717 -0.970 -0.098) 2.887 5.397 ( 3.423 1.880 -6.520) 7.600 5.568 ( 9.772 -1.217 5.848) 11.453 5.687 ( 1.337 0.040 -1.575) 2.067 5.834 ( 1.243 -9.648 -5.415) 11.133 6.138 ( 4.085 8.870 -2.668) 10.123 6.407 ( 0.576 -2.248 10.891) 11.135 6.623 ( 2.834 2.795 1.100) 4.129 6.734 ( -0.255 2.264 -0.051) 2.278 6.975 ( -1.703 -2.335 -0.295) 2.905 7.136 ( 2.708 -1.518 2.751) 4.148 7.305 ( -7.562 6.548 -1.308) 10.088 7.401 ( 0.296 7.152 6.043) 9.368 7.483 ( -1.089 -1.699 12.484) 12.646 7.681 ( -2.856 -0.695 -5.565) 6.293 7.724 ( 1.981 3.289 -0.092) 3.841 7.883 ( -3.559 -2.509 -2.379) 4.961 8.068 ( 1.435 1.406 -3.411) 3.959 8.593 ( -2.693 -4.397 -3.825) 6.420 8.721 ( 3.601 -4.903 1.380) 6.238 8.792 ( -5.677 -0.430 -3.085) 6.476 9.034 ( 7.349 2.258 -1.049) 7.759 9.214 ( -4.126 -4.079 0.963) 5.881 9.319 ( -3.085 -3.889 -0.783) 5.026 9.592 ( 1.796 1.658 2.887) 3.783 9.777 ( 6.070 -1.722 0.564) 6.335 10.369 ( -1.880 4.511 -1.762) 5.195 10.815 ( 2.232 4.721 7.669) 9.278 11.167 ( 1.365 -1.596 -4.684) 5.133 11.234 ( -4.353 2.734 1.907) 5.482 11.476 ( -1.140 1.469 -3.236) 3.732 11.699 ( 3.467 -3.696 6.694) 8.396 11.927 ( 4.027 2.523 3.777) 6.070 12.519 ( 1.116 1.160 -8.033) 8.193 12.720 ( -2.462 -1.192 -0.755) 2.838 13.880 ( 4.625 5.376 -1.144) 7.183 13.950 ( 0.929 11.105 -0.288) 11.147 14.023 ( -0.901 1.879 7.991) 8.258 14.169 ( 2.714 0.498 -11.775) 12.094 15.347 ( -4.495 -0.997 15.435) 16.107 15.852 ( -8.288 -2.472 -6.790) 10.996 16.128 ( -10.543 -2.507 13.375) 17.215 16.340 ( -4.253 0.112 -9.884) 10.760 17.575 ( 9.874 -3.240 -22.237) 24.545 18.173 ( -18.278 -13.093 21.832) 31.339 18.765 ( -9.600 -1.013 0.635) 9.674 19.225 ( 4.097 2.873 -5.010) 7.082 19.635 ( 12.684 -5.025 5.582) 14.741 19.683 ( 5.298 0.683 -0.342) 5.353 20.900 ( 6.345 4.448 4.238) 8.831 21.113 ( 5.529 -13.888 -9.460) 17.690 21.729 ( -5.146 -6.350 0.521) 8.190 22.085 ( -7.034 4.320 0.256) 8.259 22.381 ( -0.942 -1.858 8.308) 8.565 22.696 ( 3.783 0.358 -5.038) 6.310 ======================= Grid point 134 (50/132) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 23.768 12.297 -1.019) 26.780 1.653 ( 14.264 4.379 6.549) 16.295 1.940 ( 13.671 -0.906 -5.521) 14.771 2.165 ( 14.829 6.655 -4.555) 16.880 3.000 ( 3.087 2.718 4.953) 6.438 3.135 ( -1.889 -4.058 7.624) 8.841 3.245 ( 5.907 1.510 20.936) 21.806 3.291 ( 8.315 2.875 -17.893) 19.939 3.575 ( 5.646 0.233 6.162) 8.361 3.631 ( -5.414 -4.937 -1.632) 7.507 3.851 ( -0.986 5.989 2.528) 6.575 4.032 ( -6.671 -2.192 -4.266) 8.216 4.163 ( 17.328 0.854 -17.224) 24.447 4.409 ( 3.462 4.548 3.337) 6.618 4.741 ( -2.731 -6.365 -2.911) 7.513 4.832 ( -12.390 -4.860 -3.570) 13.780 4.981 ( -5.778 2.460 2.848) 6.896 5.051 ( -9.117 2.210 -0.732) 9.410 5.468 ( 1.971 -0.119 -1.884) 2.729 5.601 ( -2.134 1.704 -6.400) 6.958 5.760 ( 5.066 -1.572 8.950) 10.404 5.965 ( 11.696 -6.336 -3.682) 13.802 6.268 ( 8.167 5.299 -1.384) 9.834 6.501 ( 1.713 -4.789 13.056) 14.012 6.641 ( -0.092 0.597 -1.336) 1.467 6.758 ( 0.515 2.150 4.191) 4.738 6.891 ( -3.620 3.102 -3.274) 5.783 7.139 ( -6.636 -0.628 -0.804) 6.714 7.181 ( -2.310 1.350 0.939) 2.836 7.357 ( -3.329 6.179 -1.248) 7.129 7.564 ( -0.000 -2.044 11.454) 11.634 7.613 ( -1.542 -0.829 -6.019) 6.268 7.784 ( -2.089 -1.244 0.532) 2.489 7.834 ( 6.943 2.497 0.540) 7.398 8.094 ( 2.345 -1.207 -5.202) 5.832 8.413 ( -9.791 -4.535 -1.889) 10.954 8.703 ( -3.709 8.490 3.355) 9.854 8.791 ( 0.899 -8.753 0.650) 8.823 9.062 ( -2.023 -5.036 -2.984) 6.193 9.189 ( 1.225 2.154 -3.763) 4.506 9.325 ( 4.515 2.837 -4.377) 6.899 9.648 ( 1.722 1.680 1.319) 2.744 9.924 ( 6.976 -1.945 3.533) 8.058 10.284 ( -4.102 10.346 -0.422) 11.138 10.918 ( 4.660 2.082 4.137) 6.571 11.115 ( -5.073 4.969 3.251) 7.810 11.239 ( 4.025 -7.001 -4.548) 9.268 11.451 ( -0.712 1.006 -1.062) 1.628 11.795 ( 2.077 -5.352 6.789) 8.891 12.003 ( 1.664 3.629 3.739) 5.470 12.489 ( -0.258 -1.329 -6.472) 6.612 12.643 ( -3.000 -0.805 -4.626) 5.572 13.937 ( -1.276 1.449 1.935) 2.733 13.979 ( 4.110 0.841 -1.165) 4.354 14.066 ( -0.945 -0.411 8.192) 8.257 14.205 ( 8.883 1.571 -14.137) 16.770 15.343 ( -4.522 -1.276 15.568) 16.261 15.683 ( -3.359 -4.058 -8.769) 10.230 15.965 ( -12.161 -1.452 11.913) 17.086 16.251 ( -0.674 -3.144 -11.472) 11.914 17.571 ( 1.648 -3.230 -13.300) 13.786 17.916 ( -18.200 -8.144 16.374) 25.801 18.593 ( -7.506 2.591 3.272) 8.588 19.273 ( 5.226 0.162 -12.470) 13.521 19.746 ( 3.263 0.016 2.383) 4.040 19.861 ( 5.294 -2.607 4.140) 7.209 21.066 ( 7.848 1.642 3.891) 8.912 21.177 ( 4.502 -9.353 -4.793) 11.434 21.631 ( -4.658 -4.817 -1.348) 6.835 21.918 ( -9.145 2.018 -0.149) 9.366 22.400 ( -2.501 -1.737 10.446) 10.881 22.734 ( 3.349 -1.440 -6.407) 7.372 ======================= Grid point 135 (51/132) ======================= q-point: ( 0.40 0.10 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 16.298 6.591 -0.175) 17.581 1.978 ( 13.524 5.654 9.530) 17.484 2.218 ( 14.177 -1.351 0.835) 14.266 2.429 ( 12.503 2.121 -0.577) 12.695 2.885 ( -15.551 -4.150 -2.112) 16.233 3.045 ( -0.590 0.628 -0.251) 0.897 3.287 ( -0.681 -3.151 -6.472) 7.230 3.382 ( -0.635 0.839 -7.198) 7.274 3.502 ( -3.204 -0.921 -0.007) 3.334 3.864 ( -4.860 1.625 -0.181) 5.127 3.897 ( 7.294 -2.366 8.064) 11.128 3.989 ( 15.673 7.356 7.714) 18.954 4.375 ( 7.896 1.505 -8.471) 11.678 4.491 ( -1.153 1.744 -0.287) 2.110 4.626 ( -0.005 -3.619 -3.624) 5.122 4.726 ( 2.353 -4.016 -1.156) 4.796 4.774 ( -15.789 3.964 2.142) 16.419 4.893 ( -6.340 2.982 -0.860) 7.059 5.416 ( -3.248 -0.001 4.197) 5.307 5.658 ( 8.409 4.702 -3.017) 10.096 5.891 ( 3.866 -0.213 7.359) 8.315 6.130 ( 3.708 -6.836 -1.592) 7.939 6.353 ( -0.366 3.412 -1.697) 3.828 6.503 ( -6.207 -6.791 -0.921) 9.247 6.676 ( 3.375 -1.408 0.308) 3.669 6.780 ( 1.720 -0.225 8.297) 8.476 6.885 ( -0.444 1.973 -0.650) 2.124 7.007 ( -1.978 3.077 -1.132) 3.830 7.141 ( 0.491 2.042 -1.196) 2.417 7.292 ( -4.934 0.133 1.083) 5.053 7.514 ( -2.259 4.687 -6.635) 8.431 7.619 ( -1.235 2.391 10.704) 11.037 7.761 ( 0.973 -2.750 -1.682) 3.367 8.014 ( 9.311 1.668 -1.604) 9.595 8.085 ( -1.200 -8.277 -1.524) 8.501 8.228 ( -8.859 -3.258 -2.051) 9.660 8.670 ( -1.960 12.133 3.900) 12.894 8.787 ( 0.339 -6.497 2.578) 6.998 9.022 ( -0.820 -8.387 -0.965) 8.482 9.188 ( 0.868 2.280 -5.938) 6.420 9.388 ( 4.393 7.363 -7.128) 11.150 9.646 ( -1.192 3.831 -3.969) 5.644 10.075 ( 5.850 -0.277 4.687) 7.501 10.226 ( -3.090 7.611 4.200) 9.226 11.001 ( -0.275 1.409 -1.206) 1.875 11.065 ( 2.040 0.326 0.054) 2.067 11.297 ( 2.107 -4.790 1.908) 5.570 11.437 ( -0.724 2.639 2.412) 3.648 11.844 ( -1.295 -5.243 9.494) 10.923 12.055 ( 2.774 2.696 0.548) 3.907 12.437 ( -1.957 -3.593 -5.287) 6.686 12.565 ( -1.405 1.022 -7.930) 8.118 13.923 ( -0.806 -3.082 1.698) 3.610 14.028 ( 1.542 -0.057 -3.799) 4.100 14.053 ( -4.099 -3.620 8.528) 10.131 14.353 ( 12.740 -0.565 -14.274) 19.141 15.324 ( -6.392 -2.092 15.824) 17.194 15.638 ( 0.544 -6.837 -2.308) 7.236 15.809 ( -5.414 -0.454 2.848) 6.134 16.163 ( -2.906 -3.671 -8.076) 9.335 17.551 ( 1.694 -3.802 -5.405) 6.822 17.647 ( -13.855 -3.734 6.508) 15.756 18.521 ( -3.180 4.583 8.528) 10.190 19.290 ( 4.881 -1.198 -17.836) 18.531 19.822 ( 2.416 -0.311 4.348) 4.984 19.936 ( 1.136 -1.888 1.975) 2.959 21.218 ( 4.821 -2.698 0.584) 5.555 21.249 ( 4.450 -3.072 1.641) 5.651 21.532 ( -4.102 -3.491 -2.097) 5.781 21.744 ( -7.325 -0.600 -1.694) 7.543 22.391 ( -4.481 -0.730 12.067) 12.893 22.766 ( 3.624 -3.117 -7.072) 8.536 ======================= Grid point 136 (52/132) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -6.193 4.198 7.542) 10.623 2.179 ( 0.488 3.074 11.662) 12.070 2.460 ( 8.286 -0.733 -3.823) 9.155 2.615 ( 5.124 -2.119 -0.053) 5.545 2.665 ( 1.686 -1.863 3.008) 3.919 2.987 ( -4.292 0.515 -5.100) 6.686 3.110 ( -13.670 -1.183 -8.559) 16.172 3.349 ( 8.336 -3.288 -13.511) 16.213 3.544 ( 3.963 2.238 4.401) 6.331 3.730 ( -5.586 2.797 -2.934) 6.902 4.062 ( 1.861 -0.180 7.729) 7.951 4.241 ( -7.431 1.920 1.224) 7.772 4.332 ( 4.722 4.008 -0.660) 6.229 4.453 ( -11.641 8.714 3.872) 15.048 4.489 ( 1.493 -3.823 -5.680) 7.008 4.730 ( 2.592 -0.741 4.726) 5.441 4.759 ( 1.688 -0.069 -4.361) 4.677 4.890 ( 10.502 -1.164 -3.619) 11.169 5.458 ( 3.799 0.823 10.718) 11.401 5.881 ( 11.804 3.773 6.389) 13.942 5.955 ( -4.019 -1.679 0.099) 4.357 6.049 ( -6.118 -0.204 4.650) 7.688 6.276 ( -10.761 -4.061 -13.702) 17.889 6.337 ( 1.274 -1.541 -4.304) 4.746 6.746 ( 1.257 -0.850 0.540) 1.611 6.798 ( -3.735 -2.705 -0.282) 4.620 6.871 ( 1.831 -0.458 6.404) 6.677 7.027 ( -2.366 3.865 1.864) 4.900 7.133 ( -6.372 -2.152 -1.067) 6.810 7.245 ( 7.369 5.155 0.365) 9.000 7.526 ( 1.571 2.031 3.128) 4.047 7.660 ( 2.717 6.956 8.235) 11.117 7.795 ( 3.687 -3.707 -3.774) 6.449 7.993 ( -11.661 -2.529 -6.873) 13.770 8.052 ( -1.030 -9.851 -0.469) 9.916 8.187 ( 9.496 -0.254 -2.390) 9.795 8.662 ( -1.130 11.082 5.010) 12.214 8.849 ( 1.085 -5.336 6.185) 8.241 9.012 ( 0.883 -7.777 -0.943) 7.883 9.138 ( -1.656 2.383 -11.188) 11.558 9.427 ( 3.138 8.214 -3.510) 9.468 9.572 ( -3.284 6.042 -6.393) 9.389 10.144 ( -4.085 1.372 5.304) 6.833 10.242 ( 4.225 3.838 4.369) 7.189 10.952 ( -2.609 2.530 0.057) 3.634 11.112 ( 2.661 -2.585 -6.785) 7.733 11.349 ( 1.160 -0.677 5.914) 6.065 11.458 ( 1.095 1.030 4.106) 4.372 11.873 ( -1.744 -4.616 14.245) 15.075 12.114 ( 3.417 1.196 -2.536) 4.421 12.344 ( -4.673 -5.824 -5.290) 9.151 12.508 ( 0.853 2.961 -10.153) 10.611 13.907 ( -2.459 -3.548 0.944) 4.419 13.989 ( -1.770 -3.462 2.705) 4.736 14.052 ( -0.115 -0.882 0.248) 0.923 14.519 ( 11.301 -3.761 -15.258) 19.356 15.237 ( -10.669 -2.324 14.894) 18.468 15.618 ( -3.530 -6.254 11.490) 13.550 15.854 ( 9.176 -1.785 -10.379) 13.968 16.068 ( -1.821 -3.071 -4.448) 5.704 17.424 ( -9.195 -1.695 3.840) 10.108 17.630 ( 6.961 -3.808 -3.753) 8.777 18.545 ( -0.205 3.693 11.341) 11.929 19.285 ( 5.378 -0.293 -20.406) 21.105 19.881 ( 0.581 -1.607 5.442) 5.704 19.939 ( -1.337 -1.157 0.591) 1.864 21.271 ( -2.965 -2.923 1.603) 4.461 21.300 ( 1.305 -2.985 0.884) 3.375 21.505 ( 2.895 -3.337 0.806) 4.490 21.628 ( -1.900 -0.096 -4.741) 5.108 22.359 ( -5.066 -0.673 11.669) 12.739 22.801 ( 3.433 -3.616 -6.247) 7.993 ======================= Grid point 137 (53/132) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -21.936 4.449 -0.164) 22.383 2.132 ( -11.446 1.187 14.329) 18.378 2.543 ( -4.005 -1.141 -4.809) 6.362 2.630 ( -7.410 -1.296 6.855) 10.177 2.711 ( -5.075 2.179 -10.869) 12.191 2.793 ( -5.018 4.913 -0.711) 7.058 2.938 ( 2.890 -4.647 -1.687) 5.726 3.511 ( 10.890 -2.156 -6.640) 12.936 3.619 ( -1.116 3.910 -3.680) 5.484 3.663 ( 3.683 2.437 2.431) 5.041 3.894 ( -19.284 4.050 7.231) 20.989 4.086 ( -2.172 -0.860 5.130) 5.637 4.289 ( -5.127 8.118 -2.917) 10.035 4.490 ( 6.262 0.923 -1.491) 6.503 4.530 ( 4.715 -5.343 -4.167) 8.255 4.737 ( 0.807 -3.367 -2.079) 4.039 4.891 ( 8.837 2.402 -0.086) 9.158 5.095 ( 9.618 -1.665 -0.300) 9.766 5.647 ( 5.769 -0.546 13.287) 14.495 5.724 ( -12.078 -0.399 -0.334) 12.089 5.952 ( -5.624 -0.242 -17.981) 18.842 6.033 ( -3.890 -1.366 3.481) 5.396 6.175 ( 5.406 1.495 9.477) 11.012 6.340 ( 0.715 -3.790 -0.920) 3.965 6.678 ( -2.681 -0.988 -0.474) 2.896 6.815 ( 1.563 -0.079 0.676) 1.705 6.833 ( -8.372 5.058 6.630) 11.816 6.999 ( 2.759 4.247 1.901) 5.410 7.076 ( -0.590 -3.560 -5.019) 6.182 7.385 ( 5.450 4.911 0.657) 7.366 7.466 ( -7.799 1.500 -0.515) 7.959 7.753 ( -5.732 -1.566 -5.183) 7.885 7.796 ( 2.966 -0.734 2.993) 4.277 7.880 ( 1.357 -2.608 4.570) 5.434 8.091 ( 9.095 -5.134 -1.995) 10.633 8.388 ( 11.571 -2.329 -1.636) 11.916 8.659 ( -3.474 7.943 7.950) 11.763 8.839 ( -3.377 -5.800 2.552) 7.180 9.008 ( -3.691 4.365 -14.410) 15.502 9.056 ( 2.928 -4.729 -1.350) 5.723 9.454 ( -4.403 5.609 -6.743) 9.814 9.488 ( 3.116 6.904 1.779) 7.781 10.054 ( -6.764 -0.700 4.636) 8.230 10.342 ( 2.813 4.860 2.032) 5.971 10.912 ( -0.901 -0.915 -0.817) 1.522 11.119 ( 0.511 4.488 1.270) 4.692 11.384 ( 1.104 -3.085 -2.793) 4.305 11.515 ( 1.768 1.076 4.294) 4.766 11.929 ( -2.209 -6.243 18.030) 19.207 12.138 ( -3.118 -1.125 0.017) 3.315 12.221 ( -0.383 -3.317 -8.322) 8.967 12.491 ( 3.272 3.259 -11.691) 12.570 13.858 ( -2.121 -3.070 2.048) 4.256 13.990 ( -0.348 -1.675 0.877) 1.923 14.034 ( -1.360 0.834 -1.345) 2.087 14.612 ( 5.418 -5.092 -13.693) 15.581 15.114 ( -7.574 -0.468 13.272) 15.288 15.645 ( -0.877 -4.809 12.121) 13.070 15.897 ( 0.222 -1.905 -6.472) 6.750 16.156 ( 12.932 -3.810 -6.478) 14.958 17.310 ( -3.548 -0.431 -0.094) 3.575 17.805 ( 11.427 -4.832 1.176) 12.463 18.620 ( 1.581 -0.132 10.143) 10.266 19.297 ( 6.796 2.321 -19.135) 20.438 19.871 ( -4.095 -2.243 0.820) 4.740 19.919 ( -1.553 -1.039 5.081) 5.414 21.134 ( -8.946 -6.626 0.970) 11.175 21.361 ( 2.524 -2.566 3.398) 4.949 21.515 ( -1.065 -0.581 -4.642) 4.798 21.695 ( 8.736 0.301 -1.026) 8.801 22.320 ( -4.626 -1.362 9.694) 10.827 22.829 ( 2.259 -3.060 -4.737) 6.075 ======================= Grid point 138 (54/132) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -20.627 8.519 -0.928) 22.336 1.839 ( -24.192 5.920 3.097) 25.098 2.193 ( -17.049 1.494 -5.445) 17.960 2.470 ( -10.476 -1.090 -16.607) 19.666 2.559 ( -7.865 1.836 8.963) 12.065 2.784 ( -4.557 5.172 17.914) 19.194 2.912 ( -8.953 5.820 4.048) 11.420 3.515 ( -1.935 4.784 -4.147) 6.620 3.661 ( 1.364 -3.803 2.741) 4.883 3.754 ( 4.293 -2.112 -1.108) 4.911 3.801 ( 6.499 0.497 2.008) 6.820 4.039 ( -1.048 -1.607 -2.792) 3.388 4.243 ( 0.456 5.644 -3.367) 6.588 4.487 ( -2.454 -3.392 -4.207) 5.935 4.640 ( 5.532 1.436 -2.040) 6.068 4.790 ( 6.856 -8.426 -2.056) 11.055 5.068 ( 8.428 3.127 -1.019) 9.047 5.230 ( 3.442 -3.602 -0.620) 5.021 5.493 ( -8.114 0.456 -2.192) 8.417 5.762 ( 1.002 -1.030 -1.803) 2.306 5.821 ( -3.644 0.335 -1.199) 3.851 5.931 ( -5.727 -2.700 -1.184) 6.441 6.181 ( -7.800 1.117 4.826) 9.240 6.384 ( 2.368 -2.868 7.162) 8.071 6.666 ( -3.840 4.893 3.847) 7.313 6.766 ( 1.098 1.793 3.188) 3.819 6.857 ( 1.286 -1.115 -0.396) 1.748 7.037 ( 0.169 -1.827 -2.641) 3.216 7.085 ( 4.836 7.740 -0.197) 9.129 7.312 ( -3.381 3.480 -2.040) 5.263 7.461 ( 1.301 1.562 2.830) 3.484 7.690 ( -0.972 -2.147 1.802) 2.966 7.801 ( -2.349 -1.456 0.033) 2.764 7.905 ( 2.068 -2.826 0.245) 3.510 8.301 ( 6.522 -4.132 -0.473) 7.735 8.544 ( 0.966 -3.316 -0.456) 3.484 8.632 ( 1.249 5.425 -0.134) 5.569 8.786 ( -3.365 -4.348 -0.312) 5.507 8.912 ( 3.384 5.114 -5.599) 8.303 9.066 ( -0.750 1.140 -2.391) 2.753 9.367 ( -0.606 0.132 -3.661) 3.713 9.550 ( 1.425 4.750 3.299) 5.956 9.941 ( -6.792 -3.488 3.682) 8.476 10.348 ( -2.535 7.641 -0.946) 8.106 10.921 ( 1.340 -2.585 1.818) 3.433 11.164 ( 2.628 7.688 3.871) 9.000 11.367 ( 0.204 -4.513 -7.282) 8.570 11.552 ( -0.494 1.122 3.466) 3.677 11.903 ( -8.867 -5.781 7.054) 12.720 12.023 ( -4.883 -9.244 4.549) 11.402 12.297 ( 7.734 4.144 0.425) 8.784 12.504 ( 4.550 3.626 -13.413) 14.621 13.858 ( 0.626 -2.628 2.072) 3.405 13.962 ( -2.335 3.236 -0.263) 4.000 13.990 ( -2.385 3.482 -1.098) 4.361 14.591 ( -0.064 -3.869 -9.649) 10.396 15.118 ( 0.848 0.708 12.114) 12.164 15.685 ( -1.472 -2.153 9.439) 9.793 15.882 ( 2.104 -0.538 -5.288) 5.717 16.423 ( 16.612 -5.693 -5.554) 18.418 17.268 ( -0.074 -0.301 -3.833) 3.845 18.096 ( 15.869 -6.824 6.055) 18.304 18.709 ( 3.161 -4.785 5.394) 7.873 19.348 ( 7.168 4.934 -14.380) 16.808 19.756 ( -7.449 -1.760 0.033) 7.654 19.904 ( -3.448 -1.933 7.222) 8.233 20.939 ( -11.929 -12.709 1.244) 17.474 21.431 ( 2.749 -3.433 -1.129) 4.541 21.471 ( 0.285 2.167 -2.500) 3.320 21.877 ( 9.069 2.048 0.222) 9.300 22.283 ( -3.666 -1.528 7.436) 8.430 22.832 ( 0.039 -1.908 -3.381) 3.883 ======================= Grid point 139 (55/132) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -14.533 16.579 3.167) 22.273 1.286 ( -27.451 13.003 -5.993) 30.960 1.844 ( -21.921 0.860 16.790) 27.626 2.171 ( -8.669 -0.199 -21.556) 23.235 2.381 ( -13.290 11.012 -3.440) 17.599 2.633 ( -12.792 3.752 21.109) 24.966 2.890 ( -1.708 7.152 16.340) 17.918 3.493 ( 1.568 2.345 -7.575) 8.083 3.649 ( -2.297 -2.045 -0.293) 3.089 3.830 ( 2.242 -5.018 -0.933) 5.575 3.930 ( 2.629 0.253 5.162) 5.798 4.095 ( 8.916 -3.142 -4.639) 10.531 4.191 ( -0.431 -0.655 -17.489) 17.507 4.424 ( -0.553 -0.071 -2.737) 2.793 4.754 ( 8.485 3.501 -4.310) 10.140 4.952 ( 8.279 -8.801 1.864) 12.226 5.163 ( -0.555 -0.310 -0.456) 0.782 5.243 ( 1.295 -2.549 -2.415) 3.742 5.374 ( -5.044 -2.380 1.255) 5.717 5.706 ( -5.108 -4.770 -1.947) 7.255 5.769 ( -3.986 0.646 0.655) 4.091 5.816 ( -0.292 0.701 -4.248) 4.315 6.019 ( -8.197 2.386 0.536) 8.554 6.491 ( 3.123 2.094 6.946) 7.898 6.640 ( -0.637 4.943 7.584) 9.075 6.728 ( -4.473 2.103 -1.383) 5.133 6.832 ( -2.136 -4.697 -5.190) 7.319 7.061 ( 0.263 3.698 5.058) 6.271 7.213 ( 5.958 4.093 3.617) 8.083 7.351 ( 6.728 4.937 -1.268) 8.441 7.490 ( -0.265 -0.052 6.250) 6.256 7.688 ( -0.497 -1.398 -0.224) 1.500 7.764 ( -0.629 0.661 0.366) 0.983 7.968 ( 4.316 -3.484 -0.879) 5.616 8.261 ( -7.639 -3.892 1.748) 8.749 8.510 ( -2.938 0.382 2.121) 3.644 8.607 ( 0.264 2.307 -15.341) 15.516 8.729 ( -4.085 3.897 -0.300) 5.654 9.007 ( 5.485 0.467 0.943) 5.585 9.138 ( 7.978 -4.056 3.985) 9.797 9.373 ( 1.627 -2.219 -1.830) 3.305 9.576 ( -0.214 2.652 2.712) 3.799 9.806 ( -8.720 -6.157 0.844) 10.708 10.259 ( -5.592 10.744 0.081) 12.113 10.954 ( -0.426 -4.707 3.687) 5.994 11.255 ( 4.053 6.049 2.570) 7.722 11.322 ( 0.107 -2.708 -9.390) 9.773 11.527 ( -5.165 -2.551 7.873) 9.755 11.752 ( -4.918 1.884 -2.350) 5.767 11.983 ( -2.489 -13.810 6.946) 15.658 12.476 ( 7.257 4.292 -0.098) 8.432 12.528 ( 5.567 3.735 -8.863) 11.112 13.872 ( -0.505 3.385 0.604) 3.475 13.923 ( -2.609 6.897 -0.407) 7.385 13.950 ( 1.337 4.266 0.147) 4.473 14.555 ( 2.602 0.066 -9.851) 10.189 15.257 ( 5.044 1.008 17.162) 17.916 15.671 ( -4.775 1.503 7.194) 8.765 15.927 ( 5.765 0.662 -7.168) 9.222 16.731 ( 13.670 -7.577 1.332) 15.686 17.270 ( 6.515 -0.953 -13.405) 14.935 18.479 ( 17.180 -13.055 8.787) 23.298 18.810 ( 5.835 -5.040 1.460) 7.848 19.410 ( 4.941 5.408 -9.082) 11.668 19.582 ( -10.307 -2.891 2.583) 11.012 19.867 ( -4.164 -1.945 8.307) 9.493 20.610 ( -24.025 -25.902 -0.231) 35.330 21.402 ( 1.400 2.667 -14.724) 15.029 21.573 ( 6.034 -1.682 8.845) 10.839 22.037 ( 6.328 4.753 0.487) 7.929 22.264 ( -1.578 0.091 6.214) 6.412 22.789 ( -2.688 -0.459 -2.706) 3.842 ======================= Grid point 140 (56/132) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -15.859 20.637 1.016) 26.046 0.883 ( -10.685 17.416 17.555) 26.938 1.544 ( -19.818 9.978 33.552) 40.225 1.903 ( -5.761 -0.672 -23.215) 23.929 2.077 ( -9.113 11.464 -14.533) 20.632 2.607 ( -3.437 1.397 23.724) 24.013 2.930 ( -3.350 6.971 15.116) 16.980 3.484 ( 2.462 1.883 -10.650) 11.092 3.594 ( -1.735 -0.842 -3.966) 4.410 3.819 ( -1.183 -4.825 -7.388) 8.903 3.946 ( -1.061 2.037 -1.630) 2.816 4.061 ( -1.545 -1.642 -12.642) 12.841 4.312 ( 11.742 -2.996 -3.046) 12.496 4.424 ( 1.731 -2.174 -6.109) 6.712 4.913 ( 8.855 1.809 -6.448) 11.102 5.034 ( -10.616 -2.412 6.286) 12.571 5.094 ( 4.588 -1.571 -0.389) 4.865 5.290 ( -3.009 -3.903 -3.930) 6.303 5.310 ( 5.604 -4.205 2.549) 7.456 5.586 ( -8.478 -3.436 0.533) 9.163 5.659 ( -1.304 -1.687 -4.060) 4.586 5.842 ( 0.260 1.066 -5.774) 5.877 5.944 ( 1.488 1.893 6.409) 6.846 6.540 ( -1.321 5.336 1.086) 5.603 6.633 ( -2.575 1.965 -0.712) 3.316 6.718 ( 1.775 2.535 0.498) 3.134 6.779 ( 0.933 -1.658 7.010) 7.264 7.090 ( -0.379 5.577 5.062) 7.541 7.298 ( 1.476 -0.655 1.138) 1.975 7.493 ( 6.763 3.696 -3.388) 8.418 7.525 ( -0.543 0.752 10.248) 10.290 7.657 ( -1.345 0.895 -3.132) 3.524 7.780 ( 1.773 3.769 -0.705) 4.224 8.036 ( -0.443 -4.431 -0.394) 4.471 8.126 ( -3.952 -3.933 2.207) 5.997 8.453 ( -1.424 6.206 -7.878) 10.129 8.579 ( -3.240 3.426 -2.667) 5.417 8.670 ( 6.673 -1.129 8.732) 11.047 9.106 ( -0.141 -7.240 -0.927) 7.301 9.253 ( 0.717 -10.219 1.576) 10.365 9.416 ( 3.868 2.673 2.578) 5.362 9.562 ( -4.367 0.365 1.019) 4.499 9.656 ( -1.667 -0.498 -0.209) 1.752 10.104 ( -11.786 6.880 1.904) 13.779 10.924 ( -5.267 -7.746 5.987) 11.117 11.222 ( -3.509 -4.260 -6.249) 8.338 11.375 ( 4.626 5.969 1.603) 7.720 11.453 ( -5.136 -3.765 6.562) 9.144 11.725 ( 1.633 3.650 0.511) 4.031 12.021 ( 3.259 -13.443 4.424) 14.523 12.507 ( 3.688 6.925 -13.128) 15.294 12.639 ( 0.971 -1.818 4.502) 4.951 13.838 ( -2.878 7.991 0.710) 8.523 13.936 ( 5.122 9.394 -2.795) 11.059 14.006 ( 4.143 5.540 -2.228) 7.268 14.587 ( 6.532 8.018 -18.690) 21.360 15.511 ( 1.779 1.719 24.987) 25.109 15.602 ( 2.831 1.831 9.288) 9.881 16.030 ( 8.891 3.695 -7.298) 12.081 16.829 ( -6.844 -6.993 6.351) 11.665 17.526 ( 30.219 -5.435 -22.557) 38.099 18.700 ( -4.395 -27.407 4.321) 28.092 18.990 ( 6.566 -1.860 -0.918) 6.886 19.360 ( -8.794 -4.872 7.446) 12.510 19.489 ( 2.643 1.752 -3.196) 4.502 19.666 ( -33.200 -10.473 -25.553) 43.184 20.064 ( -16.009 -23.526 35.471) 45.475 21.335 ( -0.219 1.568 -15.906) 15.985 21.798 ( 12.462 -0.729 4.837) 13.388 22.109 ( 0.075 4.761 -0.160) 4.764 22.300 ( 1.551 3.577 6.452) 7.539 22.701 ( -4.251 0.348 -3.171) 5.315 ======================= Grid point 141 (57/132) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -4.568 17.004 7.296) 19.059 1.215 ( -3.703 20.153 5.131) 21.124 1.835 ( 4.911 10.940 -17.082) 20.870 1.885 ( 6.064 11.936 10.093) 16.766 2.231 ( -4.083 23.509 6.360) 24.694 2.723 ( -0.036 1.868 19.183) 19.274 3.099 ( -3.726 10.137 10.285) 14.914 3.441 ( 0.971 -2.604 -13.064) 13.356 3.513 ( -1.481 -3.848 -4.969) 6.457 3.726 ( 5.605 -0.079 -16.508) 17.434 3.857 ( -2.261 -6.014 -7.336) 9.752 4.040 ( -2.011 2.612 3.149) 4.559 4.279 ( -0.746 -5.157 -2.579) 5.814 4.461 ( 3.858 3.796 0.318) 5.422 4.914 ( -2.942 -0.161 -0.323) 2.964 4.984 ( 0.849 -1.068 0.044) 1.365 5.045 ( -1.064 -9.465 -5.129) 10.818 5.235 ( 5.023 1.245 -4.757) 7.029 5.332 ( 0.209 -3.588 0.658) 3.654 5.449 ( -4.585 -0.745 -2.561) 5.304 5.541 ( 7.391 -4.405 1.179) 8.685 5.777 ( -4.066 0.684 -5.830) 7.140 6.111 ( 2.783 3.283 10.380) 11.237 6.477 ( -4.240 -1.062 -1.244) 4.544 6.613 ( -0.003 2.047 -1.936) 2.818 6.750 ( -1.816 0.351 2.573) 3.169 6.954 ( 1.783 1.339 4.663) 5.169 7.091 ( -0.784 -4.056 -6.514) 7.713 7.365 ( -2.926 4.131 6.758) 8.444 7.511 ( -0.470 -0.769 2.711) 2.857 7.633 ( 0.757 2.026 2.221) 3.100 7.647 ( 2.441 -0.198 1.587) 2.918 7.736 ( -0.620 -6.562 0.408) 6.604 8.059 ( 1.973 6.272 -7.098) 9.676 8.128 ( -1.926 1.728 6.556) 7.048 8.485 ( -2.961 -0.005 -3.542) 4.617 8.600 ( -0.884 5.256 1.836) 5.637 8.747 ( -2.466 -7.622 2.968) 8.543 8.873 ( 6.636 0.563 4.749) 8.180 9.110 ( -2.052 -7.122 -1.491) 7.560 9.470 ( -0.227 -3.334 7.334) 8.059 9.698 ( 0.335 3.190 -1.685) 3.623 9.749 ( 6.537 1.353 1.871) 6.933 9.864 ( -6.719 5.373 -1.623) 8.754 10.834 ( -1.946 5.127 4.783) 7.276 11.102 ( -1.423 0.818 -5.167) 5.421 11.376 ( 0.209 -1.381 7.031) 7.169 11.546 ( 2.781 3.478 1.018) 4.568 11.781 ( -1.926 1.035 5.179) 5.622 11.945 ( -0.602 -2.824 -1.908) 3.461 12.667 ( -0.437 5.849 -4.646) 7.482 12.716 ( 3.190 8.331 -4.858) 10.158 13.950 ( -0.253 2.408 0.457) 2.464 14.083 ( -0.425 7.591 4.319) 8.744 14.227 ( 4.462 5.768 -7.067) 10.155 14.719 ( -1.790 6.251 -19.469) 20.526 15.511 ( -12.716 8.067 13.492) 20.219 15.870 ( 11.114 -3.231 3.409) 12.066 16.199 ( -7.814 -4.054 12.893) 15.611 16.768 ( 18.857 3.109 -8.994) 21.122 17.491 ( -41.516 -9.548 1.178) 42.616 17.820 ( 24.033 -15.825 -9.511) 30.306 18.813 ( -4.577 -1.795 6.417) 8.084 19.055 ( -7.662 -1.823 -6.556) 10.247 19.374 ( 0.575 0.166 1.785) 1.883 19.555 ( 3.263 -0.655 -4.106) 5.285 20.162 ( 12.362 -4.340 27.029) 30.037 21.060 ( -4.484 -11.635 -14.329) 18.995 22.013 ( -11.027 -0.261 0.339) 11.035 22.059 ( 10.760 -0.321 0.030) 10.765 22.442 ( -0.408 4.429 3.774) 5.833 22.621 ( -0.203 -0.327 -3.104) 3.128 ======================= Grid point 142 (58/132) ======================= q-point: ( 0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 9.381 16.334 8.240) 20.560 1.250 ( 5.340 13.972 3.553) 15.374 1.872 ( 5.352 13.401 -11.716) 18.588 2.034 ( 8.966 10.142 -10.531) 17.151 2.392 ( 9.877 19.681 26.439) 34.408 2.829 ( 1.505 2.529 14.880) 15.168 3.102 ( -0.973 6.704 8.860) 11.153 3.383 ( 1.617 -2.410 -15.851) 16.115 3.491 ( 0.937 -1.977 -1.796) 2.831 3.746 ( 6.481 -3.627 -19.646) 21.003 3.828 ( 0.490 -2.780 -0.054) 2.823 3.999 ( -2.832 2.206 1.553) 3.911 4.181 ( -5.548 -1.201 -3.617) 6.731 4.530 ( 2.130 5.297 -1.757) 5.974 4.826 ( -6.130 -9.367 -2.096) 11.390 4.974 ( 2.815 1.403 1.395) 3.440 5.113 ( 4.591 -1.625 -2.865) 5.651 5.195 ( -6.578 -3.827 0.132) 7.612 5.367 ( 4.143 -1.091 3.066) 5.268 5.443 ( 5.626 -1.621 -6.592) 8.817 5.626 ( -4.895 -0.045 -6.171) 7.877 5.707 ( 4.404 -1.776 0.090) 4.749 6.224 ( 2.165 3.105 11.629) 12.230 6.383 ( -2.039 0.272 -5.612) 5.977 6.630 ( 0.689 3.664 3.061) 4.823 6.731 ( -0.605 -1.162 2.207) 2.567 6.962 ( -1.409 -1.633 0.034) 2.157 7.064 ( 0.513 -3.485 -3.233) 4.781 7.360 ( -1.121 -2.330 9.052) 9.414 7.520 ( -1.154 3.574 2.212) 4.359 7.576 ( -3.724 6.309 2.481) 7.735 7.692 ( -2.480 -6.823 -2.385) 7.642 7.770 ( 4.414 3.048 1.937) 5.704 8.022 ( -7.036 6.865 1.735) 9.982 8.090 ( 0.942 -0.683 -4.172) 4.331 8.447 ( -0.238 -4.178 2.578) 4.916 8.637 ( 2.208 1.621 -0.619) 2.808 8.797 ( 7.104 -0.256 1.026) 7.182 8.952 ( -1.400 -1.840 -3.154) 3.911 9.066 ( -0.267 -7.841 1.232) 7.942 9.408 ( -8.133 -3.324 4.348) 9.803 9.627 ( -2.283 0.893 -0.490) 2.500 9.760 ( 3.237 8.694 -0.762) 9.308 10.139 ( 16.968 -2.915 2.379) 17.380 10.863 ( 1.895 6.326 4.296) 7.878 11.066 ( 0.371 -0.073 -4.754) 4.769 11.413 ( -0.056 1.496 3.960) 4.233 11.585 ( -0.589 0.466 4.469) 4.532 11.802 ( -7.273 6.722 6.760) 11.990 11.816 ( -0.659 -2.272 -4.005) 4.651 12.631 ( 0.308 5.828 -7.895) 9.818 12.740 ( 0.776 3.665 -2.951) 4.768 13.929 ( -2.088 0.604 0.753) 2.300 14.094 ( -0.066 7.133 2.493) 7.556 14.235 ( -0.539 4.153 -4.721) 6.311 14.451 ( -11.936 15.008 -12.506) 22.894 15.377 ( -8.134 3.279 16.061) 18.299 15.990 ( -1.714 -1.845 -5.749) 6.276 16.075 ( -5.270 -5.621 9.370) 12.131 16.713 ( -27.084 2.185 7.471) 28.181 17.262 ( 23.605 -4.266 -24.065) 33.978 18.021 ( -5.579 -18.410 9.466) 21.440 18.833 ( 1.235 -1.777 -0.479) 2.217 19.076 ( 11.081 -1.374 5.757) 12.562 19.361 ( -0.173 0.034 -0.574) 0.601 19.608 ( 4.367 -0.859 -4.181) 6.106 20.567 ( 12.512 -8.895 19.920) 25.149 20.944 ( 2.408 -8.276 -18.207) 20.144 21.778 ( -10.948 -0.928 1.157) 11.048 22.174 ( -0.312 -2.126 0.551) 2.218 22.409 ( -2.690 3.662 2.867) 5.373 22.654 ( 3.248 0.212 -2.006) 3.823 ======================= Grid point 143 (59/132) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 18.032 15.349 7.484) 24.834 1.450 ( 11.431 8.245 6.907) 15.696 1.916 ( 5.975 10.047 -13.124) 17.575 2.154 ( 9.649 12.242 -10.997) 19.076 2.795 ( 14.504 5.558 24.953) 29.392 2.955 ( 4.410 2.957 9.369) 10.769 3.131 ( -1.510 -1.388 7.655) 7.925 3.342 ( 1.676 -0.561 -12.246) 12.373 3.527 ( 3.314 2.353 -0.770) 4.137 3.695 ( -6.783 -6.365 -1.218) 9.381 3.915 ( 10.289 -1.843 -10.147) 14.568 3.967 ( 0.704 2.382 -2.571) 3.575 4.088 ( -0.423 4.831 -3.213) 5.818 4.521 ( -0.823 6.911 -3.102) 7.620 4.708 ( -4.354 -7.186 -1.622) 8.557 4.966 ( -7.223 -2.059 0.358) 7.519 5.096 ( -3.182 -1.371 -0.392) 3.487 5.163 ( 1.653 2.485 -1.384) 3.290 5.421 ( 2.607 -0.491 -5.228) 5.863 5.568 ( 4.135 -0.020 4.496) 6.108 5.623 ( 10.451 -6.566 -3.599) 12.856 5.712 ( -1.803 0.795 -3.108) 3.680 6.329 ( 4.283 8.420 1.707) 9.600 6.345 ( -1.082 -3.750 4.221) 5.749 6.678 ( 1.482 2.604 4.170) 5.135 6.729 ( -0.213 -1.185 -0.235) 1.227 6.936 ( -1.073 -3.717 0.120) 3.871 7.075 ( 1.013 -4.492 1.019) 4.716 7.368 ( -3.697 -2.745 0.513) 4.633 7.467 ( -3.406 0.997 6.123) 7.077 7.538 ( -5.483 4.649 1.914) 7.439 7.621 ( -0.239 -2.895 -1.127) 3.116 7.832 ( -1.300 3.404 1.963) 4.139 7.888 ( -2.423 5.557 2.288) 6.480 8.121 ( 3.479 5.607 -6.584) 9.321 8.461 ( -1.797 -8.445 0.902) 8.681 8.598 ( -3.246 -4.138 -2.793) 5.955 8.877 ( 0.470 5.671 0.407) 5.705 9.027 ( 0.040 -3.502 1.191) 3.700 9.069 ( 9.686 -5.541 -3.815) 11.793 9.291 ( -3.987 -1.320 2.330) 4.803 9.625 ( 0.767 1.572 1.217) 2.131 9.849 ( 6.004 7.256 -0.517) 9.432 10.395 ( 6.937 -1.320 2.403) 7.459 10.927 ( 2.036 5.505 2.544) 6.397 11.062 ( 1.737 -2.409 -4.592) 5.468 11.385 ( -5.041 6.458 2.064) 8.449 11.568 ( -4.766 4.650 -1.360) 6.796 11.631 ( -2.641 -1.168 8.053) 8.555 11.925 ( 5.543 -1.698 3.038) 6.545 12.579 ( -2.299 4.618 -5.527) 7.560 12.703 ( -1.552 0.208 -6.650) 6.832 13.900 ( -1.003 -2.074 2.328) 3.275 14.111 ( 0.566 5.761 -0.544) 5.814 14.146 ( -8.045 3.409 1.786) 8.918 14.241 ( -1.494 8.581 -10.418) 13.579 15.336 ( -5.171 0.495 14.941) 15.818 15.802 ( -10.773 -2.136 -3.720) 11.595 16.044 ( -5.168 -5.451 4.092) 8.554 16.333 ( -12.323 -1.468 -2.081) 12.584 17.490 ( 9.653 -4.943 -18.607) 21.537 17.873 ( -12.124 -15.106 13.890) 23.835 18.771 ( -6.083 1.502 1.798) 6.518 19.266 ( 1.729 1.156 0.593) 2.162 19.508 ( 12.778 -6.877 3.663) 14.966 19.694 ( 6.337 0.129 -2.254) 6.727 20.809 ( 8.781 -13.573 -4.646) 16.821 20.985 ( 5.701 1.564 0.911) 5.981 21.629 ( -4.819 -3.704 0.333) 6.088 22.072 ( -8.918 -4.207 1.000) 9.911 22.391 ( -1.022 2.558 2.733) 3.880 22.692 ( 1.319 -0.757 -1.450) 2.101 ======================= Grid point 144 (60/132) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 14.068 5.399 8.431) 17.267 1.803 ( 16.348 9.929 9.911) 21.543 1.995 ( 10.374 8.222 -12.730) 18.365 2.321 ( 11.585 8.719 -5.656) 15.563 3.012 ( -5.646 -3.992 -1.781) 7.141 3.049 ( 1.833 -2.075 5.777) 6.406 3.269 ( 9.092 0.174 19.979) 21.951 3.300 ( 0.805 -1.959 -11.273) 11.470 3.523 ( -7.089 -5.797 2.933) 9.616 3.618 ( 4.863 2.565 -1.285) 5.646 3.927 ( -0.702 -3.538 -3.055) 4.727 4.071 ( 4.893 11.127 0.821) 12.183 4.195 ( 13.225 3.175 -9.893) 16.818 4.506 ( 1.377 2.843 -1.583) 3.533 4.647 ( -0.884 0.337 -0.624) 1.134 4.764 ( -10.278 -1.542 -3.410) 10.938 5.016 ( -4.765 1.634 0.342) 5.048 5.112 ( -5.393 3.483 -2.933) 7.058 5.454 ( -0.215 -0.731 0.293) 0.816 5.649 ( 2.831 1.570 -2.089) 3.853 5.724 ( 6.846 -1.874 4.095) 8.194 5.861 ( 11.600 -2.305 -1.691) 11.947 6.344 ( -0.434 -4.143 2.786) 5.012 6.428 ( 3.271 3.246 0.678) 4.658 6.656 ( -2.788 0.701 -1.091) 3.075 6.766 ( 1.105 -0.535 4.637) 4.797 6.933 ( 0.751 -0.844 0.497) 1.234 7.095 ( -0.983 -3.260 4.642) 5.758 7.214 ( -9.033 -0.056 -0.584) 9.052 7.358 ( -6.545 -6.498 -6.324) 11.182 7.507 ( 0.097 0.264 6.671) 6.677 7.655 ( 1.568 0.900 1.042) 2.087 7.772 ( -3.464 0.268 2.910) 4.532 7.958 ( 6.514 10.701 -2.743) 12.825 8.116 ( -2.841 3.928 -2.430) 5.422 8.328 ( -6.979 -4.273 -3.225) 8.796 8.603 ( 2.185 -7.202 1.810) 7.741 8.894 ( -0.196 7.471 0.796) 7.516 8.937 ( -4.166 -5.306 -0.287) 6.752 9.231 ( 2.729 1.694 -4.491) 5.522 9.338 ( 8.849 -2.430 0.435) 9.187 9.653 ( 1.157 0.091 0.984) 1.522 9.984 ( 7.226 6.442 0.500) 9.694 10.455 ( -0.986 5.799 1.683) 6.119 10.958 ( 0.888 0.945 -1.685) 2.126 11.093 ( 3.345 -3.774 -2.459) 5.610 11.267 ( -6.394 8.283 3.353) 10.988 11.507 ( -1.416 4.170 1.361) 4.609 11.670 ( 0.560 -6.969 6.363) 9.453 12.039 ( 3.673 -0.454 4.290) 5.666 12.476 ( -5.716 0.648 -2.112) 6.128 12.635 ( 0.074 0.509 -11.046) 11.058 13.902 ( -2.735 -4.378 6.216) 8.079 13.989 ( -4.623 -0.015 -1.855) 4.981 14.098 ( -3.455 2.496 1.927) 4.678 14.236 ( 6.321 0.964 -12.969) 14.460 15.316 ( -5.492 -0.968 15.529) 16.500 15.591 ( -7.191 -4.525 -3.793) 9.304 15.902 ( -10.656 -4.769 6.764) 13.492 16.166 ( -3.268 -5.385 -8.925) 10.924 17.494 ( 0.740 -3.962 -9.487) 10.308 17.715 ( -10.747 -10.699 9.108) 17.689 18.674 ( -4.256 5.353 3.457) 7.663 19.273 ( 1.908 -0.116 -8.289) 8.507 19.701 ( 4.764 -5.036 4.598) 8.319 19.823 ( 5.733 -0.827 0.516) 5.815 20.954 ( 10.078 -10.870 -8.828) 17.253 21.109 ( 3.571 1.474 8.343) 9.194 21.556 ( -3.129 -3.287 -1.123) 4.675 21.871 ( -10.779 -5.852 -0.122) 12.265 22.390 ( -1.390 0.869 5.167) 5.421 22.693 ( 0.232 -2.595 -3.030) 3.996 ======================= Grid point 145 (61/132) ======================= q-point: ( 0.40 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 11.779 2.971 3.537) 12.652 2.116 ( 9.357 5.280 9.597) 14.406 2.215 ( 14.809 2.115 -2.018) 15.094 2.518 ( 7.587 6.780 1.436) 10.276 2.784 ( -13.950 -5.069 -2.707) 15.087 3.075 ( 1.004 2.481 -2.790) 3.866 3.218 ( -2.028 -3.593 -8.948) 9.853 3.348 ( -3.713 -3.695 -4.785) 7.095 3.506 ( -0.185 0.056 7.036) 7.038 3.807 ( 10.615 -4.963 6.596) 13.447 3.866 ( -3.485 -0.646 -1.632) 3.902 4.222 ( 9.296 11.663 -0.783) 14.935 4.356 ( 5.759 -2.977 -2.156) 6.832 4.518 ( -9.718 1.502 0.045) 9.833 4.570 ( 5.267 -1.918 -1.448) 5.789 4.732 ( 7.717 5.064 -5.038) 10.515 4.901 ( -7.625 8.461 1.636) 11.507 4.957 ( -7.783 4.575 -2.493) 9.366 5.434 ( -1.547 2.080 5.729) 6.288 5.739 ( 6.483 2.082 -0.131) 6.810 5.896 ( 7.285 0.229 3.732) 8.188 6.018 ( 3.434 -2.776 -0.750) 4.479 6.313 ( -4.495 -9.143 0.108) 10.188 6.423 ( -1.831 0.971 -8.134) 8.394 6.657 ( 3.556 -0.635 0.840) 3.708 6.781 ( -1.643 0.230 6.034) 6.258 6.913 ( -4.700 1.187 -2.561) 5.482 7.072 ( -1.896 1.017 0.989) 2.368 7.132 ( 2.087 -1.495 3.225) 4.122 7.235 ( -3.831 -6.330 0.685) 7.430 7.547 ( 0.313 -1.092 4.753) 4.887 7.666 ( -0.500 -1.591 -0.627) 1.782 7.754 ( 0.580 1.664 4.299) 4.647 7.958 ( -10.215 -2.342 0.798) 10.510 8.077 ( 7.704 5.723 -10.060) 13.903 8.220 ( -3.698 2.459 -3.804) 5.847 8.668 ( 2.531 -4.316 5.667) 7.560 8.868 ( 0.557 0.498 -2.430) 2.542 8.908 ( -2.329 3.927 5.087) 6.836 9.238 ( 0.841 2.454 -4.713) 5.380 9.481 ( 5.716 1.005 -4.235) 7.185 9.667 ( -0.204 -0.939 -0.372) 1.030 10.127 ( 6.433 5.082 1.736) 8.380 10.414 ( -3.796 10.059 2.235) 10.981 10.970 ( 3.375 -4.500 -6.359) 8.490 11.097 ( -2.434 1.682 -4.031) 5.000 11.248 ( 1.686 1.596 9.090) 9.382 11.490 ( -2.164 2.024 3.845) 4.854 11.712 ( 0.041 -6.837 8.061) 10.570 12.115 ( 2.067 2.200 3.079) 4.312 12.344 ( -6.130 -4.643 -2.939) 8.232 12.592 ( 1.547 1.820 -11.534) 11.778 13.839 ( -3.867 -5.101 4.124) 7.615 13.959 ( -2.655 -5.276 4.447) 7.393 14.019 ( -2.092 -1.033 -4.294) 4.887 14.318 ( 8.763 -3.297 -14.307) 17.098 15.269 ( -8.033 -3.098 16.178) 18.326 15.489 ( -3.830 -7.427 3.902) 9.223 15.770 ( -2.421 -3.143 -1.436) 4.219 16.063 ( -2.810 -6.124 -7.808) 10.313 17.471 ( -0.053 -3.747 -1.602) 4.075 17.547 ( -8.131 -5.661 2.121) 10.132 18.642 ( -2.287 7.206 7.297) 10.507 19.265 ( 4.028 -1.086 -15.297) 15.856 19.786 ( 1.587 -3.691 5.077) 6.474 19.901 ( 2.201 -1.249 0.202) 2.538 21.104 ( 8.421 -6.989 -4.099) 11.686 21.207 ( 1.349 -2.150 7.422) 7.844 21.474 ( -4.523 -2.256 -0.980) 5.149 21.679 ( -6.776 -5.700 -2.515) 9.205 22.382 ( -3.312 -0.003 8.368) 9.000 22.685 ( 1.656 -4.656 -5.439) 7.349 ======================= Grid point 146 (62/132) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -5.031 1.106 7.605) 9.185 2.291 ( 2.219 6.238 4.049) 7.761 2.403 ( -4.471 -3.128 -0.622) 5.492 2.525 ( 8.132 -5.933 1.955) 10.254 2.686 ( 2.150 3.058 6.619) 7.602 3.000 ( -7.272 0.650 -6.242) 9.605 3.140 ( -4.893 3.978 -10.272) 12.053 3.286 ( 7.728 -2.874 -11.324) 14.008 3.556 ( 2.054 -1.151 6.422) 6.841 3.760 ( -4.283 0.517 -2.203) 4.844 4.015 ( 4.203 -4.118 6.188) 8.539 4.279 ( -4.331 -0.150 -1.331) 4.534 4.383 ( -3.046 -3.668 -0.074) 4.769 4.458 ( 4.223 6.701 -1.054) 7.991 4.691 ( 0.522 2.526 3.381) 4.252 4.730 ( -1.578 12.214 -1.729) 12.436 4.800 ( -5.048 3.252 -1.193) 6.122 4.912 ( 10.216 5.485 -5.224) 12.718 5.492 ( 3.001 2.659 11.541) 12.217 5.886 ( 1.568 -3.767 4.449) 6.037 5.957 ( -3.216 0.947 1.538) 3.689 6.042 ( 3.251 -0.205 2.836) 4.319 6.189 ( -2.508 -3.269 -14.226) 14.811 6.313 ( -4.086 -0.778 -5.420) 6.832 6.709 ( -3.147 -2.513 -0.052) 4.028 6.773 ( 1.226 -0.140 -1.611) 2.030 6.863 ( 2.989 -0.401 4.669) 5.559 7.021 ( -2.137 -6.035 -2.754) 6.969 7.151 ( -7.582 4.393 7.765) 11.708 7.304 ( 9.756 0.893 3.860) 10.530 7.546 ( -3.072 -2.469 4.908) 6.294 7.678 ( 2.330 -5.393 0.428) 5.890 7.784 ( -6.864 -5.421 2.849) 9.199 7.845 ( 6.098 1.107 1.529) 6.384 8.022 ( -6.201 3.350 -11.301) 13.319 8.237 ( 8.255 5.654 -7.015) 12.220 8.741 ( -0.224 -3.224 7.409) 8.084 8.877 ( -3.266 5.533 4.470) 7.827 8.906 ( 3.466 0.343 0.649) 3.543 9.202 ( -1.164 3.458 -7.799) 8.610 9.531 ( 1.657 1.630 -2.678) 3.546 9.634 ( -2.283 -0.033 -2.594) 3.456 10.225 ( -1.266 6.159 4.197) 7.559 10.359 ( 0.575 7.705 0.499) 7.742 10.989 ( -2.347 -1.442 -4.489) 5.267 11.060 ( 5.924 -0.277 -6.791) 9.016 11.344 ( 1.703 0.322 8.769) 8.939 11.467 ( -2.196 -1.039 5.562) 6.070 11.766 ( -0.518 -4.671 13.403) 14.203 12.160 ( 1.714 3.634 -0.495) 4.048 12.197 ( -6.270 -8.960 -5.007) 12.028 12.570 ( 2.460 3.340 -11.050) 11.803 13.812 ( -1.932 -5.669 1.925) 6.291 13.897 ( -2.693 -5.780 5.398) 8.355 14.014 ( 2.514 -2.653 -5.082) 6.259 14.414 ( 8.587 -6.565 -15.387) 18.804 15.176 ( -9.176 -3.500 14.460) 17.480 15.463 ( -3.039 -8.513 12.677) 15.570 15.801 ( 6.682 -3.253 -8.861) 11.565 15.984 ( -0.448 -5.023 -5.051) 7.137 17.384 ( -6.477 -2.023 3.008) 7.422 17.538 ( 5.188 -4.818 -2.484) 7.503 18.645 ( -2.173 6.157 9.103) 11.202 19.279 ( 6.729 -0.197 -18.181) 19.387 19.821 ( -1.017 -4.282 5.480) 7.028 19.921 ( -0.110 -0.742 -0.061) 0.752 21.177 ( -8.182 -6.360 3.106) 10.819 21.236 ( 5.412 -2.834 0.251) 6.115 21.431 ( 1.832 -3.899 1.758) 4.652 21.596 ( 0.184 -3.243 -4.882) 5.864 22.347 ( -4.728 -0.344 8.762) 9.962 22.706 ( 3.279 -5.532 -5.411) 8.404 ======================= Grid point 147 (63/132) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -18.508 5.202 0.275) 19.227 2.165 ( -11.924 2.510 13.569) 18.238 2.501 ( 3.479 -5.264 -1.420) 6.468 2.592 ( -7.732 0.760 4.017) 8.746 2.766 ( -0.523 -5.768 -4.099) 7.096 2.793 ( -3.245 5.310 -6.968) 9.342 2.999 ( -1.253 8.200 -2.443) 8.647 3.436 ( 8.864 -4.855 -5.005) 11.278 3.625 ( 0.500 -2.151 4.509) 5.021 3.715 ( 2.138 1.556 -0.903) 2.794 3.998 ( -9.708 0.953 3.500) 10.364 4.136 ( -7.286 8.981 1.465) 11.657 4.353 ( 1.311 -8.487 -4.680) 9.780 4.517 ( 1.042 2.554 -1.291) 3.045 4.535 ( -4.391 12.366 -0.315) 13.126 4.718 ( -1.366 1.879 -4.356) 4.936 4.921 ( 9.787 0.016 1.702) 9.934 5.088 ( 8.461 2.737 -2.284) 9.181 5.644 ( 2.170 0.435 11.345) 11.559 5.706 ( -9.550 -1.500 2.352) 9.949 5.949 ( -1.289 -0.055 -9.994) 10.076 6.051 ( -6.473 2.671 -0.109) 7.003 6.157 ( 2.468 -2.943 3.766) 5.379 6.260 ( 1.305 -3.431 -4.169) 5.555 6.656 ( 1.104 -1.251 -0.196) 1.680 6.802 ( 0.478 -1.546 -1.187) 2.007 6.939 ( -1.812 2.086 7.000) 7.526 6.987 ( -0.355 -4.340 -3.226) 5.419 7.062 ( 0.129 2.932 5.073) 5.861 7.463 ( 2.982 0.737 -0.497) 3.112 7.490 ( -4.127 0.497 3.630) 5.519 7.685 ( -4.302 -5.077 0.853) 6.709 7.747 ( 3.692 -3.016 0.371) 4.782 7.864 ( -3.253 1.645 -5.940) 6.969 8.030 ( 10.835 -0.606 3.006) 11.261 8.389 ( 10.081 2.940 -6.588) 12.396 8.716 ( -5.063 -3.449 4.919) 7.856 8.825 ( -4.232 4.385 3.533) 7.044 8.988 ( 3.218 0.685 0.932) 3.420 9.125 ( -1.294 5.391 -8.158) 9.864 9.490 ( -5.288 -1.472 -2.509) 6.035 9.594 ( 0.135 2.032 0.187) 2.045 10.118 ( -8.117 7.412 1.999) 11.173 10.442 ( 3.832 4.225 1.594) 5.923 10.920 ( -1.023 1.610 -3.761) 4.217 11.164 ( 6.566 -0.993 -5.786) 8.807 11.378 ( -1.319 3.672 4.135) 5.685 11.483 ( -0.532 -5.543 7.836) 9.613 11.817 ( -3.184 -3.009 16.974) 17.530 12.020 ( -7.455 -8.757 -6.044) 12.992 12.226 ( 5.807 2.544 -2.923) 6.981 12.573 ( 3.969 4.736 -11.355) 12.928 13.774 ( -1.933 -5.152 3.061) 6.297 13.939 ( 3.209 -3.645 1.985) 5.246 14.045 ( 2.919 0.170 -3.552) 4.600 14.475 ( 5.248 -8.013 -13.975) 16.942 15.100 ( -4.601 -0.931 11.670) 12.579 15.511 ( 0.363 -8.156 14.275) 16.445 15.843 ( 1.906 -3.234 -6.579) 7.575 16.060 ( 10.501 -5.536 -6.091) 13.342 17.302 ( -2.784 -0.305 -0.029) 2.800 17.675 ( 8.976 -7.526 0.566) 11.727 18.651 ( -1.412 3.533 6.679) 7.686 19.336 ( 7.967 1.247 -15.424) 17.405 19.800 ( -4.080 -4.683 4.604) 7.731 19.902 ( -1.953 -0.713 1.251) 2.426 20.974 ( -12.202 -8.254 -0.074) 14.732 21.312 ( 1.623 -1.875 4.102) 4.793 21.500 ( 2.032 -1.143 -0.704) 2.436 21.649 ( 8.440 -5.380 -3.586) 10.632 22.301 ( -3.834 -0.104 6.655) 7.681 22.747 ( 2.969 -4.958 -3.459) 6.735 ======================= Grid point 148 (64/132) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -15.068 11.245 2.814) 19.011 1.950 ( -17.482 4.434 13.384) 22.459 2.276 ( -16.809 6.045 -12.336) 21.709 2.428 ( -7.004 -1.907 -13.187) 15.053 2.617 ( -6.678 3.821 5.105) 9.233 2.895 ( 3.917 2.204 12.253) 13.051 2.995 ( -3.938 4.118 3.061) 6.468 3.549 ( 4.255 -6.434 -0.292) 7.719 3.637 ( -1.837 2.623 -2.189) 3.879 3.722 ( -4.134 0.005 2.691) 4.933 3.859 ( 2.205 5.195 -1.438) 5.824 4.049 ( -2.903 5.364 2.155) 6.468 4.282 ( -3.523 -3.903 -9.964) 11.266 4.480 ( -1.845 3.485 -2.908) 4.900 4.602 ( 6.707 -3.696 3.196) 8.298 4.713 ( 4.043 1.962 -5.219) 6.887 5.092 ( 6.700 -2.583 -0.195) 7.183 5.189 ( 2.778 1.968 -2.558) 4.258 5.502 ( -7.398 0.694 -0.676) 7.461 5.729 ( -2.834 -1.587 2.982) 4.410 5.843 ( -5.466 2.456 -7.455) 9.565 5.940 ( -2.720 1.680 1.306) 3.454 6.152 ( -6.026 -2.681 6.022) 8.931 6.305 ( 5.365 -4.614 2.511) 7.508 6.726 ( 4.014 -3.962 -3.595) 6.688 6.774 ( -2.756 -0.175 1.620) 3.201 6.878 ( -5.858 5.881 4.298) 9.348 7.012 ( 4.090 -1.648 3.639) 5.717 7.190 ( 7.666 1.320 1.504) 7.923 7.397 ( -2.686 3.613 0.447) 4.524 7.483 ( -1.013 0.196 -2.333) 2.551 7.645 ( -0.389 -1.462 2.076) 2.569 7.784 ( -0.561 0.294 -1.636) 1.754 7.840 ( 2.241 -1.704 0.247) 2.826 8.249 ( 7.033 -2.072 2.217) 7.660 8.498 ( 1.651 -0.166 -5.068) 5.333 8.659 ( -0.025 -3.603 0.824) 3.696 8.768 ( -1.505 2.407 2.019) 3.484 9.008 ( 0.174 3.501 -2.668) 4.405 9.095 ( 0.141 3.935 -3.141) 5.037 9.351 ( -6.280 -3.012 -0.060) 6.965 9.604 ( -0.335 0.274 2.041) 2.087 9.968 ( -7.491 6.551 0.692) 9.976 10.474 ( -1.599 3.531 1.250) 4.072 10.919 ( 1.840 2.684 -1.463) 3.568 11.235 ( 3.554 -1.843 -6.674) 7.783 11.379 ( 0.461 7.082 2.310) 7.463 11.481 ( -4.902 -8.424 9.016) 13.277 11.823 ( -3.894 -0.101 13.107) 13.674 11.857 ( -5.233 -7.594 -4.772) 10.384 12.371 ( 9.532 3.432 -1.501) 10.242 12.602 ( 5.160 5.916 -12.150) 14.466 13.784 ( 1.335 -4.492 2.724) 5.420 14.012 ( 3.404 1.448 -0.493) 3.732 14.085 ( 1.919 5.251 -0.662) 5.630 14.480 ( 2.983 -6.899 -10.432) 12.858 15.138 ( 2.143 1.169 10.634) 10.911 15.616 ( 2.765 -4.790 10.524) 11.888 15.863 ( 3.683 -1.462 -4.640) 6.101 16.275 ( 13.684 -8.453 -4.720) 16.762 17.262 ( -0.605 -0.138 -3.264) 3.322 17.893 ( 11.568 -12.357 2.903) 17.174 18.677 ( 2.113 1.891 2.961) 4.100 19.414 ( 6.299 1.275 -9.671) 11.612 19.697 ( -8.763 -4.459 3.617) 10.476 19.864 ( -3.117 -1.732 3.780) 5.197 20.682 ( -17.280 -10.876 -2.965) 20.632 21.380 ( 3.475 -1.905 5.421) 6.715 21.492 ( -1.002 -0.511 -4.639) 4.774 21.849 ( 11.279 -5.030 -0.330) 12.355 22.277 ( -1.370 1.574 4.249) 4.734 22.775 ( 1.057 -3.699 -1.679) 4.198 ======================= Grid point 149 (65/132) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -9.452 16.804 7.876) 20.826 1.613 ( -20.126 17.758 0.455) 26.844 1.898 ( -15.126 4.634 1.068) 15.856 2.178 ( -7.785 0.721 -20.020) 21.492 2.553 ( -5.419 4.519 10.731) 12.843 2.791 ( -16.297 11.868 10.677) 22.814 3.044 ( 2.179 6.301 11.284) 13.107 3.520 ( -2.945 -0.888 -1.812) 3.570 3.627 ( 0.733 0.328 -3.305) 3.402 3.718 ( 1.948 -5.843 -3.756) 7.214 3.944 ( 5.225 -1.400 1.044) 5.509 4.059 ( 2.578 4.118 3.339) 5.895 4.140 ( -3.571 -3.723 -15.525) 16.360 4.434 ( -0.467 0.681 -3.429) 3.527 4.753 ( 7.071 -6.484 -1.149) 9.662 4.850 ( 10.721 2.668 0.811) 11.078 5.180 ( 2.022 -0.834 -2.690) 3.467 5.191 ( -0.354 -0.178 -1.576) 1.625 5.338 ( -9.294 0.026 -0.564) 9.311 5.603 ( -6.639 -4.411 -2.982) 8.510 5.758 ( -2.198 -1.110 -4.449) 5.085 5.867 ( -3.607 2.560 -2.417) 5.041 6.055 ( -5.333 1.802 6.355) 8.490 6.479 ( 7.347 -2.725 7.098) 10.573 6.689 ( -5.854 -4.271 -0.104) 7.247 6.739 ( 0.718 -3.793 -5.909) 7.059 6.825 ( -1.447 10.035 6.154) 11.860 7.136 ( 3.471 2.167 6.729) 7.876 7.322 ( 2.937 4.554 1.841) 5.723 7.420 ( 5.087 0.347 -2.645) 5.745 7.451 ( 0.048 -3.443 1.451) 3.736 7.672 ( 1.567 0.282 0.670) 1.728 7.743 ( -2.470 -0.743 -0.185) 2.585 7.909 ( 3.817 -0.980 1.873) 4.363 8.256 ( -4.851 2.408 -0.175) 5.419 8.487 ( 0.484 -2.297 1.330) 2.698 8.653 ( 0.053 0.264 -8.032) 8.037 8.795 ( -0.291 2.243 1.189) 2.555 9.012 ( 0.315 -1.885 -1.874) 2.677 9.058 ( -0.496 1.220 0.251) 1.340 9.292 ( -0.329 -6.215 2.874) 6.855 9.602 ( -0.297 0.390 1.199) 1.295 9.832 ( -6.183 7.438 -0.314) 9.677 10.391 ( -7.991 1.436 1.933) 8.346 10.936 ( -0.887 3.263 0.570) 3.429 11.231 ( 0.759 -2.305 -8.637) 8.972 11.391 ( -7.273 -6.908 10.177) 14.290 11.432 ( 1.842 5.947 3.085) 6.948 11.781 ( 1.036 -1.532 -6.490) 6.748 11.830 ( -2.003 0.252 11.639) 11.813 12.554 ( 8.480 3.330 -0.371) 9.118 12.640 ( 5.277 7.392 -12.311) 15.299 13.850 ( 3.737 -2.638 1.790) 4.912 14.061 ( 1.292 6.209 -0.571) 6.368 14.108 ( 1.880 8.047 -1.995) 8.501 14.533 ( 8.125 -2.636 -8.002) 11.705 15.288 ( 6.031 2.077 14.523) 15.862 15.701 ( 0.648 1.293 5.756) 5.935 15.947 ( 7.750 1.077 -5.446) 9.533 16.533 ( 11.873 -11.419 1.219) 16.518 17.245 ( 3.628 -1.274 -10.187) 10.888 18.123 ( 7.965 -19.279 4.090) 21.257 18.795 ( 8.918 2.035 1.699) 9.304 19.466 ( -0.321 -0.118 -3.311) 3.329 19.489 ( -12.233 -6.415 5.698) 14.942 19.821 ( -3.594 -2.969 3.517) 5.840 20.224 ( -26.194 -10.263 -5.450) 28.656 21.406 ( -5.096 -5.246 -4.488) 8.581 21.536 ( 10.013 0.785 2.934) 10.463 22.055 ( 8.387 -2.900 0.742) 8.905 22.296 ( 1.481 3.614 2.779) 4.793 22.762 ( -1.769 -2.272 -0.915) 3.021 ======================= Grid point 150 (66/132) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -17.202 18.304 3.622) 25.378 1.293 ( -7.006 23.266 4.195) 24.658 1.762 ( -2.428 10.336 12.616) 16.489 1.937 ( -4.419 4.298 -20.206) 21.126 2.405 ( -12.455 19.001 0.663) 22.729 2.649 ( -4.668 3.271 20.525) 21.302 3.106 ( -2.050 9.541 11.268) 14.907 3.478 ( -0.045 -2.428 -5.230) 5.766 3.584 ( -1.646 -1.333 -6.426) 6.766 3.718 ( 1.701 -4.773 -7.980) 9.453 3.982 ( -2.954 -2.912 -16.521) 17.034 4.032 ( 1.113 1.082 3.589) 3.911 4.191 ( 8.235 -4.272 0.656) 9.300 4.426 ( 0.731 1.880 -1.597) 2.573 4.880 ( 7.107 -5.100 -4.130) 9.674 5.052 ( -9.493 1.957 2.362) 9.977 5.083 ( 9.397 1.687 -0.662) 9.570 5.177 ( -3.865 -5.330 -1.748) 6.812 5.252 ( 3.825 -1.252 -2.144) 4.560 5.496 ( -1.908 -4.737 -3.063) 5.955 5.620 ( -8.278 -2.088 -4.138) 9.487 5.834 ( 0.596 -0.866 -3.902) 4.042 6.034 ( -0.774 5.677 8.380) 10.151 6.542 ( -3.470 -3.297 2.644) 5.468 6.647 ( 0.392 0.162 -2.778) 2.810 6.729 ( 1.723 -0.853 0.274) 1.942 6.871 ( 1.881 6.745 7.817) 10.495 7.160 ( -1.933 0.032 -3.691) 4.167 7.351 ( 0.845 4.551 3.279) 5.672 7.504 ( 0.076 -2.723 7.085) 7.591 7.523 ( 6.129 -1.728 -2.332) 6.782 7.669 ( -1.818 -0.527 0.811) 2.059 7.729 ( 0.605 -3.363 1.266) 3.644 8.005 ( 4.588 -0.201 1.100) 4.722 8.159 ( -3.886 6.197 0.391) 7.325 8.546 ( 2.152 -5.115 -0.771) 5.603 8.594 ( 0.252 6.077 -2.219) 6.475 8.727 ( -4.399 4.040 3.257) 6.803 8.929 ( -6.904 -5.612 -3.239) 9.468 9.107 ( 2.214 -4.732 1.663) 5.483 9.366 ( 5.133 -5.817 4.379) 8.908 9.625 ( 2.873 1.625 -0.550) 3.346 9.730 ( -3.560 9.032 -0.270) 9.712 10.163 ( -15.737 -0.617 1.783) 15.850 10.884 ( -4.445 3.231 2.969) 6.246 11.174 ( -2.256 -0.209 -6.394) 6.783 11.344 ( -2.201 -4.398 9.810) 10.973 11.488 ( 2.482 4.834 0.799) 5.492 11.790 ( -0.100 2.451 1.179) 2.722 11.888 ( 3.897 -2.333 2.554) 5.211 12.669 ( 3.027 3.530 -1.754) 4.970 12.677 ( 4.444 9.212 -9.160) 13.730 13.928 ( 2.553 0.528 0.778) 2.721 14.065 ( -0.680 8.844 4.334) 9.872 14.160 ( 5.768 6.273 -8.540) 12.065 14.690 ( 10.981 1.193 -12.246) 16.492 15.533 ( 8.177 0.997 19.237) 20.927 15.692 ( -2.951 6.814 3.503) 8.210 16.111 ( 10.287 3.438 -2.507) 11.132 16.661 ( -0.975 -8.658 3.856) 9.528 17.398 ( 21.317 -6.769 -18.063) 28.749 18.135 ( -15.128 -24.541 6.390) 29.529 18.947 ( -2.810 -2.015 -2.379) 4.198 19.230 ( -7.552 -6.678 10.623) 14.645 19.441 ( -9.637 -3.552 -2.335) 10.533 19.588 ( -9.180 -0.301 -15.163) 17.728 19.917 ( -2.251 0.613 20.233) 20.367 21.245 ( -7.263 -9.442 -7.935) 14.313 21.795 ( 14.040 1.118 1.282) 14.143 22.141 ( -1.087 -1.137 0.378) 1.618 22.371 ( 4.173 4.004 2.930) 6.483 22.694 ( -4.157 -1.027 -1.577) 4.563 ======================= Grid point 151 (67/132) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -3.330 16.374 0.622) 16.721 1.561 ( -4.212 13.645 -9.122) 16.945 2.068 ( 8.142 13.782 3.719) 16.433 2.159 ( 2.526 14.593 -0.096) 14.810 2.604 ( -2.304 6.453 8.797) 11.150 2.844 ( 0.313 14.238 13.318) 19.498 3.275 ( -3.781 3.853 2.424) 5.917 3.382 ( 2.382 -3.445 -2.626) 4.944 3.389 ( -4.075 -6.200 -5.275) 9.103 3.691 ( 2.912 -4.809 -15.520) 16.507 3.720 ( -0.045 -5.624 -2.854) 6.307 3.931 ( 0.963 -10.165 -6.710) 12.219 4.429 ( -1.486 17.485 7.698) 19.162 4.569 ( 3.527 4.532 5.305) 7.818 4.835 ( 0.747 -10.167 -1.696) 10.334 4.926 ( -4.573 4.356 -6.930) 9.376 5.015 ( 0.547 3.165 2.548) 4.100 5.227 ( -0.268 -0.005 -5.094) 5.101 5.292 ( 1.557 -0.838 -1.057) 2.060 5.356 ( -1.248 -5.494 -4.631) 7.293 5.581 ( 5.493 4.603 1.552) 7.333 5.783 ( -1.464 -0.268 -3.809) 4.090 6.188 ( 0.486 3.645 9.186) 9.894 6.435 ( -3.954 -2.843 1.180) 5.011 6.614 ( 1.801 -5.470 -3.340) 6.657 6.758 ( -0.657 -1.727 7.094) 7.331 6.881 ( -1.985 -4.786 -5.054) 7.238 7.036 ( -1.385 -0.159 -5.555) 5.727 7.359 ( -1.751 -3.462 2.261) 4.490 7.449 ( 2.601 -4.759 -2.425) 5.941 7.614 ( -1.092 -1.463 4.863) 5.195 7.672 ( 3.663 -0.159 5.019) 6.216 7.749 ( -0.712 6.696 3.686) 7.676 8.034 ( -1.596 -3.110 1.840) 3.950 8.259 ( -2.148 5.754 1.623) 6.352 8.422 ( -1.716 -3.541 2.641) 4.739 8.644 ( 1.762 -1.692 -0.325) 2.465 8.720 ( 1.851 4.088 2.056) 4.936 8.986 ( 1.187 7.396 -3.307) 8.189 9.003 ( -2.399 -3.294 -3.974) 5.692 9.397 ( 1.981 -3.083 5.274) 6.422 9.554 ( -1.291 -9.185 -1.647) 9.421 9.943 ( 2.279 9.524 1.025) 9.846 9.975 ( -2.416 5.285 -0.330) 5.821 10.969 ( -0.638 7.547 3.196) 8.221 11.166 ( -0.978 4.843 -3.359) 5.975 11.367 ( 1.234 0.409 6.348) 6.479 11.595 ( 1.566 1.239 -0.206) 2.007 11.795 ( -3.113 0.235 1.796) 3.602 11.891 ( 1.928 -2.507 -2.393) 3.966 12.792 ( 0.625 6.189 -3.056) 6.931 12.868 ( 1.104 6.165 -4.261) 7.575 13.991 ( -1.041 2.802 0.803) 3.095 14.203 ( 0.215 4.081 -1.776) 4.456 14.349 ( 2.345 5.595 -0.320) 6.075 14.733 ( 1.389 -3.009 -9.043) 9.631 15.694 ( -8.458 8.361 13.114) 17.703 15.885 ( 3.577 5.219 1.088) 6.420 16.134 ( -6.716 -2.361 9.787) 12.102 16.816 ( 23.043 0.483 -14.060) 26.998 17.276 ( -28.100 -10.736 3.365) 30.268 17.563 ( 13.552 -9.781 -7.414) 18.284 18.798 ( -2.489 0.231 4.282) 4.958 19.010 ( -5.523 -2.668 -6.208) 8.727 19.371 ( 1.266 -0.138 1.767) 2.178 19.524 ( 2.211 -2.489 -2.374) 4.088 20.129 ( 7.944 0.725 17.745) 19.456 20.800 ( -4.650 -13.591 -10.576) 17.838 22.007 ( -8.568 -0.210 0.948) 8.623 22.049 ( 7.482 -0.681 0.769) 7.553 22.524 ( 0.190 3.542 1.366) 3.801 22.613 ( 0.154 -0.403 -1.902) 1.950 ======================= Grid point 152 (68/132) ======================= q-point: ( 0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 9.070 15.174 2.264) 17.823 1.513 ( 3.477 12.054 -3.145) 12.934 2.158 ( 1.611 14.704 -7.229) 16.464 2.275 ( 8.687 13.477 2.163) 16.179 2.649 ( 1.125 3.636 12.585) 13.147 2.951 ( 1.965 10.330 11.946) 15.915 3.151 ( -7.401 -3.198 -0.132) 8.064 3.314 ( 0.136 -5.684 -7.242) 9.207 3.464 ( 3.878 -1.541 1.955) 4.608 3.619 ( 0.843 -4.137 -5.865) 7.226 3.808 ( 6.408 -0.630 -6.347) 9.041 3.890 ( 0.728 -9.810 -10.660) 14.505 4.419 ( -3.316 20.886 7.083) 22.302 4.629 ( -1.318 -4.188 3.352) 5.524 4.738 ( -2.326 9.948 -3.968) 10.960 4.947 ( 4.979 -6.500 -3.110) 8.759 5.066 ( -1.101 0.604 2.553) 2.845 5.184 ( 2.217 3.148 -4.198) 5.696 5.307 ( 1.759 -2.865 -0.152) 3.366 5.374 ( 4.526 -4.910 -2.341) 7.076 5.690 ( -2.906 4.180 -8.221) 9.670 5.723 ( 4.594 2.670 0.169) 5.317 6.251 ( -0.413 -1.100 9.721) 9.792 6.366 ( -1.976 -1.282 3.047) 3.851 6.650 ( 1.821 -8.091 0.980) 8.351 6.749 ( -0.432 6.743 -0.891) 6.815 6.825 ( -1.403 -11.499 -2.830) 11.925 7.010 ( -0.696 -0.225 -2.123) 2.245 7.299 ( -2.728 -3.481 1.502) 4.671 7.514 ( 2.643 -3.146 -0.554) 4.147 7.576 ( -4.988 -3.159 1.383) 6.064 7.681 ( -0.806 2.410 1.364) 2.884 7.868 ( 5.009 5.013 7.432) 10.270 7.992 ( -3.568 -1.188 3.631) 5.228 8.202 ( -1.523 3.464 -0.994) 3.913 8.403 ( -1.864 0.218 1.157) 2.205 8.656 ( -1.422 1.437 -2.289) 3.054 8.823 ( 6.806 2.078 2.946) 7.702 8.944 ( -0.351 -1.473 -1.939) 2.460 8.991 ( 0.033 0.568 -3.474) 3.520 9.330 ( -6.063 -3.120 1.737) 7.036 9.592 ( 2.505 -4.361 0.828) 5.097 9.945 ( 1.866 8.554 -0.767) 8.789 10.127 ( 11.144 1.409 1.768) 11.371 10.993 ( 0.827 6.879 3.462) 7.745 11.135 ( -0.210 6.039 -3.737) 7.105 11.424 ( 1.135 -0.436 6.011) 6.133 11.597 ( -2.471 0.697 2.146) 3.346 11.752 ( -0.530 -3.239 -4.760) 5.782 11.893 ( -1.301 1.770 2.653) 3.444 12.762 ( -1.262 6.723 -4.644) 8.268 12.834 ( -2.465 5.000 -3.403) 6.531 13.938 ( -4.274 1.402 0.968) 4.601 14.197 ( 0.811 3.392 -4.319) 5.551 14.326 ( -4.932 3.992 1.668) 6.561 14.605 ( -8.978 1.419 -7.461) 11.760 15.511 ( -12.462 9.558 13.310) 20.586 15.942 ( 0.365 -2.646 -2.583) 3.716 16.028 ( -8.628 0.644 6.210) 10.650 16.698 ( -27.364 -4.432 1.473) 27.759 17.181 ( 19.888 -2.571 -15.536) 25.368 17.697 ( -2.068 -13.680 4.569) 14.570 18.818 ( 2.564 0.426 -0.868) 2.741 19.042 ( 8.685 -2.104 3.814) 9.716 19.367 ( -1.024 0.752 0.765) 1.483 19.577 ( 4.865 -2.307 -4.523) 7.032 20.413 ( 8.842 -5.875 13.297) 17.015 20.753 ( 7.175 -10.487 -10.835) 16.699 21.799 ( -11.445 2.555 0.942) 11.765 22.108 ( -2.691 -3.949 0.980) 4.878 22.487 ( -2.200 3.807 0.238) 4.404 22.650 ( 2.208 -0.540 -0.509) 2.329 ======================= Grid point 153 (69/132) ======================= q-point: ( 0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 9.894 7.557 3.610) 12.962 1.700 ( 12.488 13.342 6.094) 19.264 2.176 ( 5.269 15.408 -9.914) 19.064 2.395 ( 4.950 11.200 -7.503) 14.361 2.793 ( 5.450 -3.763 17.047) 18.288 3.024 ( -5.091 -7.380 -1.130) 9.037 3.059 ( 4.944 4.885 7.858) 10.491 3.286 ( -0.964 -5.831 -2.638) 6.472 3.485 ( -3.656 -8.037 1.861) 9.023 3.651 ( 2.323 3.288 0.318) 4.038 3.822 ( 1.309 -5.669 -8.075) 9.953 3.979 ( 12.635 0.765 -10.523) 16.461 4.370 ( -4.211 11.856 4.099) 13.232 4.603 ( 0.512 7.082 -3.382) 7.864 4.730 ( 0.735 9.455 -0.100) 9.484 4.965 ( -7.703 1.446 -0.742) 7.872 5.015 ( 2.452 -4.173 1.431) 5.047 5.256 ( 2.611 5.243 -4.451) 7.356 5.381 ( 5.143 -1.818 -1.804) 5.745 5.471 ( 6.031 -5.316 0.991) 8.101 5.630 ( 2.786 3.399 -4.424) 6.236 5.770 ( 2.099 3.463 -2.397) 4.705 6.240 ( -3.096 -6.691 4.886) 8.844 6.435 ( 3.811 1.752 6.155) 7.448 6.703 ( 2.027 -5.642 6.135) 8.577 6.743 ( 1.043 3.792 -4.331) 5.850 6.778 ( -2.217 -8.520 -3.157) 9.352 6.984 ( -0.824 -3.322 1.690) 3.817 7.253 ( -4.453 -7.204 1.592) 8.617 7.450 ( -6.403 -3.068 -3.988) 8.144 7.531 ( -0.510 -0.042 1.047) 1.165 7.673 ( -1.636 2.908 2.354) 4.083 7.867 ( -5.536 2.645 4.583) 7.659 8.054 ( 5.233 8.443 6.621) 11.937 8.244 ( 6.227 0.162 -3.532) 7.160 8.331 ( -6.085 -0.409 -0.059) 6.099 8.556 ( -4.523 0.826 -6.035) 7.586 8.920 ( -3.857 -5.135 -2.328) 6.832 8.977 ( 2.904 3.771 1.743) 5.068 9.026 ( 9.989 -0.905 3.016) 10.473 9.266 ( -0.815 -0.339 -0.442) 0.987 9.631 ( 1.149 -1.513 0.824) 2.071 10.011 ( 5.088 7.922 -1.224) 9.495 10.350 ( 9.173 -2.500 2.676) 9.877 11.008 ( -1.326 3.970 1.182) 4.349 11.120 ( 0.108 6.437 -1.598) 6.634 11.480 ( 1.898 1.054 3.145) 3.821 11.532 ( -5.111 -0.936 3.894) 6.494 11.678 ( -4.447 -0.645 -4.912) 6.657 11.913 ( 1.758 0.819 4.495) 4.895 12.686 ( -4.998 5.519 -3.267) 8.131 12.746 ( -2.819 4.089 -6.013) 7.799 13.858 ( -3.931 -1.256 1.795) 4.501 14.166 ( -3.913 1.768 -7.944) 9.031 14.208 ( -5.069 1.351 3.347) 6.223 14.362 ( -10.587 2.079 -3.884) 11.467 15.392 ( -7.227 5.382 12.203) 15.169 15.779 ( -13.250 0.086 -1.644) 13.352 15.927 ( -5.405 -5.942 2.516) 8.417 16.261 ( -16.195 -5.881 -1.768) 17.320 17.393 ( 8.875 -4.264 -12.887) 16.218 17.611 ( -7.448 -10.671 8.289) 15.429 18.823 ( -1.673 3.642 0.864) 4.100 19.258 ( 4.140 -2.889 5.173) 7.228 19.403 ( 7.509 -2.193 -0.603) 7.846 19.678 ( 7.214 -2.044 -3.451) 8.254 20.592 ( 9.515 -7.496 -5.390) 13.258 20.936 ( 9.671 -6.608 3.901) 12.346 21.605 ( -7.843 1.585 0.297) 8.007 21.972 ( -10.406 -5.182 0.863) 11.657 22.454 ( -1.601 3.293 0.143) 3.665 22.666 ( -0.558 -1.770 0.139) 1.861 ======================= Grid point 154 (70/132) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 12.953 4.938 5.593) 14.948 1.951 ( 8.242 6.956 7.349) 13.051 2.227 ( 4.520 11.495 -9.083) 15.332 2.498 ( 9.182 8.326 -1.836) 12.530 2.887 ( -5.815 -6.828 -1.580) 9.107 3.015 ( 5.824 -2.525 6.645) 9.189 3.223 ( 4.495 -3.544 -9.054) 10.712 3.271 ( 1.919 -0.873 11.806) 11.993 3.380 ( -5.526 -8.300 6.668) 11.995 3.661 ( -0.266 0.918 -2.111) 2.318 3.844 ( 3.261 -2.439 -4.584) 6.132 4.169 ( 9.855 -0.496 -9.329) 13.579 4.338 ( -0.171 4.642 4.946) 6.785 4.590 ( 0.063 8.879 -5.678) 10.540 4.749 ( -1.305 2.083 -6.137) 6.610 4.785 ( -5.211 7.617 0.842) 9.267 5.088 ( 3.152 7.416 4.704) 9.331 5.182 ( -3.712 3.998 -9.725) 11.151 5.463 ( 1.884 2.022 2.754) 3.902 5.625 ( 6.160 -2.425 6.041) 8.962 5.717 ( 7.207 1.160 -3.727) 8.196 5.875 ( 9.404 1.767 -0.861) 9.607 6.203 ( -3.463 -7.723 4.266) 9.478 6.495 ( 0.718 0.928 -4.057) 4.223 6.668 ( -4.128 -0.897 -2.804) 5.070 6.763 ( 1.837 0.436 -0.477) 1.948 6.826 ( 3.833 -8.383 9.360) 13.137 7.009 ( 1.538 -5.042 4.597) 6.994 7.122 ( -7.921 -7.372 0.616) 10.839 7.276 ( -8.486 -1.472 -5.759) 10.361 7.536 ( 0.217 1.324 1.993) 2.402 7.644 ( -1.677 0.084 0.569) 1.773 7.783 ( -5.557 0.552 4.221) 7.000 8.129 ( -8.763 -3.089 -0.189) 9.293 8.218 ( 3.848 9.028 1.137) 9.879 8.333 ( 2.761 8.846 -6.916) 11.563 8.507 ( 2.752 -2.713 2.162) 4.429 8.829 ( -2.216 -4.132 -3.934) 6.121 9.033 ( 0.779 4.937 3.850) 6.309 9.254 ( 9.934 -1.480 0.851) 10.079 9.269 ( 1.509 -0.863 0.592) 1.836 9.649 ( 0.712 -1.107 -0.873) 1.579 10.123 ( 6.571 6.656 -1.289) 9.442 10.506 ( 4.978 -0.478 3.049) 5.857 10.952 ( -3.556 0.604 -2.032) 4.140 11.117 ( -0.167 4.437 0.791) 4.510 11.417 ( -6.248 4.162 0.656) 7.536 11.534 ( -3.489 -3.209 6.189) 7.796 11.586 ( 1.309 1.425 -2.630) 3.265 11.990 ( 2.934 -3.894 4.288) 6.493 12.528 ( -8.882 4.529 -1.122) 10.033 12.677 ( -0.196 3.559 -8.979) 9.661 13.807 ( -3.943 -4.302 5.786) 8.218 13.972 ( -8.988 -1.435 -2.452) 9.426 14.129 ( -6.817 0.294 -1.262) 6.939 14.215 ( 0.735 -3.490 -10.227) 10.831 15.320 ( -8.072 1.556 14.175) 16.386 15.517 ( -11.623 -2.646 1.685) 12.039 15.793 ( -8.062 -5.381 2.402) 9.986 16.035 ( -4.958 -7.611 -8.032) 12.125 17.423 ( 1.106 -3.012 -6.602) 7.340 17.525 ( -5.489 -7.773 5.417) 10.949 18.800 ( -1.047 7.070 2.238) 7.489 19.269 ( -0.018 -0.465 -4.498) 4.522 19.582 ( 6.419 -5.697 4.611) 9.743 19.796 ( 5.621 -2.537 -2.174) 6.539 20.777 ( 12.184 -6.058 -7.114) 15.355 21.099 ( 3.196 -3.437 7.862) 9.156 21.498 ( -2.942 -1.774 -1.286) 3.668 21.743 ( -12.125 -5.879 0.189) 13.477 22.422 ( -2.029 1.982 1.633) 3.273 22.634 ( -2.153 -3.142 -0.924) 3.919 ======================= Grid point 155 (71/132) ======================= q-point: ( 0.40 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 8.282 3.513 1.853) 9.185 2.164 ( 11.384 1.017 5.728) 12.784 2.268 ( 1.771 0.935 -1.022) 2.248 2.660 ( 3.592 6.115 6.828) 9.845 2.718 ( -9.174 -1.453 -1.948) 9.491 3.135 ( 7.931 2.060 -11.194) 13.872 3.163 ( -6.676 -0.188 0.225) 6.683 3.254 ( 0.042 -5.173 -1.143) 5.298 3.480 ( 0.347 -2.439 8.536) 8.884 3.721 ( 8.798 -3.012 1.689) 9.451 3.849 ( -1.244 -1.196 -3.067) 3.519 4.224 ( 1.003 -5.555 -5.414) 7.822 4.439 ( 3.962 4.950 6.536) 9.106 4.537 ( -2.501 0.532 -1.401) 2.916 4.597 ( -1.809 4.528 -7.347) 8.818 4.835 ( 2.609 2.893 -0.299) 3.907 5.064 ( -0.445 10.344 -9.495) 14.048 5.177 ( 1.889 15.702 2.157) 15.962 5.498 ( -0.188 4.128 7.359) 8.440 5.737 ( 2.724 -1.512 3.157) 4.435 5.868 ( 7.910 -1.668 1.851) 8.293 6.058 ( 5.621 4.719 -1.145) 7.428 6.125 ( -3.017 -8.693 -2.714) 9.593 6.424 ( -3.516 -0.965 -7.915) 8.714 6.634 ( 1.710 -2.441 0.139) 2.984 6.790 ( -0.447 0.426 2.921) 2.986 6.876 ( -3.610 -7.240 2.170) 8.376 6.993 ( -5.934 -7.254 -6.416) 11.358 7.103 ( 4.064 -0.672 5.656) 6.997 7.135 ( 0.837 -2.299 6.326) 6.783 7.546 ( -2.378 1.609 4.678) 5.489 7.593 ( -3.797 -4.109 -1.069) 5.696 7.722 ( -0.704 -3.696 3.378) 5.056 7.897 ( -11.226 -4.850 -2.788) 12.543 8.287 ( 2.430 12.542 -11.692) 17.318 8.325 ( 1.355 7.053 -0.912) 7.239 8.629 ( 4.217 0.442 9.001) 9.950 8.815 ( 2.189 -1.697 -1.683) 3.241 9.047 ( -1.078 5.704 3.648) 6.856 9.280 ( 0.876 1.680 -2.477) 3.118 9.433 ( 5.523 -4.351 2.104) 7.339 9.648 ( 0.152 -1.279 -3.241) 3.488 10.243 ( 5.740 5.824 -0.020) 8.177 10.576 ( 0.194 4.723 1.203) 4.877 10.884 ( -0.495 -2.505 -2.917) 3.877 11.114 ( -0.590 1.070 -1.290) 1.777 11.316 ( -4.415 0.748 4.264) 6.184 11.470 ( -3.953 -1.470 5.946) 7.290 11.650 ( 3.326 0.620 1.267) 3.613 12.046 ( 0.025 -9.121 1.881) 9.313 12.355 ( -7.283 6.266 0.278) 9.612 12.643 ( 1.813 3.172 -9.685) 10.351 13.732 ( -5.748 -5.195 6.153) 9.894 13.847 ( -5.181 -5.787 2.706) 8.225 13.987 ( -3.328 -2.071 -6.888) 7.925 14.217 ( 5.542 -6.617 -14.543) 16.912 15.212 ( -10.468 -2.303 16.220) 19.441 15.357 ( -7.790 -5.595 9.149) 13.255 15.704 ( 0.277 -2.874 -4.568) 5.404 15.930 ( -1.744 -6.843 -8.208) 10.828 17.409 ( -0.927 -2.386 0.243) 2.571 17.444 ( -3.323 -4.262 0.105) 5.406 18.799 ( -1.639 8.301 5.749) 10.230 19.252 ( 3.260 -0.337 -11.986) 12.426 19.690 ( 1.778 -5.170 5.942) 8.075 19.869 ( 2.963 -2.603 -2.073) 4.455 20.978 ( 10.563 -4.985 -3.345) 12.150 21.152 ( -1.802 -3.385 6.699) 7.720 21.435 ( -4.642 -1.788 -0.405) 4.990 21.545 ( -5.196 -6.778 -1.976) 8.766 22.390 ( -3.021 0.723 4.628) 5.574 22.590 ( -0.465 -4.571 -3.521) 5.789 ======================= Grid point 156 (72/132) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -6.701 -1.114 3.597) 7.687 2.292 ( 8.565 -2.289 -2.322) 9.165 2.405 ( 7.327 -3.842 3.640) 9.038 2.485 ( -12.893 5.885 3.299) 14.551 2.742 ( -0.246 2.198 7.224) 7.555 3.029 ( -4.515 2.605 -4.455) 6.857 3.214 ( -3.188 -0.076 -4.150) 5.233 3.240 ( 6.838 0.185 -7.429) 10.099 3.524 ( 2.494 -0.712 4.229) 4.961 3.762 ( -3.752 -0.189 -3.431) 5.087 3.921 ( 6.326 -4.873 3.482) 8.711 4.178 ( -1.555 -7.154 -6.114) 9.539 4.409 ( -4.315 3.476 5.112) 7.539 4.571 ( 0.467 3.670 -2.747) 4.608 4.667 ( 8.940 -0.633 3.148) 9.499 4.805 ( -3.681 0.330 -2.910) 4.704 5.104 ( 6.655 14.411 -3.512) 16.257 5.146 ( -4.592 20.079 -3.914) 20.966 5.561 ( 1.779 4.079 11.117) 11.975 5.787 ( -1.996 -5.898 3.915) 7.355 5.928 ( -4.094 -2.220 0.054) 4.657 6.039 ( 5.166 -0.816 -0.367) 5.243 6.188 ( 4.442 2.659 -10.162) 11.405 6.299 ( -5.126 -0.651 -5.127) 7.279 6.664 ( -2.518 -2.120 1.968) 3.835 6.761 ( -1.395 -2.062 -1.721) 3.026 6.832 ( 0.204 -4.374 0.621) 4.422 6.856 ( -1.122 -8.278 -3.073) 8.901 7.207 ( -1.614 0.337 8.759) 8.913 7.290 ( 7.864 -2.675 6.101) 10.306 7.446 ( -4.441 -4.023 6.337) 8.722 7.583 ( 0.860 -2.820 1.483) 3.300 7.700 ( -5.634 -3.173 -3.965) 7.585 7.779 ( 4.764 -6.168 -2.040) 8.056 8.202 ( -4.397 10.796 -5.740) 12.994 8.386 ( 6.288 7.990 -7.924) 12.890 8.715 ( -1.392 1.091 9.081) 9.251 8.869 ( 2.280 0.365 1.696) 2.865 9.046 ( -0.701 6.389 3.657) 7.395 9.263 ( -0.841 2.390 -4.127) 4.843 9.488 ( -0.941 -4.587 1.860) 5.038 9.620 ( -0.588 -1.105 -4.358) 4.534 10.348 ( 2.922 5.673 3.440) 7.249 10.510 ( -4.412 5.699 -3.503) 8.014 10.925 ( 4.180 -2.058 -1.524) 4.902 11.083 ( 1.119 0.820 -7.149) 7.283 11.291 ( -3.180 -7.759 11.972) 14.616 11.460 ( -0.356 3.076 5.670) 6.461 11.728 ( 2.916 0.187 5.048) 5.833 11.980 ( -5.452 -12.414 -4.931) 14.428 12.277 ( -1.361 8.030 2.267) 8.454 12.642 ( 3.232 3.675 -9.170) 10.395 13.693 ( -1.669 -5.950 2.783) 6.778 13.762 ( -3.436 -7.408 6.489) 10.431 13.960 ( 4.458 -2.322 -9.344) 10.610 14.266 ( 7.259 -7.907 -15.569) 18.911 15.108 ( -7.808 -3.004 14.445) 16.693 15.298 ( -4.692 -7.587 14.957) 17.415 15.737 ( 5.466 -2.807 -8.518) 10.503 15.880 ( 1.207 -5.178 -6.128) 8.113 17.352 ( -3.818 -1.098 2.120) 4.503 17.451 ( 3.003 -3.713 -1.375) 4.969 18.786 ( -3.108 7.810 6.822) 10.826 19.278 ( 6.507 -0.128 -14.529) 15.920 19.723 ( -1.611 -4.931 6.403) 8.240 19.894 ( 0.646 -2.407 -1.987) 3.188 21.051 ( -8.302 -5.173 3.798) 10.493 21.186 ( 8.888 -2.285 -1.868) 9.365 21.354 ( -1.799 -3.573 2.830) 4.900 21.504 ( 0.426 -5.623 -3.328) 6.548 22.349 ( -3.596 0.590 5.334) 6.460 22.592 ( 2.666 -5.514 -3.992) 7.311 ======================= Grid point 157 (73/132) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -11.359 3.322 0.925) 11.871 2.251 ( -14.003 5.843 9.953) 18.147 2.400 ( 1.220 -3.545 -5.001) 6.250 2.560 ( 7.922 -5.930 7.633) 12.498 2.709 ( -4.743 1.476 -3.011) 5.808 2.901 ( -7.246 4.524 -4.966) 9.881 3.134 ( -2.474 4.447 -2.077) 5.497 3.329 ( 4.448 -5.840 0.472) 7.356 3.579 ( 0.627 -1.185 3.442) 3.694 3.739 ( 2.359 1.384 0.597) 2.799 3.957 ( -3.258 -3.649 1.147) 5.024 4.169 ( 3.960 -7.995 -7.702) 11.786 4.344 ( -4.206 8.459 1.918) 9.640 4.539 ( -2.750 0.618 -2.833) 3.996 4.723 ( -1.919 3.408 -4.081) 5.652 4.835 ( 5.222 1.135 2.653) 5.967 4.990 ( -5.772 16.478 -4.954) 18.148 5.234 ( 5.886 11.044 -1.674) 12.626 5.649 ( -6.857 -1.284 0.717) 7.012 5.690 ( 2.541 1.530 12.362) 12.713 5.942 ( 0.534 -0.620 0.560) 0.992 6.074 ( -2.272 -4.468 -5.136) 7.177 6.116 ( -4.888 2.386 -1.190) 5.568 6.228 ( 0.395 0.653 -5.876) 5.925 6.610 ( -1.167 -4.492 -1.441) 4.860 6.741 ( -0.706 -3.749 1.627) 4.147 6.842 ( 0.724 -8.136 1.600) 8.323 6.934 ( 7.290 -3.755 -0.891) 8.249 7.135 ( -5.917 3.186 6.525) 9.366 7.376 ( -0.366 -6.731 3.520) 7.605 7.500 ( 1.288 0.158 2.479) 2.798 7.622 ( 1.217 -0.871 0.447) 1.562 7.698 ( 7.023 -2.172 2.967) 7.927 7.854 ( 4.284 -3.128 -7.556) 9.232 8.109 ( -0.987 7.841 -0.735) 7.937 8.482 ( 7.240 4.657 -6.698) 10.907 8.667 ( -6.947 -0.121 5.333) 8.759 8.880 ( -2.614 2.063 1.377) 3.604 9.064 ( 0.332 5.017 3.861) 6.339 9.215 ( -1.259 3.193 -4.070) 5.324 9.422 ( -6.262 -4.097 1.530) 7.638 9.594 ( -0.231 -1.257 -1.687) 2.116 10.290 ( -7.580 7.998 -1.024) 11.067 10.492 ( 1.163 0.874 1.714) 2.248 10.965 ( 2.296 2.573 -3.885) 5.195 11.128 ( 5.858 -1.162 -6.162) 8.581 11.301 ( -2.891 -10.364 13.234) 17.056 11.499 ( 1.146 6.861 4.177) 8.114 11.795 ( -2.953 -5.372 5.147) 8.004 11.841 ( -1.472 -4.312 -3.980) 6.049 12.312 ( 4.554 6.440 -0.492) 7.903 12.670 ( 4.314 4.526 -8.348) 10.430 13.663 ( -1.566 -5.613 3.607) 6.853 13.835 ( 6.479 -6.819 3.049) 9.888 14.043 ( 8.063 -0.043 -7.314) 10.886 14.318 ( 5.488 -7.072 -13.436) 16.145 15.079 ( -1.602 -1.064 10.854) 11.023 15.339 ( 0.731 -8.436 15.860) 17.979 15.781 ( 3.138 -2.631 -6.468) 7.655 15.945 ( 8.305 -5.729 -6.102) 11.791 17.301 ( -1.993 0.334 0.160) 2.027 17.529 ( 5.141 -6.519 0.201) 8.305 18.760 ( -2.134 7.151 4.246) 8.586 19.341 ( 6.513 -0.929 -11.312) 13.086 19.696 ( -4.802 -5.130 6.514) 9.581 19.873 ( -1.631 -2.688 -1.948) 3.699 20.850 ( -12.065 -3.162 -0.505) 12.483 21.288 ( 0.139 -0.742 5.422) 5.475 21.460 ( 9.327 -3.997 1.527) 10.261 21.493 ( 1.986 -8.144 -5.452) 10.000 22.321 ( -1.306 1.951 3.349) 4.090 22.640 ( 3.387 -5.484 -2.130) 6.789 ======================= Grid point 158 (74/132) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -8.840 10.591 3.360) 14.199 2.038 ( -12.725 5.165 12.020) 18.251 2.309 ( -6.239 -1.914 -9.538) 11.557 2.503 ( -11.849 7.947 -7.737) 16.230 2.703 ( -7.779 4.961 -0.308) 9.232 2.811 ( 10.495 -8.715 5.172) 14.589 3.088 ( -3.427 2.657 6.944) 8.187 3.416 ( 2.912 -7.191 1.922) 7.993 3.627 ( 2.111 -0.550 2.698) 3.470 3.738 ( -4.638 1.037 0.987) 4.854 3.889 ( -1.535 -1.639 -4.702) 5.210 4.165 ( -1.118 -5.583 -9.842) 11.371 4.295 ( -1.243 12.004 4.688) 12.947 4.466 ( -1.274 0.083 -6.021) 6.155 4.680 ( -0.306 4.743 -2.263) 5.264 4.844 ( -0.228 14.501 -2.289) 14.682 4.993 ( 4.654 -6.247 0.437) 7.802 5.286 ( 1.169 6.507 -4.070) 7.763 5.544 ( -4.713 4.060 0.769) 6.268 5.716 ( -7.323 0.176 4.104) 8.397 5.882 ( -4.978 0.368 -8.040) 9.464 5.967 ( -2.176 0.840 2.545) 3.453 6.096 ( -2.925 -2.763 5.427) 6.756 6.230 ( 4.497 -1.964 1.662) 5.181 6.592 ( 0.605 -9.658 -4.536) 10.687 6.713 ( -3.333 -4.211 1.520) 5.582 6.918 ( 4.751 -5.557 3.075) 7.931 7.040 ( 1.299 5.154 3.048) 6.127 7.153 ( 6.132 -3.149 3.639) 7.795 7.369 ( 0.166 -4.724 -3.809) 6.070 7.495 ( -2.040 0.907 1.737) 2.829 7.660 ( 1.667 2.310 1.604) 3.269 7.826 ( 2.189 3.581 -2.520) 4.895 7.869 ( 2.106 3.404 2.571) 4.757 8.195 ( 7.449 -2.663 0.262) 7.915 8.520 ( -8.263 -0.477 1.003) 8.337 8.590 ( 5.645 -0.896 -4.267) 7.133 8.802 ( -3.801 1.465 -1.528) 4.351 9.083 ( -0.620 3.808 2.180) 4.431 9.182 ( -0.549 2.604 -0.997) 2.842 9.275 ( -9.082 -2.276 2.130) 9.602 9.588 ( -0.019 -1.451 0.200) 1.465 10.134 ( -6.761 8.243 -1.739) 10.802 10.475 ( -4.572 -2.620 2.884) 6.007 11.017 ( 4.474 6.289 -3.362) 8.418 11.185 ( 1.665 -2.939 -2.899) 4.452 11.307 ( -2.996 -6.811 9.498) 12.065 11.542 ( 1.176 8.161 2.342) 8.572 11.701 ( -1.344 -7.861 -4.822) 9.320 11.871 ( -0.268 3.113 6.371) 7.096 12.450 ( 9.491 5.027 -2.193) 10.961 12.722 ( 5.117 5.404 -7.659) 10.679 13.692 ( 3.065 -4.133 2.407) 5.681 14.007 ( 8.914 -2.516 0.501) 9.276 14.176 ( 6.991 3.579 -2.049) 8.117 14.340 ( 4.138 -6.064 -10.206) 12.572 15.165 ( 4.749 1.624 8.585) 9.945 15.501 ( 7.608 -6.326 11.639) 15.276 15.828 ( 5.127 -1.654 -3.903) 6.653 16.105 ( 10.403 -8.224 -4.800) 14.103 17.266 ( -1.275 0.600 -2.193) 2.607 17.651 ( 6.492 -10.916 1.042) 12.743 18.767 ( 1.748 6.503 1.686) 6.942 19.401 ( 3.698 -2.734 -5.364) 7.066 19.589 ( -9.760 -5.219 5.681) 12.441 19.814 ( -3.177 -4.034 -1.741) 5.422 20.562 ( -16.115 -0.558 -3.487) 16.497 21.310 ( -2.547 -6.793 6.732) 9.897 21.468 ( 2.357 -0.507 -4.069) 4.730 21.722 ( 13.244 -6.285 0.223) 14.661 22.337 ( 1.559 3.922 1.396) 4.446 22.689 ( 2.010 -4.678 -0.540) 5.120 ======================= Grid point 159 (75/132) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -7.757 13.398 5.991) 16.600 1.913 ( -6.430 10.255 13.786) 18.346 2.051 ( -12.870 11.042 -10.388) 19.887 2.214 ( -8.532 4.247 -15.468) 18.168 2.602 ( -4.103 1.552 7.752) 8.907 2.961 ( -1.629 0.496 1.597) 2.334 3.120 ( 3.441 3.136 12.414) 13.258 3.446 ( -0.799 -7.462 2.113) 7.796 3.622 ( -3.414 -0.828 -4.918) 6.044 3.648 ( -2.579 0.761 -0.576) 2.750 3.855 ( 2.322 -5.522 -5.478) 8.117 4.044 ( -4.727 -4.828 -10.271) 12.295 4.332 ( 1.331 17.286 5.183) 18.095 4.433 ( 0.771 0.866 -2.988) 3.205 4.704 ( 3.364 1.002 -1.157) 3.696 4.909 ( 6.542 4.864 0.936) 8.206 5.080 ( 2.591 -6.685 0.867) 7.222 5.262 ( -0.343 5.171 -5.315) 7.424 5.414 ( -8.269 7.091 -1.381) 10.980 5.533 ( -9.127 -2.587 -0.849) 9.525 5.747 ( -4.972 -0.121 -6.691) 8.337 5.888 ( -4.392 -0.475 -4.484) 6.295 6.090 ( -1.178 1.450 10.144) 10.314 6.412 ( 7.779 -3.582 7.962) 11.693 6.581 ( 0.080 -8.291 -1.567) 8.439 6.646 ( -1.975 -4.564 -2.401) 5.522 6.974 ( -0.218 2.628 -0.435) 2.672 7.129 ( 4.259 -1.407 9.124) 10.167 7.300 ( 2.625 -6.784 -5.643) 9.206 7.333 ( 2.974 -1.899 -3.232) 4.785 7.474 ( -1.031 2.157 4.016) 4.674 7.695 ( 1.002 1.609 0.930) 2.111 7.807 ( -2.355 7.078 0.741) 7.496 7.950 ( 2.508 4.171 6.139) 7.834 8.281 ( -0.327 -0.966 -1.388) 1.723 8.419 ( -0.785 -4.533 1.463) 4.828 8.627 ( 1.167 -1.913 -6.298) 6.685 8.771 ( 0.510 -3.047 -0.527) 3.134 9.060 ( -1.858 5.066 -0.406) 5.411 9.113 ( -6.897 1.877 1.299) 7.264 9.187 ( 0.944 -1.679 1.612) 2.512 9.595 ( 0.281 -1.517 0.824) 1.749 10.010 ( -4.860 8.804 -1.227) 10.131 10.345 ( -9.716 -4.249 2.492) 10.893 11.047 ( -1.584 6.307 -0.508) 6.523 11.201 ( 3.080 -0.323 -3.231) 4.475 11.284 ( -3.601 -2.428 7.821) 8.946 11.559 ( -0.044 4.640 0.807) 4.710 11.725 ( 5.280 -2.207 -4.355) 7.191 11.885 ( -1.605 2.775 5.541) 6.402 12.630 ( 8.984 4.506 -2.318) 10.314 12.785 ( 5.101 6.234 -6.829) 10.560 13.809 ( 7.347 -0.741 0.885) 7.437 14.152 ( 5.480 2.678 -2.480) 6.584 14.243 ( 0.823 4.904 -0.301) 4.982 14.453 ( 11.450 -4.775 -5.303) 13.492 15.346 ( 8.032 4.005 10.396) 13.734 15.720 ( 8.467 0.602 5.063) 9.884 15.955 ( 9.473 -0.488 -2.634) 9.845 16.302 ( 10.860 -10.999 -0.864) 15.481 17.228 ( 0.511 -0.131 -6.503) 6.525 17.771 ( 3.628 -15.349 1.852) 15.881 18.862 ( 7.109 4.365 0.667) 8.369 19.333 ( -16.173 -7.841 7.162) 19.348 19.449 ( -0.276 -1.225 -1.501) 1.957 19.721 ( -5.466 -6.620 -4.316) 9.608 20.196 ( -16.916 5.401 -2.374) 17.916 21.205 ( -9.086 -13.139 0.743) 15.992 21.596 ( 10.448 3.987 0.293) 11.187 21.963 ( 10.005 -5.297 0.849) 11.352 22.389 ( 2.959 5.017 0.389) 5.837 22.704 ( -0.584 -3.376 0.041) 3.426 ======================= Grid point 160 (76/132) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -12.926 12.775 2.210) 18.308 1.751 ( -9.590 19.967 -8.346) 23.671 1.938 ( 1.440 9.035 6.356) 11.140 2.097 ( 2.695 11.626 -4.977) 12.930 2.599 ( -1.833 0.847 10.025) 10.226 2.864 ( -7.078 14.769 5.883) 17.403 3.242 ( 2.374 1.318 7.459) 7.938 3.417 ( -2.552 -2.580 -0.837) 3.724 3.518 ( -5.048 -3.566 -5.767) 8.453 3.619 ( 4.058 -5.769 -6.390) 9.517 3.877 ( -5.743 -5.833 -11.955) 14.489 3.909 ( 3.869 -8.404 -3.684) 9.958 4.390 ( 1.260 17.853 6.076) 18.901 4.473 ( 3.393 3.154 2.074) 5.076 4.777 ( 4.081 -4.672 -1.111) 6.302 5.038 ( 1.421 -0.845 2.025) 2.615 5.056 ( -4.152 -2.740 -0.635) 5.016 5.239 ( -0.840 9.229 -4.768) 10.422 5.272 ( -0.448 2.483 -2.689) 3.687 5.401 ( -2.547 -4.357 -3.411) 6.091 5.604 ( -5.571 0.646 -4.249) 7.036 5.812 ( -1.067 -1.555 -2.491) 3.124 6.135 ( 0.254 3.847 8.405) 9.247 6.484 ( -2.037 -2.710 2.104) 3.990 6.611 ( 1.116 -5.206 -3.092) 6.157 6.673 ( 4.724 -5.914 6.065) 9.699 6.939 ( -2.302 1.301 -1.154) 2.885 7.152 ( -4.907 0.740 -7.342) 8.862 7.290 ( 4.359 -8.930 2.771) 10.316 7.439 ( 3.225 -3.688 -2.496) 5.498 7.517 ( 3.602 2.025 7.071) 8.190 7.675 ( -4.242 0.372 2.787) 5.089 7.768 ( -1.627 6.762 2.422) 7.365 8.022 ( 1.046 1.248 5.217) 5.465 8.261 ( 0.282 3.205 -0.663) 3.285 8.433 ( -0.396 -5.311 2.942) 6.085 8.621 ( 1.731 -3.598 -4.964) 6.371 8.737 ( -3.682 0.121 1.839) 4.117 9.008 ( -1.627 8.698 -3.254) 9.428 9.050 ( -1.226 -1.011 -0.416) 1.642 9.262 ( 5.901 -3.495 2.383) 7.260 9.597 ( -0.976 -4.001 0.569) 4.157 9.934 ( -2.071 9.582 -0.475) 9.815 10.136 ( -11.432 -0.849 1.499) 11.561 10.992 ( -3.042 6.327 1.898) 7.272 11.208 ( -1.070 2.979 -3.302) 4.574 11.304 ( 1.424 0.341 6.802) 6.958 11.567 ( 1.006 2.709 -0.246) 2.900 11.809 ( 3.502 -0.506 -2.067) 4.098 11.870 ( -1.426 0.039 2.518) 2.894 12.756 ( 4.648 4.912 -2.148) 7.096 12.843 ( 3.888 6.606 -5.736) 9.574 13.951 ( 5.128 2.527 0.475) 5.736 14.201 ( 0.862 4.324 -0.185) 4.413 14.276 ( 4.166 5.209 -2.994) 7.312 14.654 ( 10.028 -3.944 -6.176) 12.420 15.579 ( 8.048 4.026 13.489) 16.215 15.851 ( 2.636 8.629 1.204) 9.103 16.134 ( 5.117 -1.587 4.535) 7.019 16.509 ( 12.154 -6.446 -4.347) 14.428 17.278 ( 10.991 -4.635 -11.244) 16.392 17.736 ( -11.347 -16.008 3.541) 19.939 18.921 ( -8.278 -0.451 -2.184) 8.573 19.119 ( -1.114 -4.514 6.323) 7.848 19.391 ( -6.890 -1.550 -0.655) 7.092 19.549 ( -3.998 -3.387 -6.968) 8.718 20.001 ( -3.421 7.018 9.230) 12.089 20.998 ( -10.083 -14.363 -4.112) 18.024 21.835 ( 12.223 2.542 0.887) 12.516 22.087 ( 1.037 -3.587 0.938) 3.850 22.459 ( 3.955 4.464 0.403) 5.978 22.666 ( -2.928 -1.666 -0.532) 3.410 ======================= Grid point 161 (77/132) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.300 12.963 -1.563) 13.060 1.762 ( -3.992 6.473 -9.842) 12.438 2.387 ( 5.999 16.636 5.933) 18.654 2.422 ( 1.138 10.450 2.255) 10.751 2.611 ( -0.441 -1.287 6.521) 6.662 3.098 ( -0.293 -15.807 -2.803) 16.056 3.121 ( 1.978 8.887 3.545) 9.771 3.266 ( -6.877 -2.414 -0.140) 7.290 3.442 ( -3.487 2.145 0.271) 4.103 3.577 ( 8.781 -7.608 -2.658) 11.919 3.631 ( -2.647 -0.551 -9.447) 9.827 3.766 ( 0.577 -6.023 -7.107) 9.333 4.565 ( 1.081 -1.624 3.009) 3.586 4.628 ( 1.340 -5.653 1.489) 5.997 4.892 ( 0.253 17.311 7.936) 19.045 5.063 ( -4.023 6.295 2.119) 7.766 5.135 ( 2.737 10.372 0.636) 10.746 5.241 ( -1.047 -2.568 -0.820) 2.893 5.265 ( -1.806 -0.823 -1.956) 2.787 5.377 ( -1.054 12.503 -11.369) 16.932 5.667 ( 5.006 3.516 1.575) 6.317 5.763 ( 0.424 -1.367 -0.566) 1.540 6.177 ( -1.141 -8.118 2.869) 8.685 6.287 ( 1.965 -19.292 -2.765) 19.588 6.428 ( -5.015 -0.907 2.301) 5.592 6.615 ( -1.065 -7.514 4.159) 8.654 6.961 ( -0.157 7.644 -5.572) 9.460 7.080 ( -2.318 4.613 -3.179) 6.063 7.258 ( 3.776 -5.809 3.303) 7.675 7.369 ( -1.446 -4.406 -2.830) 5.432 7.603 ( -1.148 0.134 1.775) 2.118 7.640 ( 3.269 -2.063 1.499) 4.145 7.876 ( -1.159 4.775 4.293) 6.525 7.977 ( -2.909 -2.372 2.825) 4.698 8.330 ( -2.936 1.882 1.430) 3.770 8.386 ( 2.590 -0.370 1.491) 3.011 8.651 ( 3.653 2.084 3.244) 5.311 8.746 ( 2.579 -1.183 5.516) 6.203 8.981 ( -2.796 0.959 -4.008) 4.980 9.092 ( -2.045 1.570 -5.299) 5.893 9.358 ( 5.183 -1.169 0.280) 5.321 9.402 ( -3.998 -4.330 -1.079) 5.991 10.067 ( -0.674 3.757 1.358) 4.052 10.083 ( 0.716 4.200 1.058) 4.390 11.118 ( -0.055 6.940 3.625) 7.830 11.252 ( 0.097 2.166 2.069) 2.997 11.399 ( 0.413 3.462 0.497) 3.521 11.586 ( 0.591 -2.407 -1.985) 3.175 11.796 ( -3.052 0.241 -1.096) 3.252 11.847 ( 2.409 -1.927 -1.810) 3.577 12.898 ( 0.955 4.178 -1.750) 4.629 12.951 ( 0.670 2.061 -3.104) 3.786 14.072 ( -1.770 5.155 1.379) 5.622 14.241 ( -0.749 -0.706 0.508) 1.148 14.446 ( 2.480 4.705 -2.918) 6.066 14.647 ( 1.943 -4.941 -5.312) 7.510 15.822 ( -2.506 5.307 13.196) 14.442 15.984 ( -8.632 -0.214 9.606) 12.916 16.181 ( 2.036 10.093 -2.561) 10.610 16.716 ( 14.848 -10.884 -14.452) 23.405 17.167 ( -12.605 0.908 4.214) 13.322 17.395 ( 6.019 -7.598 -5.484) 11.137 18.822 ( -1.774 2.178 2.203) 3.570 18.949 ( -3.111 -3.359 -3.543) 5.789 19.376 ( 1.426 0.802 1.152) 2.001 19.464 ( 1.415 -3.185 -0.518) 3.523 20.186 ( 3.303 4.923 8.048) 9.996 20.538 ( -3.179 -12.203 -5.925) 13.933 22.006 ( -4.431 0.185 1.370) 4.641 22.032 ( 3.273 -0.903 1.145) 3.583 22.579 ( 0.314 1.917 -0.088) 1.945 22.608 ( 0.514 -0.127 -1.099) 1.220 ======================= Grid point 162 (78/132) ======================= q-point: ( 0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 4.167 11.178 -4.872) 12.886 1.732 ( 6.162 9.030 -0.867) 10.967 2.424 ( 1.245 10.465 -2.482) 10.828 2.556 ( 6.112 13.602 4.439) 15.559 2.636 ( -1.436 -1.625 10.692) 10.910 2.997 ( -4.661 -10.031 -10.871) 15.509 3.121 ( -5.688 0.187 4.412) 7.201 3.158 ( -4.141 -4.876 8.355) 10.523 3.417 ( 0.036 -1.028 -5.307) 5.406 3.609 ( 2.459 -1.449 -1.236) 3.110 3.718 ( 6.710 -4.204 -10.684) 13.298 3.790 ( 8.241 -1.286 -3.113) 8.903 4.523 ( -4.559 -1.395 0.556) 4.800 4.723 ( 3.431 -9.416 0.040) 10.021 4.924 ( 1.065 19.876 8.742) 21.739 5.016 ( -2.273 9.857 3.555) 10.722 5.166 ( -0.398 11.599 -2.699) 11.915 5.232 ( 1.977 -1.640 -1.478) 2.964 5.274 ( 3.378 -4.502 -0.453) 5.647 5.367 ( 5.051 12.975 -5.972) 15.150 5.745 ( -0.838 1.786 -4.758) 5.151 5.784 ( 4.596 2.229 -0.719) 5.158 6.121 ( -4.308 -12.381 0.772) 13.132 6.339 ( 2.602 -21.492 -1.559) 21.705 6.377 ( -1.234 2.544 9.565) 9.974 6.589 ( -1.338 -8.901 1.547) 9.133 6.923 ( -1.215 8.608 -3.847) 9.507 7.062 ( -0.068 5.131 -1.178) 5.265 7.211 ( -5.149 -5.090 -1.766) 7.452 7.398 ( 1.223 -8.078 0.163) 8.172 7.582 ( -1.100 2.851 1.309) 3.324 7.685 ( 0.490 -1.196 -0.565) 1.411 7.931 ( 2.347 1.985 5.481) 6.284 8.001 ( 5.066 0.059 3.033) 5.905 8.250 ( -5.456 3.105 2.219) 6.658 8.393 ( -2.440 -2.039 0.239) 3.189 8.726 ( 0.356 4.533 1.863) 4.914 8.838 ( 3.494 -0.901 3.181) 4.811 8.932 ( 0.724 0.864 -0.448) 1.213 9.000 ( -3.103 -0.424 -5.902) 6.682 9.316 ( -1.944 1.607 -1.430) 2.899 9.480 ( 4.845 -5.940 0.812) 7.708 10.082 ( 2.009 5.172 0.588) 5.580 10.162 ( 5.681 1.211 1.479) 5.994 11.139 ( -0.459 7.368 4.110) 8.449 11.266 ( 0.965 5.785 -1.297) 6.007 11.399 ( -1.431 -1.238 4.331) 4.726 11.572 ( -0.802 -4.182 -2.661) 5.021 11.734 ( -2.063 2.270 -2.752) 4.121 11.881 ( 1.566 -2.537 -0.362) 3.003 12.875 ( -2.184 4.215 -2.145) 5.210 12.915 ( -2.524 2.605 -2.853) 4.615 14.005 ( -5.420 5.235 1.025) 7.605 14.219 ( -1.405 -1.870 -0.825) 2.480 14.396 ( -6.118 3.792 -1.884) 7.440 14.570 ( -7.308 -3.745 -3.627) 8.977 15.708 ( -12.978 8.657 12.174) 19.788 15.892 ( -4.019 -2.447 2.796) 5.473 16.097 ( -9.900 6.566 -0.812) 11.907 16.532 ( -21.335 -11.297 -4.389) 24.537 17.190 ( 11.230 3.329 -6.074) 13.195 17.466 ( 0.447 -9.754 0.696) 9.789 18.851 ( 3.723 2.749 -0.279) 4.636 18.990 ( 6.545 -3.139 1.656) 7.445 19.394 ( 0.502 2.028 0.763) 2.224 19.517 ( 4.487 -3.501 -3.051) 6.457 20.348 ( 7.087 -0.394 6.369) 9.536 20.548 ( 8.120 -9.357 -5.133) 13.410 21.865 ( -9.488 3.736 1.218) 10.269 22.025 ( -4.869 -4.174 1.171) 6.520 22.554 ( -1.416 2.874 -0.602) 3.260 22.633 ( 0.884 -1.153 -0.245) 1.473 ======================= Grid point 163 (79/132) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 8.497 8.666 -1.710) 12.256 1.920 ( 9.624 7.013 2.262) 12.121 2.487 ( 6.798 13.639 -2.798) 15.494 2.560 ( -4.311 4.005 -7.697) 9.688 2.734 ( 1.759 0.870 16.158) 16.276 2.864 ( -2.734 -6.525 1.336) 7.199 3.101 ( 1.821 -5.640 -0.285) 5.933 3.129 ( -1.871 -6.517 8.290) 10.710 3.360 ( -2.568 -1.478 -4.876) 5.706 3.607 ( 0.832 -7.604 -8.019) 11.082 3.823 ( 6.042 5.272 -1.570) 8.171 3.985 ( 11.478 -0.860 -5.407) 12.717 4.428 ( -4.218 2.101 0.450) 4.733 4.707 ( -2.643 -7.385 -1.834) 8.055 4.953 ( -4.777 10.404 -1.137) 11.504 5.021 ( -2.221 2.928 0.945) 3.795 5.157 ( 5.271 18.751 2.171) 19.598 5.310 ( 5.968 3.573 -3.746) 7.900 5.386 ( 7.411 -3.077 1.248) 8.121 5.467 ( 5.475 9.937 -0.131) 11.346 5.713 ( 1.548 4.855 -4.747) 6.964 5.812 ( 1.263 0.132 -4.264) 4.449 6.063 ( -2.474 -11.047 2.778) 11.657 6.381 ( 2.404 -19.654 4.069) 20.214 6.456 ( 2.864 -0.127 4.401) 5.252 6.623 ( 3.252 -7.684 4.068) 9.283 6.868 ( -3.361 5.725 -1.951) 6.919 7.011 ( -3.273 5.377 -2.062) 6.624 7.110 ( -5.074 -6.200 0.341) 8.019 7.352 ( -4.427 -6.964 -2.323) 8.573 7.572 ( -0.661 3.581 -0.198) 3.647 7.686 ( -0.694 -1.008 1.444) 1.893 7.951 ( -4.650 5.087 3.666) 7.806 8.152 ( 2.113 -4.519 0.081) 4.989 8.198 ( 2.892 4.888 5.318) 7.781 8.337 ( -0.297 -1.820 2.237) 2.899 8.655 ( -3.609 6.874 -8.254) 11.332 8.832 ( -3.486 -3.696 -4.293) 6.652 9.013 ( 6.465 -0.192 4.758) 8.030 9.023 ( 3.911 0.781 3.460) 5.280 9.304 ( 1.136 4.280 -1.449) 4.659 9.557 ( 2.538 -5.631 0.675) 6.214 10.147 ( 4.273 5.663 -0.330) 7.102 10.303 ( 7.129 -2.438 1.851) 7.758 11.117 ( -4.101 6.679 3.011) 8.396 11.264 ( -0.683 7.522 -2.058) 7.829 11.395 ( -2.138 -6.021 5.854) 8.666 11.538 ( -0.382 -4.147 -2.459) 4.836 11.683 ( -1.632 4.678 -3.519) 6.077 11.902 ( 0.300 -2.839 0.842) 2.976 12.786 ( -5.789 4.299 -1.795) 7.431 12.833 ( -3.581 3.237 -3.296) 5.845 13.881 ( -6.946 4.152 0.797) 8.131 14.166 ( -5.243 -5.505 -0.415) 7.613 14.213 ( -8.558 2.967 -4.544) 10.133 14.345 ( -12.705 -2.654 -0.517) 12.990 15.538 ( -9.868 8.411 8.921) 15.738 15.804 ( -17.445 -1.249 5.949) 18.473 15.819 ( -5.130 -0.976 -3.820) 6.470 16.105 ( -17.012 -9.183 -3.349) 19.620 17.337 ( 6.150 -1.021 -6.317) 8.875 17.444 ( -2.590 -6.215 3.007) 7.374 18.914 ( 2.086 5.390 0.701) 5.822 19.157 ( 6.412 -6.093 3.817) 9.634 19.423 ( 3.193 3.161 -1.414) 4.711 19.609 ( 6.349 -4.617 -3.573) 8.625 20.520 ( 10.227 0.235 -2.657) 10.569 20.761 ( 11.508 -9.565 2.429) 15.160 21.673 ( -9.819 4.575 1.029) 10.882 21.871 ( -10.600 -4.983 0.986) 11.754 22.517 ( -2.166 3.011 -0.531) 3.747 22.625 ( -1.762 -2.337 0.226) 2.936 ======================= Grid point 164 (80/132) ======================= q-point: ( 0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 12.100 6.504 1.234) 13.793 2.090 ( 5.987 5.553 2.414) 8.515 2.376 ( -6.086 3.701 -8.912) 11.409 2.660 ( 6.733 7.921 4.413) 11.294 2.726 ( -4.568 -8.775 2.511) 10.207 2.987 ( 7.317 -0.453 9.963) 12.369 3.140 ( 3.069 -4.355 -1.397) 5.508 3.206 ( -0.028 -7.634 11.356) 13.683 3.302 ( 2.894 4.219 -3.772) 6.356 3.596 ( 2.793 -6.800 -8.039) 10.893 3.889 ( 1.116 5.790 -1.930) 6.205 4.118 ( 4.153 -4.070 -6.478) 8.705 4.410 ( 2.563 4.338 1.097) 5.157 4.635 ( -3.979 -4.117 -1.072) 5.825 4.818 ( -5.566 4.157 -7.841) 10.475 4.904 ( -5.650 1.943 -0.938) 6.048 5.281 ( 4.056 8.911 -4.637) 10.833 5.399 ( 5.752 18.568 -2.580) 19.609 5.511 ( 2.907 0.382 4.373) 5.265 5.615 ( 7.696 3.653 5.037) 9.896 5.765 ( 4.531 3.290 -2.585) 6.167 5.869 ( 6.305 -3.361 -1.102) 7.229 6.060 ( 1.366 -5.524 2.569) 6.243 6.450 ( 2.368 -16.547 0.357) 16.719 6.499 ( 0.371 -0.181 -2.750) 2.781 6.717 ( 1.101 -7.478 0.488) 7.575 6.784 ( -2.665 2.978 7.185) 8.222 6.936 ( -4.111 -2.039 -1.778) 4.922 7.035 ( -1.653 0.393 4.076) 4.416 7.227 ( -6.146 -3.952 -3.058) 7.921 7.555 ( -0.426 1.545 -1.621) 2.279 7.660 ( -3.032 -0.653 2.664) 4.088 7.808 ( -10.031 2.990 2.796) 10.834 8.014 ( -10.179 -5.919 -2.008) 11.945 8.364 ( 6.509 5.163 3.797) 9.135 8.466 ( 6.470 -1.152 5.726) 8.716 8.559 ( 0.796 9.950 -8.950) 13.406 8.765 ( 0.278 -2.540 -5.104) 5.707 9.098 ( 1.781 1.915 3.916) 4.709 9.181 ( 6.175 -3.432 5.034) 8.674 9.333 ( 2.472 5.326 -1.069) 5.968 9.592 ( 1.139 -4.773 -0.973) 5.002 10.243 ( 5.595 5.532 -0.853) 7.914 10.454 ( 6.759 -4.228 2.429) 8.334 11.013 ( -7.137 5.161 1.582) 8.948 11.216 ( -3.833 3.242 1.134) 5.147 11.348 ( -4.618 -4.062 2.534) 6.651 11.549 ( 1.812 -4.993 -4.424) 6.912 11.629 ( -1.695 7.759 0.060) 7.943 11.899 ( -1.327 -5.152 1.081) 5.429 12.643 ( -7.292 6.280 -0.112) 9.624 12.750 ( -2.498 2.565 -4.328) 5.617 13.760 ( -6.511 0.302 3.892) 7.592 13.932 ( -13.022 -3.198 0.506) 13.418 14.110 ( -9.603 -2.073 -2.726) 10.196 14.117 ( -0.755 -4.591 -10.082) 11.104 15.375 ( -13.075 3.574 12.816) 18.654 15.481 ( -16.205 -1.418 7.679) 17.988 15.714 ( -3.698 -1.839 -3.171) 5.207 15.874 ( -3.839 -7.950 -8.295) 12.113 17.377 ( 1.440 -1.451 -3.810) 4.324 17.412 ( -2.300 -3.618 2.769) 5.104 18.951 ( 1.042 7.819 1.696) 8.068 19.228 ( 0.645 -4.302 -0.272) 4.359 19.520 ( 5.739 0.434 0.836) 5.815 19.711 ( 5.487 -5.730 -3.251) 8.574 20.726 ( 11.762 1.062 -3.731) 12.385 20.969 ( 7.095 -8.424 3.762) 11.639 21.506 ( -7.062 2.227 0.370) 7.414 21.645 ( -11.945 -4.180 0.836) 12.683 22.464 ( -2.904 2.263 0.189) 3.687 22.571 ( -3.347 -3.071 -0.193) 4.547 ======================= Grid point 165 (81/132) ======================= q-point: ( 0.40 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 3.263 1.193 1.994) 4.005 2.230 ( 7.487 2.630 2.115) 8.212 2.253 ( -0.915 2.953 -4.046) 5.092 2.641 ( -3.284 -7.513 -3.098) 8.765 2.778 ( 1.234 6.459 9.126) 11.249 3.087 ( -2.843 -6.747 6.272) 9.640 3.201 ( 0.552 1.850 2.579) 3.221 3.225 ( 3.170 2.474 0.678) 4.078 3.446 ( 7.346 0.770 -0.693) 7.419 3.662 ( 7.972 -4.452 -3.216) 9.681 3.854 ( -2.244 3.181 -4.698) 6.102 4.106 ( -1.279 -6.371 -5.392) 8.444 4.494 ( 3.038 1.705 1.066) 3.643 4.540 ( -3.200 -0.384 -0.377) 3.245 4.696 ( -1.832 4.540 -5.124) 7.086 4.838 ( -1.465 -1.963 -1.162) 2.711 5.304 ( 3.223 11.741 -5.640) 13.418 5.510 ( 5.132 14.857 -0.944) 15.746 5.576 ( 1.724 2.236 5.840) 6.487 5.729 ( -0.367 3.389 2.498) 4.226 5.849 ( 5.285 -1.022 2.883) 6.107 5.982 ( 2.337 -5.469 -1.561) 6.149 6.150 ( 7.228 4.276 -1.273) 8.494 6.405 ( -4.411 -0.703 -6.080) 7.545 6.520 ( 4.070 -9.590 -1.945) 10.598 6.646 ( -4.120 -10.846 -1.373) 11.683 6.817 ( -2.806 0.311 2.361) 3.680 6.860 ( -2.889 -4.744 1.360) 5.718 7.098 ( 4.727 0.233 4.883) 6.800 7.121 ( -2.032 -0.160 2.910) 3.553 7.529 ( -3.460 -1.722 -1.570) 4.171 7.603 ( -3.810 2.158 2.525) 5.055 7.638 ( -5.567 -2.825 3.044) 6.945 7.796 ( -9.381 -4.685 -2.770) 10.846 8.447 ( -0.229 4.911 0.066) 4.917 8.480 ( 1.964 4.724 -8.232) 9.693 8.692 ( 6.396 5.635 7.107) 11.098 8.803 ( 4.799 0.095 -1.545) 5.043 9.133 ( -0.148 3.257 3.641) 4.887 9.277 ( 1.355 -3.124 2.327) 4.124 9.390 ( 2.884 2.135 0.575) 3.634 9.596 ( 0.503 -4.156 -3.416) 5.403 10.354 ( 5.577 5.447 0.137) 7.797 10.578 ( 3.395 -3.720 1.415) 5.231 10.894 ( -3.875 3.122 1.636) 5.238 11.126 ( -6.474 -3.807 4.800) 8.913 11.266 ( -3.774 2.217 -1.397) 4.594 11.515 ( -0.759 1.130 -3.480) 3.737 11.661 ( 2.883 0.485 1.142) 3.139 11.845 ( -4.572 -8.997 -0.046) 10.093 12.522 ( -5.097 9.022 2.294) 10.613 12.698 ( 0.063 1.542 -5.137) 5.363 13.650 ( -7.110 -2.449 6.581) 9.993 13.733 ( -8.321 -5.327 3.605) 10.517 13.951 ( -1.967 -0.995 -10.082) 10.320 14.074 ( 3.588 -6.918 -14.566) 16.520 15.186 ( -12.660 -0.166 15.920) 20.341 15.265 ( -11.311 -3.727 13.111) 17.712 15.672 ( 2.116 -0.004 -7.374) 7.672 15.801 ( 0.337 -5.783 -8.819) 10.551 17.374 ( -1.503 -1.149 1.305) 2.298 17.383 ( -0.267 -1.810 -0.953) 2.063 18.968 ( -1.027 8.445 4.060) 9.426 19.230 ( 2.016 -2.735 -6.189) 7.061 19.619 ( 2.673 -0.841 3.362) 4.377 19.786 ( 3.587 -5.577 -2.923) 7.247 20.925 ( 9.424 -0.088 -2.006) 9.636 21.067 ( 1.037 -5.004 2.502) 5.690 21.403 ( -4.249 -1.196 -0.031) 4.414 21.440 ( -7.558 -3.427 0.837) 8.341 22.411 ( -2.955 1.379 1.864) 3.756 22.508 ( -1.940 -3.595 -1.766) 4.450 ======================= Grid point 166 (82/132) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -4.307 -0.640 0.654) 4.403 2.238 ( 4.413 -3.563 0.551) 5.698 2.391 ( 3.932 2.888 -0.154) 4.881 2.550 ( -4.849 -0.745 -2.262) 5.403 2.800 ( -4.065 4.892 8.895) 10.935 3.094 ( 2.137 -2.173 6.409) 7.097 3.131 ( -8.211 -0.111 1.972) 8.446 3.263 ( -0.219 -0.567 -2.234) 2.315 3.569 ( 6.043 4.953 -2.631) 8.244 3.760 ( -1.558 -0.552 -4.264) 4.573 3.835 ( 6.144 -2.569 -0.756) 6.702 4.029 ( -1.881 -7.609 -7.581) 10.904 4.478 ( -1.194 3.225 3.064) 4.606 4.579 ( 2.189 -1.615 -1.721) 3.219 4.703 ( 3.214 3.100 0.172) 4.469 4.798 ( -1.314 -1.140 -2.892) 3.375 5.374 ( 5.128 11.390 -0.252) 12.494 5.548 ( -2.339 17.288 -2.389) 17.609 5.643 ( 1.511 0.381 5.066) 5.300 5.696 ( -1.864 2.722 2.022) 3.869 5.906 ( -1.180 -0.162 2.252) 2.547 6.003 ( 2.612 -3.010 -1.473) 4.249 6.239 ( 0.600 1.563 -7.168) 7.361 6.307 ( -0.996 1.923 -4.145) 4.676 6.556 ( -3.404 -10.658 0.145) 11.190 6.619 ( 4.004 -8.855 0.647) 9.740 6.737 ( -5.174 -2.038 -1.483) 5.756 6.776 ( -1.536 -2.263 -2.434) 3.661 7.184 ( 2.355 -1.403 7.733) 8.204 7.218 ( 0.733 -3.156 6.055) 6.867 7.433 ( 0.833 1.361 1.921) 2.498 7.549 ( -2.410 -2.195 -0.223) 3.267 7.636 ( 0.624 -2.229 -1.707) 2.876 7.678 ( 1.184 -3.131 -0.464) 3.380 8.385 ( -3.783 7.053 -3.366) 8.682 8.496 ( 2.342 2.096 -5.796) 6.594 8.793 ( -0.392 6.080 6.262) 8.737 8.894 ( 3.215 1.561 1.844) 4.022 9.143 ( -0.689 3.495 3.985) 5.345 9.276 ( -1.792 -2.053 0.236) 2.735 9.422 ( -0.463 -0.017 1.305) 1.384 9.576 ( -0.167 -3.489 -4.629) 5.799 10.450 ( 2.555 4.472 2.566) 5.754 10.555 ( -4.319 -0.370 -2.017) 4.782 10.924 ( 3.995 0.569 2.002) 4.504 11.048 ( -2.850 -6.335 6.593) 9.577 11.194 ( -2.126 3.616 -1.747) 4.544 11.522 ( 2.632 -0.242 -2.154) 3.410 11.728 ( -0.681 -2.059 0.866) 2.335 11.739 ( -0.721 -7.640 -1.660) 7.852 12.468 ( -1.902 10.198 2.975) 10.792 12.695 ( 2.147 0.739 -4.834) 5.340 13.588 ( -2.082 -4.051 3.558) 5.780 13.621 ( -4.492 -5.978 6.073) 9.633 13.938 ( 6.527 0.478 -12.425) 14.043 14.110 ( 7.924 -7.345 -15.445) 18.850 15.068 ( -7.462 -0.697 15.295) 17.033 15.167 ( -6.579 -5.390 16.363) 18.441 15.702 ( 4.758 -0.469 -8.620) 9.857 15.785 ( 2.690 -4.114 -7.416) 8.897 17.343 ( -1.856 0.167 1.269) 2.254 17.391 ( 1.124 -2.282 -0.465) 2.586 18.954 ( -2.538 8.797 4.418) 10.166 19.250 ( 3.540 -3.583 -7.593) 9.112 19.658 ( -0.724 -0.620 3.927) 4.041 19.816 ( 0.876 -5.195 -2.681) 5.911 20.998 ( -4.554 0.065 2.066) 5.001 21.130 ( 9.055 -3.712 -3.902) 10.536 21.302 ( -4.746 -1.107 3.777) 6.166 21.393 ( -0.004 -4.935 -0.598) 4.971 22.372 ( -1.869 1.682 2.313) 3.417 22.492 ( 1.495 -4.405 -2.196) 5.144 ======================= Grid point 167 (83/132) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -4.163 4.820 0.764) 6.414 2.343 ( 2.869 -4.017 -2.892) 5.721 2.362 ( -8.525 3.479 2.451) 9.528 2.438 ( -0.420 -3.325 0.203) 3.357 2.769 ( -2.537 4.516 4.413) 6.805 2.959 ( -8.982 0.828 2.668) 9.407 3.171 ( -5.769 -0.508 -0.725) 5.836 3.198 ( 1.167 -6.247 7.770) 10.038 3.613 ( 1.102 4.423 -1.816) 4.907 3.782 ( 3.770 2.681 0.283) 4.635 3.868 ( -1.682 -4.718 -3.170) 5.927 4.017 ( 4.599 -7.037 -7.406) 11.204 4.480 ( -0.964 4.993 0.847) 5.155 4.552 ( -2.400 0.592 -3.554) 4.329 4.755 ( 2.031 0.507 -4.290) 4.773 4.803 ( 2.773 -1.935 -0.219) 3.389 5.409 ( -7.130 20.684 -3.427) 22.145 5.468 ( 1.315 10.391 -1.196) 10.542 5.616 ( -1.348 -1.314 2.142) 2.851 5.758 ( 1.676 4.829 8.677) 10.071 5.940 ( 0.913 0.861 2.641) 2.924 5.982 ( -1.690 -4.378 -3.539) 5.878 6.136 ( -6.979 -0.120 -3.927) 8.009 6.270 ( -0.527 1.758 -4.373) 4.743 6.446 ( -6.656 -10.084 -1.703) 12.202 6.614 ( -3.563 -11.038 -1.891) 11.752 6.732 ( 4.355 -0.064 4.107) 5.986 6.844 ( 7.329 -4.564 0.581) 8.654 7.168 ( -3.017 0.606 4.095) 5.122 7.256 ( 0.292 -4.783 2.911) 5.607 7.523 ( 2.746 2.402 0.069) 3.649 7.638 ( 4.822 2.104 2.110) 5.668 7.651 ( 8.036 -2.693 2.762) 8.914 7.772 ( 7.653 -4.391 -4.420) 9.868 8.277 ( -5.187 7.973 -1.803) 9.681 8.498 ( -0.316 -2.616 -2.219) 3.445 8.751 ( -4.964 7.075 0.691) 8.671 8.915 ( -2.378 0.766 0.757) 2.611 9.145 ( -1.432 2.740 4.157) 5.180 9.225 ( -3.470 -2.217 1.799) 4.494 9.391 ( -2.840 1.942 0.395) 3.463 9.551 ( -0.154 -3.210 -2.743) 4.225 10.405 ( -6.577 3.559 -1.568) 7.641 10.490 ( -2.930 -0.917 2.894) 4.219 11.001 ( 4.267 0.756 0.675) 4.385 11.118 ( 4.159 -5.310 6.338) 9.255 11.169 ( 0.215 4.175 -0.742) 4.246 11.555 ( 1.224 -9.636 -6.511) 11.693 11.659 ( -0.430 4.065 1.946) 4.527 11.827 ( 4.510 -1.523 0.991) 4.862 12.482 ( 2.449 9.819 1.042) 10.173 12.727 ( 3.488 0.369 -4.003) 5.323 13.569 ( 0.021 -3.044 3.213) 4.426 13.682 ( 6.910 -7.613 2.637) 10.614 14.057 ( 10.919 1.645 -10.268) 15.079 14.198 ( 7.848 -5.055 -12.115) 15.294 15.067 ( 0.178 0.135 11.891) 11.893 15.189 ( 0.521 -6.251 15.866) 17.061 15.749 ( 4.083 -0.338 -6.468) 7.657 15.840 ( 6.445 -4.546 -6.357) 10.130 17.317 ( -1.218 1.285 0.260) 1.789 17.421 ( 1.983 -4.268 0.103) 4.707 18.927 ( -1.808 9.301 2.759) 9.869 19.279 ( 2.573 -5.814 -4.748) 7.936 19.632 ( -3.844 -0.356 3.258) 5.051 19.789 ( -2.102 -5.406 -2.985) 6.524 20.864 ( -8.668 4.457 -0.814) 9.781 21.214 ( -3.798 -9.407 2.141) 10.368 21.342 ( 9.342 -0.853 -1.184) 9.455 21.420 ( 4.074 -2.737 1.179) 5.048 22.372 ( 1.057 3.090 1.175) 3.471 22.534 ( 3.249 -4.980 -1.068) 6.042 ======================= Grid point 168 (84/132) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -4.262 10.399 2.019) 11.419 2.153 ( -9.938 5.439 5.089) 12.419 2.274 ( -3.982 -1.355 -8.880) 9.826 2.555 ( 5.557 -11.850 0.382) 13.094 2.685 ( -7.435 7.123 1.227) 10.369 2.849 ( -4.109 8.710 4.650) 10.695 3.054 ( -3.795 -6.066 5.216) 8.854 3.249 ( -0.758 -9.290 6.281) 11.240 3.652 ( 2.446 2.819 1.728) 4.113 3.777 ( -2.154 2.259 -7.616) 8.231 3.833 ( -1.813 -2.497 -0.139) 3.089 4.043 ( 0.272 -6.598 -7.822) 10.237 4.420 ( -2.393 4.295 2.155) 5.368 4.557 ( 4.334 3.572 -4.774) 7.371 4.738 ( -0.731 2.365 -5.308) 5.857 4.869 ( 4.067 -4.936 -0.403) 6.409 5.256 ( -5.886 23.020 -1.876) 23.835 5.424 ( -1.789 6.968 -4.569) 8.522 5.649 ( -1.437 3.622 4.769) 6.159 5.715 ( -9.358 -0.461 2.739) 9.761 5.875 ( -4.111 1.319 -6.934) 8.168 5.968 ( -2.445 -0.723 -0.070) 2.550 6.040 ( -1.417 -2.823 5.158) 6.048 6.244 ( 1.193 3.197 2.758) 4.388 6.338 ( -2.651 -15.315 -2.943) 15.819 6.570 ( -0.917 -10.239 1.520) 10.392 6.846 ( 4.669 -0.069 3.473) 5.819 7.009 ( 7.965 -5.513 0.788) 9.719 7.161 ( 0.236 2.067 1.985) 2.876 7.276 ( 1.717 -4.203 -2.275) 5.079 7.554 ( 0.384 5.151 0.055) 5.166 7.698 ( 2.284 0.811 1.706) 2.964 7.879 ( 8.905 1.439 2.313) 9.312 7.915 ( 7.585 -0.030 -1.773) 7.790 8.193 ( -1.591 3.285 0.766) 3.729 8.428 ( -7.857 -6.272 3.846) 10.764 8.658 ( -1.457 5.129 -6.314) 8.264 8.816 ( -5.832 -0.788 -3.264) 6.729 9.138 ( -1.281 1.285 3.380) 3.836 9.163 ( -4.654 -1.336 4.927) 6.908 9.329 ( -3.023 5.225 -0.807) 6.090 9.541 ( -0.126 -3.614 -0.505) 3.652 10.264 ( -6.117 4.703 -1.711) 7.903 10.407 ( -6.848 -3.588 2.992) 8.290 11.115 ( 5.481 0.747 1.579) 5.752 11.173 ( 0.271 3.905 2.458) 4.622 11.222 ( 3.005 -1.118 1.065) 3.378 11.528 ( 0.694 -8.584 -4.234) 9.596 11.707 ( 3.123 7.336 -0.341) 7.981 11.900 ( 1.717 -0.850 1.658) 2.534 12.582 ( 7.354 7.757 -1.166) 10.752 12.788 ( 4.494 0.466 -3.429) 5.672 13.649 ( 6.923 0.588 1.342) 7.076 13.894 ( 12.618 -8.209 0.860) 15.078 14.225 ( 9.623 1.543 -5.442) 11.162 14.269 ( 4.274 -1.356 -6.624) 7.999 15.207 ( 8.368 2.641 7.624) 11.625 15.376 ( 11.052 -5.819 10.773) 16.495 15.812 ( 5.455 0.378 -3.432) 6.456 15.955 ( 7.858 -6.553 -4.453) 11.159 17.291 ( -1.282 2.096 -1.185) 2.728 17.469 ( 2.596 -7.289 0.154) 7.739 18.922 ( 0.432 8.751 1.325) 8.862 19.289 ( -1.037 -8.111 0.499) 8.193 19.540 ( -6.217 0.624 0.670) 6.285 19.706 ( -4.208 -6.040 -3.559) 8.177 20.644 ( -12.623 7.928 -1.919) 15.030 21.103 ( -8.278 -12.573 2.083) 15.197 21.490 ( 7.932 2.255 0.093) 8.247 21.619 ( 12.450 -4.156 1.032) 13.166 22.420 ( 3.083 4.197 0.167) 5.210 22.594 ( 2.849 -4.665 -0.160) 5.469 ======================= Grid point 169 (85/132) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -8.349 6.930 -1.276) 10.925 2.039 ( -5.321 1.462 3.097) 6.328 2.230 ( 3.850 9.474 -2.447) 10.515 2.443 ( -11.355 15.691 -1.324) 19.414 2.622 ( -2.977 -0.939 3.172) 4.450 2.868 ( 4.270 -5.340 1.203) 6.942 3.108 ( 3.867 -5.383 7.739) 10.190 3.250 ( -0.777 -10.703 3.331) 11.237 3.632 ( -5.006 1.414 -5.467) 7.546 3.718 ( -6.910 4.053 0.998) 8.072 3.755 ( 2.857 -2.845 -7.293) 8.333 3.943 ( -5.447 -4.945 -5.999) 9.493 4.438 ( 2.172 2.965 -0.074) 3.676 4.649 ( 5.078 -0.035 -0.212) 5.082 4.706 ( 0.843 7.560 -1.720) 7.799 4.957 ( 3.955 -3.642 2.244) 5.826 5.170 ( -1.950 18.989 -0.559) 19.097 5.361 ( -2.710 4.566 -3.940) 6.611 5.499 ( -11.258 -0.920 1.254) 11.365 5.584 ( -5.385 7.965 2.375) 9.903 5.755 ( -4.027 1.792 -8.752) 9.799 5.858 ( -5.254 -1.748 -4.230) 6.968 6.089 ( 1.399 -2.754 7.895) 8.478 6.284 ( 0.064 -16.201 -4.349) 16.775 6.380 ( 6.048 -2.201 9.700) 11.641 6.559 ( -1.865 -5.449 2.243) 6.181 6.956 ( 4.866 -0.600 1.709) 5.192 7.114 ( 1.976 -2.284 -3.962) 4.982 7.200 ( 2.473 -1.995 1.806) 3.655 7.291 ( 1.970 -2.550 -3.574) 4.812 7.553 ( -0.345 5.831 0.750) 5.889 7.719 ( -0.968 -0.016 0.089) 0.972 7.959 ( -1.485 7.077 3.703) 8.125 8.051 ( 3.830 5.653 5.196) 8.581 8.223 ( 0.070 -4.334 -1.191) 4.495 8.304 ( -1.263 -6.602 4.533) 8.108 8.607 ( -1.260 0.440 -6.582) 6.716 8.711 ( -1.740 -3.162 -2.691) 4.502 9.099 ( -3.529 0.400 3.411) 4.924 9.135 ( -0.519 0.922 1.393) 1.749 9.271 ( -1.826 7.010 -1.353) 7.369 9.532 ( -1.084 -4.765 0.673) 4.933 10.152 ( -4.483 5.113 -0.617) 6.828 10.269 ( -7.853 -2.916 2.086) 8.633 11.140 ( -2.219 3.163 2.914) 4.839 11.244 ( 1.222 -0.305 1.422) 1.899 11.273 ( 4.661 5.007 0.065) 6.840 11.546 ( 2.180 -5.153 -1.669) 5.839 11.760 ( 2.928 4.868 -2.320) 6.137 11.909 ( -1.511 -0.740 1.345) 2.154 12.733 ( 7.934 5.483 -1.899) 9.830 12.862 ( 4.626 1.062 -3.275) 5.767 13.845 ( 11.432 4.665 0.140) 12.348 14.135 ( 9.527 -5.193 -0.537) 10.863 14.306 ( 2.581 2.232 -2.627) 4.306 14.382 ( 9.001 -1.860 -2.101) 9.428 15.454 ( 11.589 6.684 6.775) 14.996 15.707 ( 16.229 -2.758 5.256) 17.280 15.941 ( 8.475 0.044 -1.011) 8.535 16.109 ( 10.564 -7.999 -2.923) 13.569 17.252 ( -1.209 2.697 -3.479) 4.565 17.512 ( 0.969 -10.607 0.261) 10.654 18.962 ( 2.779 5.425 0.554) 6.121 19.192 ( -10.997 -6.269 4.643) 13.483 19.439 ( -2.596 0.635 -1.355) 2.996 19.586 ( -5.708 -6.324 -4.574) 9.669 20.370 ( -13.058 11.044 -0.774) 17.120 20.916 ( -10.953 -15.073 0.674) 18.644 21.680 ( 10.430 4.266 1.066) 11.319 21.860 ( 10.434 -4.928 1.035) 11.585 22.484 ( 3.159 4.335 -0.375) 5.377 22.634 ( 0.957 -3.524 0.069) 3.652 ======================= Grid point 170 (86/132) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -7.078 9.132 -2.568) 11.836 1.930 ( -6.427 0.843 -6.785) 9.384 2.277 ( 0.383 20.970 3.232) 21.221 2.358 ( 3.421 13.069 3.846) 14.046 2.592 ( -1.228 -0.381 4.109) 4.306 2.981 ( 5.300 -6.163 4.416) 9.250 3.157 ( -1.119 -4.831 -0.841) 5.029 3.324 ( 3.602 -8.450 4.419) 10.194 3.488 ( -2.701 1.081 -8.583) 9.063 3.567 ( -6.387 0.848 -1.950) 6.732 3.780 ( -2.247 -3.766 -4.845) 6.535 3.784 ( -3.216 -3.483 -6.177) 7.786 4.490 ( 3.168 1.390 0.967) 3.592 4.654 ( -1.854 -5.915 -0.339) 6.208 4.808 ( 4.388 15.539 5.727) 17.132 5.039 ( 2.688 0.774 4.434) 5.242 5.150 ( -1.343 12.932 -1.104) 13.049 5.295 ( -1.480 0.457 -1.133) 1.919 5.320 ( -6.763 -0.945 0.115) 6.830 5.493 ( -3.742 12.077 -6.315) 14.133 5.638 ( -2.335 2.618 -4.054) 5.361 5.769 ( -1.671 -2.075 -1.296) 2.963 6.151 ( 1.197 -4.110 4.445) 6.171 6.276 ( 0.934 -18.873 -2.505) 19.061 6.511 ( -3.725 -1.760 1.114) 4.268 6.545 ( 4.496 -5.271 7.903) 10.510 7.009 ( -0.377 5.019 -5.222) 7.253 7.133 ( 4.075 -4.474 -0.933) 6.123 7.177 ( -3.240 0.900 -2.109) 3.970 7.361 ( 3.992 -4.917 0.193) 6.337 7.564 ( 1.210 2.955 1.812) 3.672 7.665 ( -3.783 -1.240 -0.240) 3.988 7.917 ( -4.580 6.340 5.288) 9.441 8.039 ( -4.783 0.150 4.794) 6.773 8.283 ( 5.772 -0.356 1.004) 5.869 8.351 ( 0.745 -2.671 1.247) 3.041 8.581 ( 2.052 0.438 -1.678) 2.687 8.700 ( 0.222 -3.443 1.845) 3.912 9.050 ( -2.674 0.950 -0.584) 2.897 9.131 ( -0.087 1.254 -1.992) 2.356 9.266 ( 2.756 4.690 -1.318) 5.597 9.491 ( -3.591 -5.690 0.526) 6.749 10.082 ( -2.379 5.028 0.591) 5.594 10.139 ( -5.680 0.702 1.462) 5.907 11.115 ( -1.439 5.678 2.734) 6.464 11.246 ( -0.989 -0.024 3.179) 3.329 11.364 ( 3.567 5.465 -0.882) 6.585 11.575 ( 1.383 -2.302 -1.402) 3.029 11.804 ( 2.826 0.678 -2.319) 3.718 11.864 ( -3.087 -0.971 0.090) 3.238 12.852 ( 4.723 4.314 -1.737) 6.629 12.926 ( 3.346 1.684 -3.270) 4.973 14.036 ( 5.831 5.679 0.512) 8.155 14.235 ( 1.411 -1.312 1.352) 2.353 14.367 ( 5.527 4.376 -3.631) 7.929 14.559 ( 8.852 -5.056 -3.587) 10.807 15.697 ( 7.280 7.525 10.819) 15.056 15.991 ( 6.510 0.017 6.235) 9.015 16.087 ( 5.795 2.554 1.168) 6.440 16.386 ( 20.102 -6.500 -9.060) 22.988 17.233 ( 2.436 0.490 -5.176) 5.741 17.471 ( -6.354 -10.830 0.513) 12.567 18.931 ( -8.892 1.501 -0.887) 9.061 19.040 ( -2.461 -3.490 2.622) 5.011 19.379 ( -3.648 0.398 -0.145) 3.672 19.473 ( -1.739 -3.803 -2.772) 5.017 20.177 ( -5.897 10.410 3.378) 12.432 20.698 ( -9.903 -14.977 -1.988) 18.064 21.889 ( 9.282 2.779 1.243) 9.769 22.013 ( 3.759 -3.598 1.186) 5.337 22.538 ( 2.684 3.353 -0.512) 4.325 22.631 ( -1.021 -1.743 -0.346) 2.050 ======================= Grid point 171 (87/132) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.872 -4.028 -3.406) 5.347 1.794 ( -0.872 4.028 -3.406) 5.347 2.543 ( 0.689 -2.929 -0.430) 3.039 2.543 ( 0.689 2.929 -0.430) 3.039 2.763 ( 1.720 -16.688 3.520) 17.142 2.763 ( 1.720 16.688 3.520) 17.142 3.221 ( -2.945 -4.508 1.287) 5.537 3.221 ( -2.945 4.508 1.287) 5.537 3.475 ( 1.576 -3.130 -0.569) 3.551 3.475 ( 1.576 3.130 -0.569) 3.551 3.669 ( 0.268 -3.732 -8.043) 8.871 3.669 ( 0.268 3.732 -8.043) 8.871 4.553 ( 0.647 -1.304 1.394) 2.015 4.553 ( 0.647 1.304 1.394) 2.015 5.073 ( 1.141 -4.223 4.091) 5.989 5.073 ( 1.141 4.223 4.091) 5.989 5.224 ( -3.053 -1.216 -0.639) 3.347 5.224 ( -3.053 1.216 -0.639) 3.347 5.505 ( 0.753 -13.063 1.033) 13.126 5.505 ( 0.753 13.063 1.033) 13.126 5.749 ( 3.141 -7.281 -0.404) 7.940 5.749 ( 3.141 7.281 -0.404) 7.940 5.966 ( -1.813 -4.163 -4.382) 6.310 5.966 ( -1.813 4.163 -4.382) 6.310 6.494 ( -2.761 -5.017 3.053) 6.490 6.494 ( -2.761 5.017 3.053) 6.490 7.103 ( 0.934 -5.831 -1.897) 6.203 7.103 ( 0.934 5.831 -1.897) 6.203 7.244 ( -0.442 -6.964 -1.645) 7.169 7.244 ( -0.442 6.964 -1.645) 7.169 7.612 ( 0.990 -0.792 1.089) 1.671 7.612 ( 0.990 0.792 1.089) 1.671 7.937 ( -2.296 -1.916 2.967) 4.213 7.937 ( -2.296 1.916 2.967) 4.213 8.367 ( 0.400 -1.771 0.700) 1.946 8.367 ( 0.400 1.771 0.700) 1.946 8.703 ( 3.578 -2.692 6.078) 7.549 8.703 ( 3.578 2.692 6.078) 7.549 9.040 ( -2.594 -4.495 -3.110) 6.051 9.040 ( -2.594 4.495 -3.110) 6.051 9.362 ( 0.324 -1.286 -2.558) 2.882 9.362 ( 0.324 1.286 -2.558) 2.882 10.115 ( -0.061 -0.748 1.747) 1.902 10.115 ( -0.061 0.748 1.747) 1.902 11.230 ( 0.537 -3.822 4.313) 5.788 11.230 ( 0.537 3.822 4.313) 5.788 11.501 ( -0.222 -5.574 -2.755) 6.222 11.501 ( -0.222 5.574 -2.755) 6.222 11.813 ( -0.050 -1.399 -1.737) 2.231 11.813 ( -0.050 1.399 -1.737) 2.231 12.955 ( 0.824 -1.432 -2.036) 2.622 12.955 ( 0.824 1.432 -2.036) 2.622 14.179 ( -1.651 -4.894 1.988) 5.535 14.179 ( -1.651 4.894 1.988) 5.535 14.546 ( 2.419 -5.115 -4.658) 7.329 14.546 ( 2.419 5.115 -4.658) 7.329 15.921 ( -4.974 -4.518 12.298) 14.014 15.921 ( -4.974 4.518 12.298) 14.014 16.447 ( 4.831 -14.482 -8.205) 17.332 16.447 ( 4.831 14.482 -8.205) 17.332 17.253 ( 0.006 -6.330 -1.825) 6.587 17.253 ( 0.006 6.330 -1.825) 6.587 18.880 ( -1.804 -3.391 -0.368) 3.859 18.880 ( -1.804 3.392 -0.368) 3.859 19.407 ( 1.180 -2.269 0.398) 2.588 19.407 ( 1.180 2.269 0.398) 2.588 20.324 ( -0.466 -8.904 0.150) 8.918 20.324 ( -0.466 8.904 0.150) 8.918 22.016 ( -0.554 -0.704 1.403) 1.664 22.016 ( -0.554 0.704 1.403) 1.664 22.603 ( 0.479 -0.549 -0.708) 1.016 22.603 ( 0.479 0.549 -0.708) 1.016 ======================= Grid point 173 (88/132) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.244 -2.507 -3.196) 5.874 1.808 ( 4.244 2.507 -3.196) 5.874 2.567 ( 1.609 -5.246 1.589) 5.713 2.567 ( 1.609 5.246 1.589) 5.713 2.809 ( 1.333 -9.967 2.569) 10.378 2.809 ( 1.333 9.967 2.569) 10.378 3.082 ( -9.265 -4.110 2.542) 10.449 3.082 ( -9.265 4.110 2.542) 10.449 3.493 ( -0.104 -6.872 -6.116) 9.200 3.493 ( -0.104 6.872 -6.116) 9.200 3.746 ( 10.021 -3.128 -3.480) 11.060 3.746 ( 10.021 3.128 -3.480) 11.060 4.564 ( -0.640 -5.446 0.282) 5.491 4.564 ( -0.640 5.446 0.282) 5.491 5.099 ( -0.780 -2.626 3.731) 4.628 5.099 ( -0.780 2.626 3.731) 4.628 5.208 ( 2.645 -1.479 -0.181) 3.036 5.208 ( 2.645 1.479 -0.181) 3.036 5.540 ( 1.650 -11.986 0.856) 12.129 5.540 ( 1.650 11.986 0.856) 12.129 5.796 ( 1.261 -4.528 -2.682) 5.412 5.796 ( 1.261 4.528 -2.682) 5.412 5.934 ( 1.416 -9.171 -3.033) 9.763 5.934 ( 1.416 9.171 -3.033) 9.763 6.456 ( -1.839 -5.082 4.977) 7.347 6.456 ( -1.839 5.082 4.977) 7.347 7.077 ( -2.995 -6.499 -1.924) 7.410 7.077 ( -2.995 6.499 -1.924) 7.410 7.223 ( -0.696 -8.486 -1.532) 8.651 7.223 ( -0.696 8.486 -1.532) 8.652 7.645 ( 1.015 -2.813 0.120) 2.993 7.645 ( 1.015 2.813 0.120) 2.993 7.973 ( 4.041 -2.207 3.756) 5.942 7.973 ( 4.041 2.207 3.756) 5.942 8.329 ( -4.306 -4.046 1.103) 6.010 8.329 ( -4.306 4.046 1.103) 6.010 8.799 ( 1.823 -2.728 3.872) 5.075 8.799 ( 1.823 2.728 3.872) 5.075 8.971 ( -1.315 -2.297 -3.036) 4.028 8.971 ( -1.315 2.297 -3.036) 4.028 9.376 ( 2.197 -4.206 -1.310) 4.923 9.376 ( 2.197 4.206 -1.310) 4.923 10.155 ( 3.026 -2.051 1.416) 3.920 10.155 ( 3.026 2.051 1.416) 3.920 11.268 ( 0.342 -4.858 4.949) 6.943 11.268 ( 0.342 4.858 4.949) 6.943 11.458 ( -2.032 -6.162 -3.248) 7.256 11.458 ( -2.032 6.162 -3.248) 7.256 11.808 ( 0.430 -4.274 -1.873) 4.686 11.808 ( 0.430 4.274 -1.873) 4.686 12.929 ( -2.271 -1.153 -2.047) 3.268 12.929 ( -2.271 1.153 -2.047) 3.268 14.129 ( -4.249 -6.308 1.090) 7.683 14.129 ( -4.249 6.308 1.090) 7.683 14.483 ( -6.576 -4.584 -3.129) 8.605 14.483 ( -6.576 4.584 -3.129) 8.605 15.832 ( -8.681 -4.029 8.813) 13.010 15.832 ( -8.681 4.029 8.813) 13.010 16.289 ( -15.074 -11.884 -4.954) 19.824 16.289 ( -15.074 11.884 -4.954) 19.824 17.298 ( 4.253 -7.061 -2.023) 8.488 17.298 ( 4.253 7.061 -2.023) 8.488 18.919 ( 4.956 -3.732 0.485) 6.223 18.919 ( 4.956 3.732 0.485) 6.223 19.447 ( 2.788 -3.217 -0.810) 4.333 19.447 ( 2.788 3.217 -0.810) 4.333 20.398 ( 7.392 -5.267 0.220) 9.080 20.398 ( 7.392 5.267 0.220) 9.080 21.943 ( -7.080 -4.045 1.316) 8.259 21.943 ( -7.080 4.045 1.316) 8.259 22.602 ( -0.389 -1.934 -0.531) 2.042 22.602 ( -0.389 1.934 -0.531) 2.042 ======================= Grid point 175 (89/132) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 8.592 -6.207 -3.047) 11.029 1.922 ( 8.592 6.207 -3.047) 11.029 2.603 ( -1.700 -3.837 3.528) 5.482 2.603 ( -1.700 3.837 3.528) 5.482 2.822 ( -0.038 -5.447 -0.293) 5.455 2.822 ( -0.038 5.447 -0.293) 5.455 2.992 ( -0.594 -3.544 9.082) 9.767 2.992 ( -0.594 3.544 9.082) 9.767 3.446 ( 0.499 -7.573 -9.578) 12.220 3.446 ( 0.499 7.573 -9.578) 12.220 3.930 ( 8.413 -4.491 -2.224) 9.792 3.930 ( 8.413 4.491 -2.224) 9.792 4.533 ( -1.708 -8.000 -0.063) 8.181 4.533 ( -1.708 8.000 -0.063) 8.181 5.047 ( -5.777 -1.589 -1.870) 6.277 5.047 ( -5.777 1.589 -1.870) 6.277 5.317 ( 7.399 -3.810 -0.454) 8.335 5.317 ( 7.399 3.810 -0.454) 8.335 5.596 ( 3.789 -8.889 3.958) 10.442 5.596 ( 3.789 8.889 3.958) 10.442 5.784 ( -0.034 -1.163 -6.742) 6.841 5.784 ( -0.034 1.163 -6.742) 6.841 5.980 ( 4.235 -14.114 1.042) 14.772 5.980 ( 4.235 14.114 1.042) 14.772 6.501 ( 2.579 -4.119 6.365) 8.008 6.501 ( 2.579 4.119 6.365) 8.008 6.975 ( -6.019 -5.408 -0.771) 8.128 6.975 ( -6.019 5.408 -0.771) 8.128 7.185 ( -2.328 -8.950 -2.040) 9.470 7.185 ( -2.328 8.950 -2.040) 9.470 7.644 ( -0.965 -3.115 -0.057) 3.261 7.644 ( -0.965 3.115 -0.057) 3.261 8.054 ( -2.369 -5.055 2.132) 5.976 8.054 ( -2.369 5.055 2.132) 5.976 8.282 ( 2.523 -3.395 3.500) 5.490 8.282 ( 2.523 3.395 3.500) 5.490 8.763 ( -2.744 -3.791 -6.414) 7.940 8.763 ( -2.744 3.791 -6.414) 7.940 9.019 ( 4.284 -0.740 4.462) 6.230 9.019 ( 4.284 0.740 4.462) 6.230 9.424 ( 2.583 -7.060 -0.149) 7.519 9.424 ( 2.583 7.060 -0.149) 7.519 10.241 ( 4.908 -3.841 0.825) 6.287 10.241 ( 4.908 3.841 0.825) 6.287 11.260 ( -4.824 -7.136 4.663) 9.795 11.260 ( -4.824 7.136 4.663) 9.795 11.414 ( 0.113 -7.120 -3.110) 7.771 11.414 ( 0.113 7.120 -3.110) 7.771 11.806 ( 0.013 -6.215 -1.585) 6.414 11.806 ( 0.013 6.215 -1.585) 6.414 12.849 ( -4.509 -1.594 -1.895) 5.144 12.849 ( -4.509 1.594 -1.895) 5.144 14.015 ( -7.740 -8.311 0.054) 11.358 14.015 ( -7.740 8.312 0.054) 11.358 14.280 ( -11.089 -3.532 -1.834) 11.782 14.280 ( -11.089 3.532 -1.834) 11.782 15.694 ( -10.530 -6.648 7.124) 14.347 15.694 ( -10.530 6.648 7.124) 14.347 15.925 ( -15.526 -7.918 -4.035) 17.889 15.925 ( -15.526 7.918 -4.035) 17.889 17.355 ( 2.102 -2.751 -1.383) 3.728 17.355 ( 2.102 2.751 -1.383) 3.728 19.032 ( 4.723 -6.228 1.787) 8.017 19.032 ( 4.723 6.228 1.787) 8.017 19.508 ( 4.304 -5.035 -2.491) 7.077 19.508 ( 4.304 5.035 -2.491) 7.077 20.592 ( 11.193 -6.571 0.112) 12.979 20.592 ( 11.193 6.571 0.112) 12.979 21.771 ( -10.372 -4.994 1.210) 11.575 21.771 ( -10.372 4.994 1.210) 11.575 22.574 ( -2.287 -2.678 -0.267) 3.532 22.574 ( -2.287 2.678 -0.267) 3.532 ======================= Grid point 177 (90/132) ======================= q-point: ( 0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 9.052 -4.905 -2.027) 10.493 2.094 ( 9.052 4.905 -2.027) 10.493 2.500 ( -6.075 -9.903 -2.048) 11.797 2.500 ( -6.075 9.903 -2.048) 11.797 2.876 ( 1.240 -10.166 8.733) 13.459 2.876 ( 1.240 10.166 8.733) 13.459 3.114 ( 5.839 -2.165 9.911) 11.706 3.114 ( 5.839 2.165 9.911) 11.706 3.436 ( 4.593 -8.269 -10.287) 13.975 3.436 ( 4.593 8.269 -10.287) 13.975 4.016 ( 1.493 -6.043 -3.584) 7.183 4.016 ( 1.493 6.043 -3.584) 7.183 4.520 ( 0.339 -6.297 -0.275) 6.312 4.520 ( 0.339 6.297 -0.275) 6.312 4.885 ( -6.833 -2.636 -4.951) 8.841 4.885 ( -6.833 2.636 -4.951) 8.841 5.443 ( 4.700 -6.108 -1.032) 7.776 5.443 ( 4.700 6.108 -1.032) 7.776 5.714 ( 2.860 -10.321 2.044) 10.904 5.714 ( 2.860 10.321 2.044) 10.904 5.767 ( 4.461 -5.459 -1.800) 7.276 5.767 ( 4.461 5.459 -1.800) 7.276 6.109 ( 7.425 -13.162 1.504) 15.187 6.109 ( 7.425 13.162 1.504) 15.187 6.563 ( -0.142 -6.107 0.016) 6.108 6.563 ( -0.142 6.107 0.016) 6.108 6.862 ( -4.866 -4.406 3.610) 7.492 6.862 ( -4.866 4.406 3.610) 7.492 7.123 ( -2.421 -5.932 -1.017) 6.488 7.123 ( -2.421 5.932 -1.017) 6.488 7.607 ( -2.749 -3.385 0.192) 4.365 7.607 ( -2.749 3.385 0.192) 4.365 7.901 ( -10.563 -5.462 0.256) 11.894 7.901 ( -10.563 5.462 0.256) 11.894 8.434 ( 6.501 -2.201 4.375) 8.139 8.434 ( 6.501 2.201 4.375) 8.139 8.704 ( 1.847 -4.456 -6.745) 8.292 8.704 ( 1.847 4.456 -6.745) 8.292 9.129 ( 3.630 -1.716 4.741) 6.212 9.129 ( 3.630 1.716 4.741) 6.212 9.466 ( 1.742 -7.228 -0.549) 7.455 9.466 ( 1.742 7.228 -0.549) 7.455 10.353 ( 5.797 -5.483 0.810) 8.021 10.353 ( 5.797 5.483 0.810) 8.021 11.140 ( -8.524 -6.949 3.560) 11.560 11.140 ( -8.524 6.949 3.560) 11.560 11.418 ( 1.136 -7.166 -2.800) 7.777 11.418 ( 1.136 7.166 -2.800) 7.777 11.779 ( -2.274 -6.880 -0.787) 7.289 11.779 ( -2.274 6.880 -0.787) 7.289 12.746 ( -4.536 -3.137 -1.211) 5.646 12.746 ( -4.536 3.137 -1.211) 5.646 13.829 ( -10.946 -5.872 2.737) 12.720 13.829 ( -10.946 5.872 2.737) 12.720 14.077 ( -6.323 -0.782 -6.873) 9.372 14.077 ( -6.323 0.782 -6.873) 9.372 15.442 ( -17.587 -2.712 12.018) 21.473 15.442 ( -17.587 2.712 12.018) 21.473 15.741 ( -1.502 -4.559 -7.879) 9.226 15.741 ( -1.502 4.559 -7.879) 9.226 17.370 ( 0.157 -0.777 -0.462) 0.918 17.370 ( 0.157 0.777 -0.462) 0.918 19.105 ( 1.712 -7.351 1.665) 7.729 19.105 ( 1.712 7.351 1.665) 7.729 19.590 ( 5.047 -5.633 -2.401) 7.935 19.590 ( 5.047 5.633 -2.401) 7.935 20.809 ( 10.004 -6.701 -0.192) 12.043 20.809 ( 10.004 6.701 -0.192) 12.043 21.567 ( -10.222 -3.607 1.128) 10.898 21.567 ( -10.222 3.607 1.128) 10.898 22.513 ( -3.486 -2.659 -0.119) 4.386 22.513 ( -3.486 2.659 -0.119) 4.386 ======================= Grid point 179 (91/132) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.283 -2.057 0.253) 2.092 2.191 ( 0.283 2.057 0.253) 2.092 2.444 ( 2.586 -10.958 -3.682) 11.846 2.444 ( 2.586 10.958 -3.682) 11.846 2.928 ( -0.819 -8.228 9.698) 12.745 2.928 ( -0.819 8.228 9.698) 12.745 3.235 ( 0.123 -1.127 7.147) 7.237 3.235 ( 0.123 1.127 7.147) 7.237 3.538 ( 9.938 -6.937 -7.370) 14.185 3.538 ( 9.938 6.937 -7.370) 14.185 3.968 ( -2.872 -7.056 -5.425) 9.352 3.968 ( -2.872 7.056 -5.425) 9.352 4.523 ( 0.073 -1.236 -0.322) 1.279 4.523 ( 0.073 1.236 -0.322) 1.279 4.777 ( -1.633 -3.699 -2.933) 4.995 4.777 ( -1.633 3.699 -2.933) 4.995 5.494 ( 1.918 -7.014 -0.630) 7.299 5.494 ( 1.918 7.014 -0.630) 7.299 5.759 ( 2.552 -7.368 0.671) 7.827 5.759 ( 2.552 7.369 0.671) 7.827 5.883 ( 4.066 -6.232 1.465) 7.583 5.883 ( 4.066 6.232 1.465) 7.584 6.270 ( 7.608 -9.316 0.186) 12.030 6.270 ( 7.608 9.316 0.186) 12.030 6.474 ( -5.230 -5.502 -5.649) 9.462 6.474 ( -5.230 5.502 -5.649) 9.462 6.819 ( -3.107 -0.405 2.687) 4.128 6.819 ( -3.107 0.405 2.687) 4.128 7.110 ( 1.172 -0.770 3.185) 3.480 7.110 ( 1.172 0.770 3.185) 3.480 7.541 ( -4.065 -2.903 0.241) 5.001 7.541 ( -4.065 2.903 0.241) 5.001 7.706 ( -7.725 -4.546 0.184) 8.965 7.706 ( -7.725 4.546 0.184) 8.965 8.507 ( 0.718 -1.062 -1.659) 2.096 8.507 ( 0.718 1.062 -1.659) 2.096 8.787 ( 6.601 -2.604 0.488) 7.112 8.787 ( 6.601 2.604 0.488) 7.112 9.199 ( 0.801 -3.733 3.992) 5.524 9.199 ( 0.801 3.733 3.992) 5.524 9.487 ( 0.970 -6.139 -1.709) 6.446 9.487 ( 0.970 6.139 -1.709) 6.446 10.470 ( 4.812 -6.134 1.562) 7.952 10.470 ( 4.812 6.134 1.562) 7.952 10.995 ( -7.124 -6.625 3.849) 10.462 10.995 ( -7.124 6.625 3.849) 10.462 11.412 ( -0.020 -8.994 -4.685) 10.141 11.412 ( -0.020 8.994 -4.685) 10.141 11.717 ( -2.997 -4.530 0.530) 5.457 11.717 ( -2.997 4.530 0.530) 5.457 12.670 ( -2.520 -4.777 -0.280) 5.408 12.670 ( -2.520 4.777 -0.280) 5.408 13.650 ( -8.835 -2.462 5.590) 10.741 13.650 ( -8.835 2.462 5.590) 10.741 13.968 ( 1.164 -3.102 -13.244) 13.652 13.968 ( 1.164 3.102 -13.244) 13.652 15.206 ( -13.146 -2.070 15.165) 20.177 15.206 ( -13.146 2.070 15.165) 20.177 15.707 ( 2.049 -3.372 -8.822) 9.664 15.707 ( 2.049 3.372 -8.822) 9.664 17.364 ( -0.480 -0.195 0.181) 0.549 17.364 ( -0.480 0.195 0.181) 0.549 19.128 ( 0.148 -7.078 0.778) 7.122 19.128 ( 0.148 7.078 0.778) 7.122 19.669 ( 3.642 -5.171 -1.400) 6.478 19.669 ( 3.642 5.171 -1.400) 6.478 20.969 ( 6.211 -4.140 -0.720) 7.499 20.969 ( 6.211 4.140 -0.720) 7.499 21.399 ( -6.991 -0.877 1.335) 7.172 21.399 ( -6.991 0.877 1.335) 7.172 22.448 ( -2.686 -2.376 -0.109) 3.588 22.448 ( -2.686 2.376 -0.109) 3.588 ======================= Grid point 181 (92/132) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -0.423 -2.119 0.657) 2.259 2.176 ( -0.423 2.120 0.657) 2.259 2.480 ( 1.157 -5.001 -3.351) 6.130 2.480 ( 1.157 5.001 -3.351) 6.130 2.940 ( -4.183 -8.364 10.497) 14.058 2.940 ( -4.183 8.364 10.497) 14.058 3.215 ( -3.346 -3.929 1.845) 5.481 3.215 ( -3.346 3.929 1.845) 5.481 3.684 ( 6.254 -5.735 -3.024) 9.008 3.684 ( 6.254 5.735 -3.024) 9.008 3.885 ( -0.880 -6.111 -7.057) 9.377 3.885 ( -0.880 6.111 -7.057) 9.377 4.536 ( 1.112 -2.584 0.580) 2.872 4.536 ( 1.112 2.584 0.580) 2.872 4.761 ( 0.620 -2.491 -2.171) 3.362 4.761 ( 0.620 2.492 -2.171) 3.362 5.537 ( 1.661 -5.865 2.799) 6.707 5.537 ( 1.661 5.865 2.799) 6.707 5.808 ( 2.053 -2.171 -1.092) 3.181 5.808 ( 2.053 2.171 -1.092) 3.181 5.915 ( -0.959 -3.965 0.848) 4.167 5.915 ( -0.959 3.965 0.848) 4.167 6.291 ( -4.000 -4.755 -4.911) 7.920 6.291 ( -4.000 4.755 -4.911) 7.920 6.453 ( 3.676 -4.895 0.016) 6.121 6.453 ( 3.676 4.895 0.016) 6.121 6.740 ( -3.616 -1.392 -1.668) 4.218 6.740 ( -3.616 1.392 -1.668) 4.218 7.178 ( 1.083 -0.868 5.902) 6.063 7.178 ( 1.083 0.868 5.902) 6.063 7.480 ( 0.823 -3.402 -1.081) 3.663 7.480 ( 0.823 3.402 -1.081) 3.663 7.637 ( -0.088 -1.342 0.997) 1.674 7.637 ( -0.088 1.342 0.997) 1.674 8.483 ( -1.517 -2.891 -3.113) 4.511 8.483 ( -1.517 2.891 -3.113) 4.511 8.894 ( 2.107 -2.613 2.694) 4.304 8.894 ( 2.107 2.613 2.694) 4.304 9.207 ( -1.744 -3.492 3.445) 5.206 9.207 ( -1.744 3.492 3.445) 5.206 9.486 ( 0.033 -4.909 -2.211) 5.385 9.486 ( 0.033 4.909 -2.211) 5.385 10.523 ( -1.132 -2.750 1.724) 3.438 10.523 ( -1.132 2.750 1.724) 3.438 10.944 ( 0.191 -2.623 5.325) 5.939 10.944 ( 0.191 2.623 5.325) 5.939 11.366 ( -0.906 -11.151 -6.871) 13.129 11.366 ( -0.906 11.151 -6.871) 13.129 11.702 ( 1.142 -1.899 1.397) 2.619 11.702 ( 1.142 1.899 1.397) 2.619 12.643 ( -0.233 -6.198 0.075) 6.203 12.643 ( -0.233 6.198 0.075) 6.203 13.550 ( -3.715 -0.702 4.724) 6.051 13.550 ( -3.715 0.702 4.724) 6.051 13.987 ( 8.105 -4.496 -14.516) 17.223 13.987 ( 8.106 4.496 -14.516) 17.223 15.087 ( -7.435 -2.547 16.284) 18.082 15.087 ( -7.435 2.547 16.284) 18.082 15.720 ( 3.890 -2.217 -8.343) 9.469 15.720 ( 3.890 2.218 -8.343) 9.469 17.357 ( -0.376 -1.218 0.400) 1.335 17.357 ( -0.376 1.218 0.400) 1.335 19.127 ( -0.404 -8.043 0.387) 8.063 19.127 ( -0.404 8.043 0.387) 8.063 19.707 ( 0.642 -4.862 -0.926) 4.991 19.707 ( 0.642 4.862 -0.926) 4.991 21.045 ( 1.863 -4.075 -1.484) 4.720 21.045 ( 1.863 4.075 -1.484) 4.720 21.317 ( -1.776 -2.445 1.969) 3.607 21.317 ( -1.776 2.445 1.969) 3.607 22.418 ( -0.079 -2.979 -0.135) 2.984 22.418 ( -0.079 2.979 -0.135) 2.984 ======================= Grid point 183 (93/132) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 2.845 -7.548 0.698) 8.096 2.203 ( 2.845 7.548 0.698) 8.096 2.413 ( -6.528 -1.583 -4.123) 7.882 2.413 ( -6.528 1.584 -4.123) 7.882 2.893 ( -4.381 -6.777 9.505) 12.468 2.893 ( -4.381 6.777 9.505) 12.468 3.145 ( -5.426 -1.114 3.558) 6.583 3.145 ( -5.426 1.114 3.558) 6.583 3.729 ( 0.938 -6.359 -3.283) 7.218 3.729 ( 0.938 6.359 -3.283) 7.218 3.890 ( 3.646 -5.441 -5.070) 8.282 3.890 ( 3.646 5.441 -5.070) 8.282 4.545 ( -0.566 -1.622 -0.928) 1.952 4.545 ( -0.566 1.622 -0.928) 1.952 4.770 ( 1.836 -1.288 -3.446) 4.111 4.770 ( 1.836 1.288 -3.446) 4.111 5.575 ( 0.149 -2.289 3.669) 4.327 5.575 ( 0.149 2.289 3.669) 4.327 5.766 ( -4.007 -9.617 -5.477) 11.770 5.766 ( -4.007 9.617 -5.477) 11.770 5.945 ( 2.415 -1.786 4.191) 5.156 5.945 ( 2.415 1.786 4.191) 5.156 6.173 ( -6.446 -6.645 -0.917) 9.303 6.173 ( -6.446 6.645 -0.917) 9.303 6.418 ( -4.626 -6.559 -4.206) 9.061 6.418 ( -4.626 6.559 -4.206) 9.061 6.767 ( 5.531 -2.998 2.334) 6.710 6.767 ( 5.531 2.998 2.334) 6.710 7.189 ( -0.819 -1.952 2.751) 3.471 7.189 ( -0.819 1.952 2.751) 3.471 7.586 ( 6.620 -3.566 0.450) 7.533 7.586 ( 6.620 3.566 0.450) 7.533 7.694 ( 6.474 -3.351 0.116) 7.291 7.694 ( 6.474 3.351 0.116) 7.291 8.414 ( -4.316 -5.577 -1.304) 7.172 8.414 ( -4.316 5.577 -1.304) 7.172 8.879 ( -4.018 -4.648 -0.405) 6.157 8.879 ( -4.018 4.648 -0.405) 6.157 9.181 ( -2.701 -1.508 4.368) 5.352 9.181 ( -2.701 1.508 4.368) 5.352 9.468 ( -0.707 -4.710 -1.576) 5.017 9.468 ( -0.707 4.710 -1.576) 5.017 10.457 ( -5.578 -2.166 1.373) 6.139 10.457 ( -5.578 2.166 1.373) 6.139 11.031 ( 4.333 -2.886 5.603) 7.648 11.031 ( 4.333 2.886 5.603) 7.648 11.332 ( 1.421 -10.530 -6.217) 12.310 11.332 ( 1.421 10.530 -6.217) 12.310 11.763 ( 3.958 -4.591 0.468) 6.079 11.763 ( 3.958 4.591 0.468) 6.079 12.661 ( 2.235 -6.920 -0.342) 7.281 12.661 ( 2.235 6.921 -0.342) 7.281 13.567 ( 3.792 -3.140 2.473) 5.510 13.567 ( 3.792 3.140 2.473) 5.510 14.111 ( 10.584 -3.648 -11.427) 15.997 14.111 ( 10.584 3.648 -11.427) 15.997 15.096 ( 0.527 -3.011 14.164) 14.490 15.096 ( 0.527 3.011 14.164) 14.490 15.769 ( 5.065 -2.337 -6.512) 8.575 15.769 ( 5.065 2.337 -6.512) 8.575 17.355 ( -0.043 -2.523 0.187) 2.530 17.355 ( -0.043 2.523 0.187) 2.530 19.119 ( -0.678 -9.419 0.735) 9.471 19.119 ( -0.678 9.419 0.735) 9.471 19.681 ( -2.593 -4.613 -1.346) 5.460 19.681 ( -2.593 4.613 -1.346) 5.460 21.009 ( -4.988 -9.476 -0.957) 10.751 21.009 ( -4.988 9.476 -0.957) 10.751 21.368 ( 5.945 -2.317 1.563) 6.569 21.368 ( 5.945 2.317 1.563) 6.569 22.443 ( 2.525 -4.026 -0.110) 4.754 22.443 ( 2.525 4.026 -0.110) 4.754 ======================= Grid point 185 (94/132) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -10.424 -4.460 -2.495) 11.609 2.192 ( -10.424 4.460 -2.495) 11.609 2.311 ( 6.124 -9.005 -0.266) 10.894 2.311 ( 6.124 9.006 -0.266) 10.894 2.870 ( -4.406 -9.912 6.729) 12.765 2.870 ( -4.406 9.912 6.729) 12.765 3.052 ( -4.575 -10.011 5.012) 12.094 3.052 ( -4.575 10.011 5.012) 12.094 3.726 ( 0.337 -4.245 -3.426) 5.465 3.726 ( 0.337 4.245 -3.426) 5.465 3.906 ( -0.234 -6.619 -4.555) 8.038 3.906 ( -0.234 6.619 -4.555) 8.038 4.523 ( -0.410 -5.165 -0.448) 5.200 4.523 ( -0.410 5.165 -0.448) 5.200 4.798 ( 3.383 -3.116 -4.526) 6.453 4.798 ( 3.383 3.116 -4.526) 6.453 5.553 ( -3.449 -4.007 -3.105) 6.131 5.553 ( -3.449 4.007 -3.105) 6.131 5.669 ( -4.391 -8.647 2.241) 9.954 5.669 ( -4.391 8.647 2.241) 9.954 5.950 ( -3.769 -2.168 -1.291) 4.536 5.950 ( -3.769 2.168 -1.291) 4.536 6.048 ( -4.838 -9.421 1.253) 10.664 6.048 ( -4.838 9.421 1.253) 10.664 6.364 ( 1.033 -8.808 1.894) 9.068 6.364 ( 1.033 8.808 1.894) 9.068 6.900 ( 5.812 -4.721 2.335) 7.844 6.900 ( 5.812 4.721 2.335) 7.844 7.206 ( 1.690 -2.733 -0.644) 3.277 7.206 ( 1.690 2.733 -0.644) 3.277 7.663 ( 1.721 -4.479 0.503) 4.825 7.663 ( 1.721 4.479 0.503) 4.825 7.897 ( 11.821 -0.882 -0.172) 11.855 7.897 ( 11.821 0.882 -0.172) 11.855 8.299 ( -7.479 -6.343 2.815) 10.202 8.299 ( -7.479 6.343 2.815) 10.202 8.760 ( -5.587 -4.482 -4.801) 8.623 8.760 ( -5.587 4.482 -4.801) 8.623 9.151 ( -2.734 -0.612 4.598) 5.385 9.151 ( -2.734 0.612 4.598) 5.385 9.443 ( -1.204 -5.766 -0.504) 5.912 9.443 ( -1.204 5.766 -0.504) 5.912 10.339 ( -6.511 -3.264 0.760) 7.322 10.339 ( -6.511 3.264 0.760) 7.322 11.143 ( 3.514 -2.553 4.714) 6.410 11.143 ( 3.514 2.553 4.714) 6.410 11.351 ( 3.209 -8.772 -4.277) 10.274 11.351 ( 3.209 8.772 -4.277) 10.274 11.836 ( 2.739 -5.173 -0.381) 5.866 11.836 ( 2.739 5.173 -0.381) 5.866 12.729 ( 4.940 -5.962 -1.307) 7.852 12.729 ( 4.940 5.962 -1.307) 7.852 13.729 ( 11.274 -7.020 0.716) 13.300 13.729 ( 11.274 7.020 0.716) 13.300 14.250 ( 7.530 -1.023 -5.670) 9.481 14.250 ( 7.530 1.023 -5.670) 9.481 15.275 ( 11.263 -4.244 8.653) 14.824 15.275 ( 11.263 4.244 8.653) 14.824 15.851 ( 6.095 -3.622 -3.682) 7.989 15.851 ( 6.095 3.622 -3.682) 7.989 17.354 ( -0.020 -4.309 -0.460) 4.333 17.354 ( -0.020 4.309 -0.460) 4.333 19.107 ( -1.269 -9.477 1.619) 9.698 19.107 ( -1.269 9.477 1.619) 9.698 19.596 ( -4.767 -4.515 -2.330) 6.967 19.596 ( -4.767 4.515 -2.330) 6.967 20.850 ( -10.262 -12.032 -0.305) 15.817 20.850 ( -10.262 12.032 -0.305) 15.817 21.546 ( 10.458 -3.240 1.218) 11.016 21.546 ( 10.458 3.240 1.218) 11.016 22.505 ( 3.360 -4.308 -0.124) 5.465 22.505 ( 3.360 4.308 -0.124) 5.465 ======================= Grid point 187 (95/132) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -7.174 -4.594 -3.504) 9.211 1.992 ( -7.174 4.594 -3.504) 9.211 2.459 ( 6.699 -11.372 2.910) 13.515 2.459 ( 6.699 11.372 2.910) 13.515 2.755 ( -7.675 -10.823 3.040) 13.612 2.755 ( -7.675 10.823 3.040) 13.612 3.063 ( 2.341 -5.531 3.618) 7.012 3.063 ( 2.341 5.531 3.618) 7.012 3.673 ( -3.423 -2.783 -6.365) 7.744 3.673 ( -3.423 2.783 -6.365) 7.744 3.843 ( -3.583 -5.363 -2.204) 6.816 3.843 ( -3.583 5.363 -2.204) 6.816 4.533 ( 1.022 -6.270 -0.290) 6.360 4.533 ( 1.022 6.270 -0.290) 6.360 4.873 ( 5.873 -5.864 -0.830) 8.340 4.873 ( 5.873 5.864 -0.830) 8.340 5.428 ( -6.992 -2.576 -1.814) 7.669 5.428 ( -6.992 2.576 -1.814) 7.669 5.579 ( -5.271 -10.072 2.394) 11.618 5.579 ( -5.271 10.072 2.394) 11.618 5.855 ( -3.960 -4.072 -5.566) 7.952 5.855 ( -3.960 4.072 -5.566) 7.952 5.999 ( -0.560 -1.333 1.692) 2.226 5.999 ( -0.560 1.333 1.692) 2.226 6.434 ( 2.480 -5.773 5.985) 8.677 6.434 ( 2.480 5.773 5.985) 8.677 7.013 ( 4.690 -5.455 0.226) 7.197 7.013 ( 4.690 5.455 0.226) 7.197 7.231 ( 1.555 -3.073 -2.543) 4.281 7.231 ( 1.555 3.073 -2.543) 4.281 7.670 ( -1.186 -4.845 -0.302) 4.997 7.670 ( -1.186 4.845 -0.302) 4.997 8.092 ( 2.859 -5.775 1.493) 6.615 8.092 ( 2.859 5.775 1.493) 6.615 8.183 ( -1.761 -4.811 5.069) 7.207 8.183 ( -1.761 4.811 5.069) 7.207 8.645 ( -2.531 -3.056 -4.812) 6.237 8.645 ( -2.531 3.056 -4.812) 6.237 9.125 ( -1.862 -1.528 2.375) 3.383 9.125 ( -1.862 1.528 2.375) 3.383 9.413 ( -1.619 -6.788 -0.167) 6.980 9.413 ( -1.619 6.788 -0.167) 6.980 10.222 ( -5.430 -2.341 0.848) 5.973 10.222 ( -5.429 2.341 0.848) 5.973 11.201 ( 0.184 -2.891 3.297) 4.389 11.201 ( 0.184 2.891 3.297) 4.389 11.414 ( 4.633 -7.417 -2.141) 9.003 11.414 ( 4.633 7.417 -2.141) 9.003 11.857 ( -0.142 -4.153 -1.150) 4.311 11.857 ( -0.142 4.153 -1.150) 4.311 12.831 ( 5.751 -3.753 -1.944) 7.137 12.831 ( 5.751 3.753 -1.944) 7.137 13.983 ( 12.598 -8.362 -0.150) 15.121 13.983 ( 12.598 8.362 -0.150) 15.121 14.349 ( 5.087 -1.924 -1.800) 5.729 14.349 ( 5.087 1.924 -1.800) 5.729 15.600 ( 15.793 -7.228 5.233) 18.140 15.600 ( 15.793 7.228 5.233) 18.140 15.986 ( 9.697 -4.352 -2.002) 10.815 15.986 ( 9.697 4.352 -2.002) 10.815 17.342 ( -0.891 -6.428 -1.354) 6.629 17.342 ( -0.891 6.428 -1.354) 6.629 19.074 ( -3.584 -5.689 2.038) 7.026 19.074 ( -3.584 5.689 2.038) 7.026 19.483 ( -4.667 -3.759 -2.726) 6.584 19.483 ( -4.667 3.759 -2.726) 6.584 20.622 ( -11.875 -13.934 0.043) 18.308 20.622 ( -11.875 13.934 0.043) 18.308 21.767 ( 10.415 -4.430 1.257) 11.388 21.767 ( 10.415 4.430 1.257) 11.388 22.563 ( 2.382 -3.646 -0.281) 4.364 22.563 ( 2.382 3.646 -0.281) 4.364 ======================= Grid point 189 (96/132) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -4.064 -6.456 -3.480) 8.385 1.866 ( -4.064 6.456 -3.480) 8.385 2.541 ( -0.035 -3.644 1.149) 3.821 2.541 ( -0.035 3.644 1.149) 3.821 2.704 ( 1.442 -17.289 3.320) 17.664 2.704 ( 1.442 17.289 3.320) 17.664 3.157 ( 5.199 -5.346 2.096) 7.746 3.157 ( 5.199 5.346 2.096) 7.746 3.546 ( -5.036 -3.011 -5.810) 8.257 3.546 ( -5.036 3.011 -5.810) 8.257 3.750 ( -4.106 -0.341 -3.394) 5.338 3.750 ( -4.106 0.341 -3.394) 5.338 4.542 ( 0.077 -4.185 0.215) 4.191 4.542 ( 0.077 4.185 0.215) 4.191 4.998 ( 4.909 -5.221 2.899) 7.731 4.998 ( 4.909 5.221 2.899) 7.731 5.298 ( -4.895 -0.932 0.538) 5.012 5.298 ( -4.895 0.932 0.538) 5.012 5.515 ( -2.337 -13.122 1.716) 13.438 5.515 ( -2.337 13.122 1.716) 13.439 5.749 ( -2.345 -7.183 -4.900) 9.006 5.749 ( -2.345 7.183 -4.900) 9.006 6.006 ( -0.248 -5.481 -0.938) 5.566 6.006 ( -0.248 5.481 -0.938) 5.566 6.497 ( 0.526 -0.912 4.619) 4.737 6.497 ( 0.526 0.912 4.619) 4.737 7.080 ( 2.590 -1.842 -2.116) 3.818 7.080 ( 2.590 1.842 -2.116) 3.818 7.245 ( 1.089 -5.780 -1.669) 6.114 7.245 ( 1.089 5.780 -1.669) 6.114 7.625 ( -2.395 -2.727 0.057) 3.629 7.625 ( -2.395 2.727 0.057) 3.629 8.009 ( -6.465 -3.182 4.630) 8.564 8.009 ( -6.465 3.182 4.630) 8.564 8.302 ( 5.659 -2.348 0.734) 6.171 8.302 ( 5.659 2.348 0.734) 6.171 8.626 ( 1.538 -3.472 1.263) 4.001 8.626 ( 1.538 3.472 1.263) 4.001 9.095 ( -1.860 -3.121 -0.621) 3.686 9.095 ( -1.860 3.121 -0.621) 3.686 9.382 ( -1.025 -5.578 -1.366) 5.833 9.382 ( -1.025 5.578 -1.366) 5.833 10.140 ( -3.252 -1.072 1.419) 3.707 10.140 ( -3.252 1.072 1.419) 3.707 11.209 ( -0.526 -3.496 3.327) 4.855 11.209 ( -0.526 3.496 3.327) 4.855 11.486 ( 3.024 -5.945 -1.740) 6.893 11.486 ( 3.024 5.945 -1.740) 6.893 11.833 ( -0.958 -1.847 -1.738) 2.712 11.833 ( -0.958 1.847 -1.738) 2.712 12.919 ( 3.868 -2.118 -2.049) 4.862 12.919 ( 3.868 2.118 -2.049) 4.862 14.157 ( 3.880 -5.723 1.280) 7.032 14.157 ( 3.880 5.723 1.280) 7.032 14.460 ( 7.208 -4.820 -3.327) 9.287 14.460 ( 7.208 4.820 -3.327) 9.287 15.863 ( 5.176 -8.475 10.321) 14.322 15.863 ( 5.176 8.475 10.321) 14.322 16.236 ( 16.742 -8.307 -6.558) 19.806 16.236 ( 16.742 8.307 -6.558) 19.806 17.300 ( -2.387 -6.103 -1.907) 6.825 17.300 ( -2.387 6.103 -1.907) 6.825 18.976 ( -6.426 -2.845 0.520) 7.047 18.976 ( -6.426 2.845 0.520) 7.047 19.408 ( -1.520 -2.458 -0.865) 3.017 19.408 ( -1.520 2.458 -0.865) 3.017 20.414 ( -8.265 -13.160 0.191) 15.541 20.414 ( -8.265 13.160 0.191) 15.541 21.947 ( 6.430 -3.060 1.349) 7.247 21.947 ( 6.430 3.060 1.349) 7.247 22.593 ( 0.981 -2.193 -0.553) 2.465 22.593 ( 0.981 2.193 -0.553) 2.465 ======================= Grid point 231 (97/132) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -11.651 0.000 1.099) 11.703 1.080 ( 11.651 0.000 -1.099) 11.703 1.324 ( 0.855 0.000 -1.124) 1.412 1.324 ( -0.855 0.000 1.124) 1.412 2.483 ( 0.217 0.000 -47.411) 47.412 2.483 ( -0.217 0.000 47.411) 47.412 3.116 ( 2.234 0.000 -18.582) 18.716 3.116 ( -2.234 0.000 18.582) 18.716 3.429 ( -1.255 0.000 -5.334) 5.479 3.429 ( 1.255 0.000 5.334) 5.479 4.027 ( 2.802 0.000 -4.747) 5.512 4.027 ( -2.802 0.000 4.747) 5.512 4.348 ( -2.440 0.000 0.096) 2.442 4.348 ( 2.440 0.000 -0.096) 2.442 5.020 ( 1.680 0.000 -8.062) 8.235 5.020 ( -1.680 0.000 8.062) 8.235 5.096 ( -4.588 0.000 -0.599) 4.627 5.096 ( 4.588 0.000 0.599) 4.627 5.543 ( 7.320 0.000 -4.274) 8.477 5.543 ( -7.320 0.000 4.274) 8.477 5.680 ( 3.705 0.000 -2.369) 4.397 5.680 ( -3.705 0.000 2.369) 4.397 6.294 ( -11.044 0.000 -6.780) 12.959 6.294 ( 11.044 0.000 6.780) 12.959 6.624 ( 3.722 0.000 -3.937) 5.418 6.624 ( -3.722 0.000 3.937) 5.418 7.089 ( 0.331 0.000 -4.879) 4.890 7.089 ( -0.331 0.000 4.879) 4.890 7.444 ( 3.458 0.000 -7.555) 8.309 7.444 ( -3.458 0.000 7.555) 8.309 7.480 ( 4.135 0.000 -5.746) 7.079 7.480 ( -4.135 0.000 5.746) 7.079 7.922 ( 2.318 0.000 -16.998) 17.155 7.922 ( -2.318 0.000 16.998) 17.155 8.138 ( 7.097 0.000 -4.228) 8.261 8.138 ( -7.097 0.000 4.228) 8.261 8.726 ( -5.413 0.000 -9.322) 10.780 8.726 ( 5.413 0.000 9.322) 10.780 9.421 ( 0.539 0.000 -1.446) 1.543 9.421 ( -0.539 0.000 1.446) 1.543 9.465 ( -10.392 0.000 -4.540) 11.340 9.465 ( 10.392 0.000 4.540) 11.340 9.807 ( -13.850 0.000 -3.035) 14.179 9.807 ( 13.850 0.000 3.035) 14.179 11.136 ( 1.741 0.000 -4.674) 4.988 11.136 ( -1.741 0.000 4.674) 4.988 11.414 ( -5.643 0.000 1.786) 5.919 11.414 ( 5.643 0.000 -1.786) 5.919 11.958 ( -8.178 0.000 -11.192) 13.861 11.958 ( 8.178 0.000 11.192) 13.861 12.540 ( -20.939 0.000 -3.410) 21.215 12.540 ( 20.939 0.000 3.410) 21.215 13.637 ( -0.298 0.000 -2.688) 2.704 13.637 ( 0.298 0.000 2.688) 2.704 14.087 ( -0.794 0.000 -5.756) 5.811 14.087 ( 0.794 0.000 5.756) 5.811 15.769 ( 7.597 0.000 -16.866) 18.498 15.769 ( -7.597 0.000 16.866) 18.498 16.550 ( -24.891 0.000 -7.472) 25.988 16.550 ( 24.891 0.000 7.472) 25.988 18.033 ( -62.821 0.000 8.996) 63.462 18.033 ( 62.821 0.000 -8.996) 63.462 19.084 ( -0.129 0.000 -4.391) 4.393 19.084 ( 0.129 0.000 4.391) 4.393 19.412 ( 10.040 0.000 -6.935) 12.202 19.412 ( -10.040 0.000 6.935) 12.202 20.913 ( 10.002 0.000 -6.682) 12.029 20.913 ( -10.002 0.000 6.682) 12.029 22.026 ( -2.646 0.000 0.711) 2.740 22.026 ( 2.646 0.000 -0.711) 2.740 22.485 ( -0.519 0.000 -8.142) 8.159 22.485 ( 0.519 0.000 8.142) 8.159 ======================= Grid point 233 (98/132) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -6.400 0.000 -5.817) 8.648 1.171 ( 6.460 0.000 -22.071) 22.997 1.445 ( 8.271 0.000 13.833) 16.117 1.484 ( 8.757 0.000 18.121) 20.126 2.399 ( 15.577 0.000 -41.636) 44.455 2.826 ( 8.846 0.000 36.342) 37.403 3.081 ( 6.044 0.000 -23.629) 24.390 3.187 ( 0.513 0.000 14.013) 14.022 3.415 ( 2.126 0.000 0.551) 2.196 3.509 ( 3.600 0.000 5.894) 6.906 3.976 ( -5.199 0.000 5.818) 7.802 4.026 ( -0.986 0.000 -3.202) 3.350 4.259 ( -6.310 0.000 -0.650) 6.343 4.366 ( -0.118 0.000 0.448) 0.464 4.910 ( -6.834 0.000 -5.108) 8.532 5.042 ( 0.807 0.000 3.088) 3.191 5.168 ( 7.590 0.000 -1.547) 7.746 5.235 ( 6.487 0.000 2.648) 7.007 5.419 ( -7.838 0.000 4.277) 8.929 5.608 ( -3.248 0.000 4.247) 5.347 5.629 ( 1.463 0.000 2.496) 2.893 5.758 ( 8.791 0.000 -6.310) 10.822 6.044 ( -9.637 0.000 -5.815) 11.256 6.499 ( 5.469 0.000 0.529) 5.494 6.586 ( -0.558 0.000 7.409) 7.430 6.647 ( 0.789 0.000 -4.020) 4.097 7.023 ( -2.493 0.000 -10.645) 10.933 7.108 ( 0.987 0.000 3.897) 4.020 7.349 ( -5.977 0.000 -2.756) 6.582 7.389 ( -3.335 0.000 2.871) 4.401 7.542 ( 3.601 0.000 1.916) 4.079 7.581 ( 5.383 0.000 2.560) 5.961 7.862 ( 0.254 0.000 -14.092) 14.094 7.955 ( -4.449 0.000 20.609) 21.084 8.079 ( -3.146 0.000 3.762) 4.905 8.346 ( 15.613 0.000 -7.484) 17.314 8.632 ( 0.477 0.000 -7.503) 7.518 8.819 ( -6.146 0.000 -1.426) 6.310 9.138 ( -9.284 0.000 1.970) 9.491 9.376 ( -4.148 0.000 -0.533) 4.182 9.423 ( -1.156 0.000 -1.182) 1.653 9.575 ( 1.355 0.000 1.871) 2.310 9.712 ( 5.288 0.000 -3.537) 6.362 10.096 ( 10.487 0.000 -7.899) 13.129 11.140 ( -1.360 0.000 -2.831) 3.141 11.152 ( 0.599 0.000 5.376) 5.409 11.317 ( -4.702 0.000 -0.380) 4.718 11.506 ( -3.863 0.000 6.890) 7.900 11.630 ( -6.857 0.000 1.179) 6.957 12.067 ( -1.604 0.000 16.171) 16.250 12.285 ( -2.223 0.000 -8.141) 8.439 12.840 ( 2.568 0.000 2.946) 3.908 13.659 ( 3.683 0.000 -1.402) 3.941 13.708 ( 5.359 0.000 2.396) 5.870 14.051 ( -0.652 0.000 -4.312) 4.361 14.157 ( 1.399 0.000 11.529) 11.614 15.717 ( -6.569 0.000 16.273) 17.548 15.818 ( 3.422 0.000 -13.133) 13.571 16.060 ( -12.895 0.000 -21.629) 25.181 17.019 ( 19.913 0.000 -5.496) 20.658 17.083 ( -40.754 0.000 23.899) 47.244 18.915 ( 3.747 0.000 10.880) 11.507 19.060 ( -0.482 0.000 -2.870) 2.910 19.146 ( -16.509 0.000 14.395) 21.903 19.387 ( 30.208 0.000 9.795) 31.757 19.541 ( 6.817 0.000 -4.629) 8.241 20.811 ( -0.660 0.000 5.498) 5.538 21.056 ( 7.807 0.000 -8.358) 11.438 21.930 ( -6.077 0.000 -3.377) 6.952 22.031 ( -1.410 0.000 -1.253) 1.886 22.459 ( 2.724 0.000 -9.908) 10.276 22.563 ( 2.370 0.000 8.556) 8.879 ======================= Grid point 234 (99/132) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 15.002 0.000 -4.831) 15.760 1.262 ( 15.203 0.000 -13.459) 20.305 1.764 ( 14.542 0.000 16.098) 21.694 1.807 ( 13.925 0.000 14.368) 20.009 2.579 ( 19.722 0.000 -30.211) 36.079 3.043 ( 0.358 0.000 4.507) 4.521 3.113 ( 9.964 0.000 -23.961) 25.950 3.325 ( 6.064 0.000 7.434) 9.594 3.587 ( 9.678 0.000 24.185) 26.049 3.631 ( 6.443 0.000 2.846) 7.044 3.872 ( -8.637 0.000 5.370) 10.171 3.947 ( -5.756 0.000 -0.453) 5.773 4.112 ( -6.865 0.000 -3.216) 7.581 4.378 ( 1.328 0.000 1.779) 2.220 4.746 ( -5.854 0.000 -6.016) 8.394 5.044 ( -2.448 0.000 1.163) 2.710 5.185 ( -7.060 0.000 1.322) 7.183 5.246 ( -7.262 0.000 -1.044) 7.337 5.363 ( 1.903 0.000 4.912) 5.268 5.647 ( 1.815 0.000 4.598) 4.943 5.746 ( 8.993 0.000 2.755) 9.406 5.886 ( -2.193 0.000 -0.956) 2.392 5.947 ( 12.445 0.000 -3.716) 12.987 6.543 ( 2.864 0.000 -0.665) 2.940 6.644 ( 1.553 0.000 -1.777) 2.360 6.677 ( 2.675 0.000 4.347) 5.104 6.903 ( -3.752 0.000 -8.206) 9.024 7.165 ( 2.809 0.000 1.476) 3.173 7.211 ( -5.653 0.000 -4.809) 7.422 7.312 ( -6.088 0.000 -3.424) 6.984 7.596 ( 0.529 0.000 -0.474) 0.710 7.700 ( 5.149 0.000 2.671) 5.800 7.793 ( -0.554 0.000 -8.591) 8.608 7.945 ( -8.269 0.000 16.753) 18.682 8.054 ( 0.312 0.000 7.620) 7.627 8.599 ( 10.118 0.000 -5.131) 11.345 8.606 ( -6.524 0.000 -3.229) 7.279 8.649 ( 7.310 0.000 -10.531) 12.820 9.052 ( -5.877 0.000 0.999) 5.962 9.240 ( -8.546 0.000 -1.747) 8.723 9.375 ( -2.873 0.000 0.330) 2.892 9.586 ( -0.320 0.000 -1.192) 1.235 9.916 ( 12.113 0.000 4.731) 13.004 10.117 ( -1.254 0.000 -6.407) 6.529 11.051 ( -5.699 0.000 6.555) 8.686 11.196 ( -2.033 0.000 5.241) 5.621 11.234 ( -0.243 0.000 -1.775) 1.792 11.430 ( -1.871 0.000 7.910) 8.128 11.774 ( 11.441 0.000 -3.596) 11.993 12.112 ( -2.459 0.000 15.773) 15.963 12.246 ( 2.202 0.000 -10.951) 11.171 12.745 ( -7.611 0.000 -6.457) 9.981 13.767 ( 7.508 0.000 -0.684) 7.539 13.835 ( 5.607 0.000 1.019) 5.698 14.007 ( -1.082 0.000 -5.021) 5.137 14.257 ( 1.392 0.000 14.548) 14.614 15.623 ( -8.868 0.000 -15.897) 18.203 15.685 ( -5.072 0.000 14.719) 15.569 15.958 ( 6.846 0.000 -18.708) 19.922 16.583 ( -23.903 0.000 19.000) 30.534 17.263 ( 9.586 0.000 -9.959) 13.823 18.709 ( -22.579 0.000 -0.991) 22.601 18.914 ( -11.532 0.000 22.465) 25.252 19.036 ( 0.372 0.000 -5.811) 5.822 19.650 ( 6.190 0.000 -1.915) 6.480 19.856 ( 8.886 0.000 7.901) 11.891 20.972 ( 9.023 0.000 12.216) 15.187 21.135 ( 4.785 0.000 -7.211) 8.654 21.771 ( -6.494 0.000 -6.998) 9.547 21.967 ( -4.361 0.000 -0.526) 4.392 22.481 ( 5.167 0.000 -11.574) 12.675 22.648 ( 0.757 0.000 9.811) 9.840 ======================= Grid point 235 (100/132) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 25.459 0.000 -4.599) 25.871 1.640 ( 24.052 0.000 3.223) 24.267 2.144 ( 13.281 0.000 6.726) 14.887 2.148 ( 14.192 0.000 16.191) 21.531 2.785 ( 14.180 0.000 -21.737) 25.953 3.011 ( -1.525 0.000 -4.948) 5.178 3.152 ( 0.843 0.000 -12.618) 12.646 3.426 ( 2.488 0.000 0.192) 2.496 3.669 ( -12.987 0.000 3.684) 13.500 3.801 ( 11.421 0.000 -8.288) 14.111 3.863 ( 0.478 0.000 0.104) 0.489 3.970 ( -4.999 0.000 -0.872) 5.075 3.975 ( 11.931 0.000 22.390) 25.370 4.431 ( 2.206 0.000 1.816) 2.857 4.633 ( -2.723 0.000 -5.199) 5.869 4.925 ( -8.740 0.000 -2.220) 9.017 4.980 ( -12.207 0.000 1.821) 12.342 5.144 ( -6.129 0.000 9.246) 11.093 5.429 ( 4.877 0.000 1.594) 5.131 5.607 ( -5.460 0.000 4.552) 7.108 5.912 ( 5.082 0.000 1.744) 5.373 5.999 ( 9.625 0.000 0.082) 9.626 6.181 ( 10.957 0.000 -2.906) 11.335 6.594 ( 1.101 0.000 -5.635) 5.741 6.717 ( 3.806 0.000 -4.062) 5.566 6.724 ( 6.806 0.000 1.541) 6.978 6.826 ( -3.526 0.000 5.792) 6.781 7.077 ( -4.611 0.000 -6.540) 8.002 7.084 ( -11.670 0.000 -6.218) 13.223 7.234 ( 4.040 0.000 0.334) 4.054 7.535 ( -5.270 0.000 -3.990) 6.610 7.755 ( -0.369 0.000 -2.898) 2.921 7.818 ( 2.720 0.000 2.627) 3.781 7.881 ( -1.082 0.000 7.153) 7.234 8.137 ( 0.224 0.000 10.381) 10.384 8.545 ( -1.705 0.000 4.760) 5.057 8.608 ( -5.659 0.000 3.102) 6.454 8.812 ( 11.683 0.000 -16.940) 20.578 8.938 ( -3.383 0.000 0.459) 3.414 9.072 ( -4.636 0.000 -5.454) 7.158 9.322 ( -3.176 0.000 2.736) 4.192 9.546 ( -2.486 0.000 -3.304) 4.135 10.088 ( 1.706 0.000 -2.389) 2.935 10.152 ( 7.328 0.000 6.504) 9.798 11.007 ( -1.510 0.000 1.333) 2.014 11.120 ( -4.156 0.000 0.050) 4.157 11.297 ( 3.564 0.000 2.366) 4.278 11.462 ( 0.019 0.000 7.239) 7.239 11.962 ( 7.607 0.000 1.386) 7.732 12.136 ( -3.131 0.000 13.514) 13.871 12.235 ( 2.553 0.000 -10.961) 11.255 12.553 ( -5.946 0.000 -11.242) 12.717 13.929 ( 3.278 0.000 0.982) 3.422 13.931 ( 7.898 0.000 -1.206) 7.989 13.968 ( 1.912 0.000 -6.863) 7.125 14.350 ( -0.888 0.000 14.794) 14.820 15.433 ( -0.745 0.000 -16.131) 16.148 15.676 ( -3.705 0.000 14.116) 14.594 15.984 ( 4.531 0.000 -15.470) 16.120 16.271 ( -17.241 0.000 12.894) 21.530 17.341 ( 4.901 0.000 -9.173) 10.400 18.239 ( -23.094 0.000 0.906) 23.112 18.830 ( -8.881 0.000 21.843) 23.580 19.000 ( 0.487 0.000 -11.558) 11.568 19.767 ( 5.822 0.000 0.324) 5.831 19.968 ( 1.932 0.000 2.050) 2.816 21.185 ( 3.900 0.000 -4.890) 6.255 21.195 ( 6.513 0.000 10.629) 12.466 21.615 ( -5.288 0.000 -6.745) 8.570 21.856 ( -6.432 0.000 -0.610) 6.461 22.531 ( 6.117 0.000 -11.964) 13.437 22.689 ( -2.351 0.000 11.080) 11.327 ======================= Grid point 236 (101/132) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 26.764 0.000 -3.832) 27.037 2.162 ( 20.573 0.000 15.037) 25.482 2.381 ( 10.027 0.000 -4.955) 11.184 2.446 ( 6.007 0.000 14.728) 15.905 2.830 ( -6.190 0.000 -9.361) 11.222 2.950 ( -1.606 0.000 -9.807) 9.938 3.043 ( 1.939 0.000 -7.430) 7.679 3.397 ( -15.026 0.000 2.738) 15.274 3.462 ( 2.171 0.000 1.986) 2.942 3.779 ( -6.467 0.000 -5.782) 8.675 3.989 ( 9.866 0.000 1.931) 10.053 4.128 ( 18.012 0.000 -6.933) 19.300 4.217 ( 4.196 0.000 3.583) 5.518 4.453 ( -1.861 0.000 -0.026) 1.861 4.545 ( -4.139 0.000 -2.759) 4.974 4.746 ( -8.155 0.000 2.937) 8.667 4.815 ( -3.342 0.000 0.471) 3.375 5.001 ( -13.261 0.000 9.715) 16.439 5.585 ( 0.713 0.000 12.650) 12.670 5.653 ( 14.876 0.000 5.461) 15.847 5.932 ( -2.186 0.000 -8.402) 8.682 6.161 ( 7.260 0.000 -4.351) 8.464 6.248 ( -3.239 0.000 0.961) 3.379 6.503 ( -13.741 0.000 -9.286) 16.584 6.692 ( 5.672 0.000 -0.436) 5.689 6.882 ( 6.613 0.000 -1.234) 6.728 6.889 ( 6.052 0.000 -3.168) 6.831 6.961 ( -3.802 0.000 -5.738) 6.884 6.974 ( 0.944 0.000 7.839) 7.896 7.357 ( -7.594 0.000 0.553) 7.614 7.377 ( 7.564 0.000 1.580) 7.728 7.745 ( 0.713 0.000 -1.549) 1.705 7.789 ( -4.694 0.000 7.156) 8.558 7.980 ( -0.146 0.000 -3.673) 3.675 8.091 ( -2.196 0.000 0.722) 2.312 8.440 ( -11.046 0.000 1.709) 11.178 8.591 ( 2.499 0.000 12.564) 12.810 8.862 ( 2.102 0.000 -18.128) 18.249 8.977 ( 3.515 0.000 7.091) 7.914 9.032 ( 3.110 0.000 -6.279) 7.007 9.292 ( -1.209 0.000 4.597) 4.753 9.459 ( -3.940 0.000 -4.699) 6.133 10.149 ( 4.760 0.000 -1.515) 4.995 10.257 ( 0.290 0.000 4.842) 4.850 10.994 ( 1.017 0.000 -4.315) 4.434 11.049 ( -3.729 0.000 2.980) 4.774 11.384 ( 4.575 0.000 -0.569) 4.610 11.487 ( -1.535 0.000 6.191) 6.378 12.085 ( 2.487 0.000 6.576) 7.030 12.136 ( -2.785 0.000 9.027) 9.446 12.235 ( 3.169 0.000 -8.388) 8.967 12.401 ( -3.531 0.000 -10.913) 11.470 13.950 ( 1.536 0.000 -3.648) 3.958 13.975 ( 0.660 0.000 1.279) 1.440 14.117 ( 10.612 0.000 -8.120) 13.362 14.355 ( -6.631 0.000 14.752) 16.174 15.435 ( 9.092 0.000 -15.385) 17.870 15.676 ( -5.307 0.000 15.253) 16.150 15.967 ( 1.895 0.000 -13.510) 13.642 16.032 ( -12.255 0.000 9.707) 15.634 17.404 ( 6.968 0.000 -7.812) 10.469 17.835 ( -18.432 0.000 3.566) 18.773 18.807 ( -5.249 0.000 21.600) 22.229 18.931 ( 0.417 0.000 -16.712) 16.718 19.876 ( 4.616 0.000 1.175) 4.763 19.987 ( -0.415 0.000 0.181) 0.453 21.246 ( 4.334 0.000 -2.314) 4.913 21.342 ( 2.926 0.000 6.689) 7.301 21.502 ( -1.921 0.000 -4.368) 4.772 21.711 ( -7.416 0.000 -1.399) 7.547 22.589 ( 6.162 0.000 -12.150) 13.624 22.680 ( -4.636 0.000 11.967) 12.834 ======================= Grid point 237 (102/132) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -18.636 0.000 5.185) 19.344 2.260 ( 18.636 0.000 -5.185) 19.344 2.535 ( 3.474 0.000 -10.326) 10.894 2.535 ( -3.474 0.000 10.326) 10.894 2.762 ( -10.040 0.000 -9.758) 14.001 2.762 ( 10.040 0.000 9.758) 14.001 3.158 ( 10.846 0.000 -6.610) 12.701 3.158 ( -10.846 0.000 6.610) 12.701 3.592 ( -8.453 0.000 -4.622) 9.634 3.592 ( 8.453 0.000 4.622) 9.634 4.190 ( -6.587 0.000 -3.968) 7.690 4.190 ( 6.587 0.000 3.968) 7.690 4.367 ( -3.903 0.000 -4.721) 6.126 4.367 ( 3.903 0.000 4.721) 6.126 4.576 ( 13.307 0.000 -10.964) 17.242 4.576 ( -13.307 0.000 10.964) 17.242 4.832 ( 5.385 0.000 -3.870) 6.632 4.832 ( -5.385 0.000 3.870) 6.632 5.753 ( -6.678 0.000 -16.719) 18.003 5.753 ( 6.678 0.000 16.719) 18.003 6.036 ( -17.657 0.000 -8.227) 19.479 6.036 ( 17.657 0.000 8.227) 19.479 6.251 ( 6.076 0.000 -5.909) 8.476 6.251 ( -6.076 0.000 5.909) 8.476 6.846 ( -5.814 0.000 -3.706) 6.895 6.846 ( 5.814 0.000 3.706) 6.895 6.933 ( 0.545 0.000 -3.713) 3.752 6.933 ( -0.545 0.000 3.713) 3.752 7.135 ( -10.736 0.000 -0.355) 10.742 7.135 ( 10.736 0.000 0.355) 10.742 7.669 ( -14.542 0.000 -0.514) 14.551 7.669 ( 14.542 0.000 0.514) 14.551 7.780 ( -3.762 0.000 -4.420) 5.804 7.780 ( 3.762 0.000 4.420) 5.804 8.231 ( -9.603 0.000 -1.133) 9.670 8.231 ( 9.603 0.000 1.133) 9.670 8.742 ( -3.404 0.000 -16.784) 17.125 8.742 ( 3.404 0.000 16.784) 17.125 9.051 ( 1.042 0.000 -6.989) 7.066 9.051 ( -1.042 0.000 6.989) 7.066 9.348 ( -3.605 0.000 -6.131) 7.112 9.348 ( 3.605 0.000 6.131) 7.112 10.233 ( 4.108 0.000 -2.555) 4.838 10.233 ( -4.108 0.000 2.555) 4.838 11.006 ( 2.921 0.000 -5.486) 6.215 11.006 ( -2.921 0.000 5.486) 6.215 11.460 ( 3.788 0.000 -3.495) 5.154 11.460 ( -3.788 0.000 3.495) 5.154 12.128 ( 0.971 0.000 -1.130) 1.489 12.128 ( -0.971 0.000 1.130) 1.489 12.290 ( -3.500 0.000 -3.808) 5.172 12.290 ( 3.500 0.000 3.808) 5.172 13.971 ( 1.665 0.000 -2.114) 2.691 13.971 ( -1.665 0.000 2.114) 2.691 14.263 ( 9.683 0.000 -12.678) 15.953 14.263 ( -9.683 0.000 12.678) 15.953 15.581 ( 12.215 0.000 -15.361) 19.626 15.581 ( -12.215 0.000 15.361) 19.626 15.938 ( 3.047 0.000 -10.976) 11.391 15.938 ( -3.047 0.000 10.976) 11.391 17.555 ( 12.406 0.000 -6.163) 13.853 17.555 ( -12.406 0.000 6.163) 13.853 18.851 ( 1.937 0.000 -20.022) 20.116 18.851 ( -1.937 0.000 20.022) 20.116 19.955 ( -2.637 0.000 -0.817) 2.761 19.955 ( 2.637 0.000 0.817) 2.761 21.328 ( -4.376 0.000 0.981) 4.485 21.328 ( 4.376 0.000 -0.981) 4.485 21.560 ( -6.532 0.000 -1.510) 6.704 21.560 ( 6.532 0.000 1.510) 6.704 22.641 ( 5.730 0.000 -12.274) 13.546 22.641 ( -5.730 0.000 12.274) 13.546 ======================= Grid point 243 (103/132) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -7.444 1.782 -11.870) 14.124 1.082 ( 7.444 1.782 11.870) 14.124 1.428 ( -0.447 10.915 -12.338) 16.479 1.428 ( 0.447 10.915 12.338) 16.479 2.566 ( -0.987 7.748 -40.627) 41.370 2.566 ( 0.987 7.748 40.627) 41.370 3.165 ( 2.191 4.112 -18.730) 19.301 3.165 ( -2.191 4.112 18.730) 19.301 3.415 ( -0.512 -1.062 -5.593) 5.716 3.415 ( 0.512 -1.062 5.593) 5.716 4.017 ( 1.064 -1.529 -5.991) 6.274 4.017 ( -1.064 -1.529 5.991) 6.274 4.333 ( 4.169 -0.880 -4.172) 5.963 4.333 ( -4.169 -0.880 4.172) 5.963 5.019 ( -3.416 -2.070 -6.667) 7.772 5.019 ( 3.416 -2.070 6.667) 7.772 5.084 ( 2.123 0.547 -3.879) 4.456 5.084 ( -2.123 0.547 3.879) 4.456 5.481 ( 2.144 -5.308 -3.540) 6.731 5.481 ( -2.144 -5.308 3.540) 6.731 5.662 ( -6.873 -1.447 -3.159) 7.702 5.662 ( 6.873 -1.447 3.159) 7.702 6.290 ( -7.706 0.407 -9.036) 11.882 6.290 ( 7.706 0.407 9.036) 11.882 6.671 ( 1.229 3.222 -3.740) 5.087 6.671 ( -1.229 3.222 3.740) 5.087 7.061 ( -0.281 -2.988 -5.963) 6.676 7.061 ( 0.281 -2.988 5.963) 6.676 7.475 ( -0.484 4.877 -10.236) 11.348 7.475 ( 0.484 4.877 10.236) 11.348 7.586 ( -0.909 6.573 -4.202) 7.854 7.586 ( 0.909 6.573 4.202) 7.854 7.843 ( -1.236 -4.984 -8.100) 9.590 7.843 ( 1.236 -4.984 8.100) 9.590 8.217 ( -0.715 5.527 -5.540) 7.858 8.217 ( 0.715 5.527 5.540) 7.858 8.704 ( -3.999 -1.590 -8.633) 9.646 8.704 ( 3.999 -1.590 8.633) 9.646 9.262 ( -6.642 -11.828 -2.673) 13.826 9.262 ( 6.642 -11.828 2.673) 13.826 9.554 ( -0.703 5.826 -3.403) 6.784 9.554 ( 0.703 5.826 3.403) 6.784 9.799 ( -17.778 -1.172 -2.187) 17.950 9.799 ( 17.778 -1.172 2.187) 17.950 11.015 ( 2.393 -7.009 -7.686) 10.674 11.015 ( -2.393 -7.009 7.686) 10.674 11.470 ( 2.544 3.360 -1.537) 4.486 11.470 ( -2.544 3.360 1.537) 4.486 11.935 ( -5.703 -2.048 -8.066) 10.089 11.935 ( 5.703 -2.048 8.066) 10.089 12.526 ( -12.971 1.402 -0.982) 13.083 12.526 ( 12.971 1.402 0.982) 13.083 13.864 ( 1.714 14.296 -5.411) 15.381 13.864 ( -1.714 14.296 5.411) 15.381 14.131 ( -2.588 6.377 -8.644) 11.049 14.131 ( 2.588 6.377 8.644) 11.049 15.765 ( 7.852 -0.132 -15.160) 17.073 15.765 ( -7.852 -0.132 15.160) 17.073 16.538 ( -18.521 -1.184 -8.008) 20.213 16.538 ( 18.521 -1.184 8.008) 20.213 17.885 ( -50.343 -12.882 8.348) 52.631 17.885 ( 50.343 -12.882 -8.348) 52.631 19.019 ( -2.758 -4.662 -4.277) 6.902 19.019 ( 2.758 -4.662 4.277) 6.902 19.437 ( 4.871 1.468 -5.725) 7.659 19.437 ( -4.871 1.468 5.725) 7.659 20.839 ( -5.294 -6.652 -19.307) 21.096 20.839 ( 5.294 -6.652 19.307) 21.096 22.031 ( -8.508 0.373 1.061) 8.582 22.031 ( 8.508 0.373 -1.061) 8.582 22.503 ( -0.794 1.557 -6.889) 7.108 22.503 ( 0.794 1.557 6.889) 7.108 ======================= Grid point 245 (104/132) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.809 9.357 -5.595) 10.932 1.275 ( 6.988 7.503 -8.240) 13.154 1.459 ( 6.903 4.388 6.710) 10.579 1.601 ( 9.651 10.568 11.327) 18.252 2.480 ( 13.503 7.941 -35.756) 39.037 2.883 ( 9.620 4.400 27.332) 29.307 3.126 ( 4.164 4.620 -16.614) 17.740 3.231 ( 0.053 3.580 12.271) 12.782 3.406 ( 1.915 -0.678 1.002) 2.265 3.494 ( 4.120 -0.761 5.850) 7.196 3.947 ( -4.701 -2.830 0.773) 5.541 4.026 ( -1.630 -0.252 0.601) 1.756 4.232 ( -7.382 -3.299 2.482) 8.458 4.372 ( 1.493 1.619 -2.206) 3.117 4.881 ( -6.679 -2.920 -3.164) 7.947 5.047 ( 0.331 0.636 3.302) 3.379 5.159 ( 3.653 -1.959 -0.716) 4.206 5.214 ( 8.487 -1.463 -0.875) 8.656 5.359 ( -8.056 -4.833 0.549) 9.411 5.511 ( -2.146 -3.929 5.193) 6.856 5.618 ( 6.333 -4.388 -1.177) 7.794 5.773 ( 2.459 0.183 0.461) 2.509 6.085 ( -6.150 4.800 -6.801) 10.349 6.483 ( 6.218 -2.545 6.402) 9.280 6.616 ( -1.909 5.449 1.660) 6.008 6.712 ( 1.238 2.011 -1.770) 2.951 6.983 ( -3.214 -1.681 -7.844) 8.642 7.101 ( 1.779 -1.780 4.286) 4.970 7.425 ( 0.244 4.155 -8.554) 9.513 7.449 ( -7.568 5.914 -0.264) 9.608 7.549 ( 1.192 4.197 7.485) 8.663 7.670 ( 2.782 3.752 -0.854) 4.749 7.791 ( -0.301 -4.822 -3.213) 5.802 7.928 ( 0.989 -0.973 12.250) 12.328 8.096 ( -6.113 0.687 -0.794) 6.203 8.386 ( 10.814 3.196 -4.038) 11.978 8.639 ( 1.190 0.961 -4.912) 5.145 8.813 ( -3.587 -0.282 -1.810) 4.027 9.038 ( -4.509 -8.959 2.196) 10.267 9.298 ( -2.597 -10.224 -1.359) 10.636 9.448 ( -7.441 4.719 -0.316) 8.817 9.581 ( 1.200 1.332 0.263) 1.812 9.659 ( 3.718 -1.945 -1.261) 4.382 10.169 ( 14.669 3.561 -3.979) 15.611 11.031 ( -1.684 -5.201 9.583) 11.032 11.035 ( 2.873 -7.747 -3.663) 9.038 11.393 ( -3.988 4.679 0.282) 6.155 11.580 ( 7.033 2.601 -1.630) 7.674 11.679 ( -14.457 4.864 1.475) 15.324 12.027 ( 0.374 -3.988 9.844) 10.628 12.338 ( -3.250 5.780 -4.767) 8.167 12.712 ( 3.370 -6.316 -1.688) 7.355 13.839 ( -0.634 12.499 1.796) 12.643 13.890 ( 2.017 12.344 -2.008) 12.668 14.042 ( -2.299 0.226 -3.143) 3.901 14.229 ( -0.190 7.633 12.966) 15.047 15.694 ( -6.958 -1.902 12.896) 14.776 15.823 ( 3.489 0.526 -11.629) 12.153 16.077 ( -13.749 1.580 -15.285) 20.620 16.969 ( 8.855 -6.082 -7.610) 13.165 17.057 ( -26.211 -0.900 21.598) 33.975 18.642 ( 4.889 -24.024 8.284) 25.878 18.942 ( -3.826 -3.569 2.998) 6.030 19.259 ( 10.823 2.010 11.652) 16.030 19.367 ( 9.774 -0.488 3.749) 10.480 19.530 ( 6.277 -1.091 -5.015) 8.108 20.671 ( 3.004 -13.216 -22.083) 25.910 21.024 ( 3.591 0.153 12.775) 13.271 21.852 ( -8.355 -4.243 -0.855) 9.409 22.130 ( 1.245 4.568 -1.799) 5.065 22.434 ( -1.257 -1.447 -4.002) 4.438 22.606 ( 4.218 2.964 4.073) 6.570 ======================= Grid point 246 (105/132) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 16.560 17.598 -2.258) 24.270 1.372 ( 12.937 9.867 -11.693) 20.036 1.739 ( 13.042 0.013 16.537) 21.061 1.893 ( 13.377 5.843 8.168) 16.727 2.647 ( 17.066 6.455 -24.684) 30.695 3.089 ( 7.349 -0.841 -11.664) 13.812 3.135 ( 0.563 6.319 -5.577) 8.446 3.351 ( 5.970 2.605 6.158) 8.963 3.539 ( 6.930 -2.872 14.439) 16.271 3.659 ( 9.363 1.828 9.949) 13.783 3.833 ( -7.797 -3.325 2.651) 8.881 3.962 ( -4.634 1.388 0.191) 4.841 4.088 ( -6.727 -2.701 -0.459) 7.263 4.393 ( 1.758 1.647 0.127) 2.413 4.734 ( -5.851 -1.263 -3.347) 6.858 5.007 ( -7.303 -4.105 -1.897) 8.590 5.142 ( -3.321 -1.982 1.345) 4.095 5.211 ( -6.062 -3.522 1.253) 7.122 5.355 ( 5.062 -0.183 2.266) 5.549 5.635 ( 8.330 -1.522 2.837) 8.930 5.728 ( -1.304 -3.305 1.748) 3.960 5.777 ( 5.122 -4.005 1.891) 6.771 6.060 ( 6.630 7.382 -3.670) 10.579 6.592 ( 1.403 -0.631 -1.338) 2.038 6.625 ( 2.303 1.981 6.903) 7.541 6.736 ( 2.515 2.658 -0.266) 3.669 6.868 ( -3.452 -0.122 -8.563) 9.234 7.165 ( 2.035 -0.707 -0.452) 2.201 7.293 ( -7.336 5.819 -0.970) 9.414 7.371 ( -1.987 6.062 -7.825) 10.096 7.562 ( -2.998 -3.097 0.598) 4.352 7.707 ( 3.130 -0.576 -0.975) 3.329 7.782 ( -0.140 -1.072 -0.375) 1.144 7.941 ( -8.062 -0.186 6.904) 10.615 8.043 ( 2.536 0.647 9.766) 10.111 8.505 ( -1.209 -3.658 -2.933) 4.842 8.648 ( 6.484 -0.799 -8.503) 10.723 8.734 ( 2.836 6.771 -1.215) 7.441 9.031 ( -3.915 -1.279 0.008) 4.119 9.194 ( -6.281 -7.759 -1.744) 10.134 9.335 ( -3.494 0.252 1.407) 3.775 9.617 ( 1.821 1.375 -0.665) 2.377 9.799 ( 9.122 -3.901 1.211) 9.995 10.297 ( 2.121 10.307 -3.268) 11.018 11.006 ( -2.879 -2.751 1.906) 4.415 11.114 ( 3.408 -6.745 5.868) 9.568 11.301 ( -5.173 6.632 0.796) 8.449 11.500 ( -4.556 4.689 6.855) 9.473 11.748 ( 9.107 -2.250 -2.583) 9.730 12.089 ( 1.263 -3.021 7.524) 8.206 12.294 ( 0.631 4.944 -6.145) 7.912 12.652 ( -5.484 -5.934 -6.492) 10.365 13.875 ( 3.537 8.202 0.466) 8.945 13.932 ( 2.815 7.875 -1.192) 8.447 13.990 ( -1.220 -1.405 -4.416) 4.792 14.275 ( -1.764 1.957 14.117) 14.361 15.585 ( -7.241 -2.941 -8.283) 11.388 15.706 ( -7.092 1.438 7.817) 10.653 15.959 ( 5.138 0.117 -16.136) 16.935 16.554 ( -23.067 -3.114 15.980) 28.234 17.242 ( 9.843 -1.812 -9.294) 13.658 18.500 ( -17.287 -19.378 7.321) 26.980 18.804 ( -7.459 -1.484 2.328) 7.954 19.223 ( -5.757 8.727 5.693) 11.904 19.640 ( 6.822 -1.038 -2.703) 7.411 19.808 ( 10.826 -4.743 9.212) 14.985 20.785 ( 15.873 -17.931 -12.331) 26.936 21.132 ( 2.020 3.502 9.676) 10.487 21.700 ( -6.011 -4.519 -3.453) 8.276 22.065 ( -6.162 4.625 -1.721) 7.894 22.420 ( 2.666 -4.219 -6.196) 7.956 22.689 ( 1.229 2.528 5.428) 6.113 ======================= Grid point 247 (106/132) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 21.001 13.023 -6.696) 25.603 1.738 ( 23.625 9.473 5.296) 25.999 2.102 ( 13.507 -1.374 15.311) 20.463 2.187 ( 12.616 1.329 4.019) 13.307 2.805 ( 9.293 1.509 -17.369) 19.757 3.083 ( -1.141 5.472 -7.503) 9.356 3.111 ( -1.777 -3.445 -9.257) 10.036 3.455 ( 3.119 3.589 1.404) 4.958 3.616 ( -9.381 -4.538 3.605) 11.027 3.801 ( 10.293 -0.690 -4.706) 11.339 3.873 ( 0.043 -0.103 -1.967) 1.971 3.959 ( 2.040 2.499 6.022) 6.831 4.019 ( 6.964 1.873 11.886) 13.903 4.442 ( 2.495 1.225 -0.015) 2.780 4.632 ( -2.820 0.055 -2.976) 4.100 4.797 ( -10.250 -8.111 -1.707) 13.182 5.046 ( -8.791 3.038 0.666) 9.325 5.116 ( -5.497 -2.436 7.904) 9.931 5.461 ( 5.817 2.496 1.134) 6.430 5.603 ( -5.190 0.286 5.200) 7.352 5.892 ( 10.655 -4.400 -1.873) 11.679 5.919 ( 5.742 -2.450 3.303) 7.063 6.221 ( 8.559 2.411 -2.384) 9.206 6.550 ( -2.052 -3.637 -6.347) 7.597 6.736 ( 1.411 -4.918 7.154) 8.796 6.775 ( -1.093 4.046 -5.818) 7.171 6.816 ( 5.796 4.678 1.572) 7.613 7.075 ( -7.854 1.372 -4.431) 9.121 7.172 ( -5.529 4.730 -3.726) 8.175 7.305 ( 1.707 7.935 -3.689) 8.915 7.492 ( -3.670 -4.773 -0.836) 6.079 7.740 ( 0.187 -1.590 -2.001) 2.562 7.818 ( 2.527 -0.815 -0.475) 2.697 7.856 ( -1.357 -1.752 4.932) 5.407 8.138 ( -0.807 1.555 11.990) 12.117 8.417 ( -6.643 -6.163 2.388) 9.371 8.750 ( 2.146 2.626 -0.408) 3.416 8.785 ( 3.338 0.185 -2.008) 3.900 8.932 ( -0.885 2.378 -7.395) 7.818 9.073 ( -3.352 -2.059 -3.164) 5.048 9.310 ( -0.334 1.838 1.671) 2.507 9.621 ( -0.730 4.173 -2.966) 5.172 9.980 ( 7.939 -4.232 0.772) 9.030 10.310 ( 0.473 9.712 2.111) 9.950 10.958 ( -1.754 -2.875 -1.169) 3.565 11.168 ( -3.428 -0.713 3.298) 4.811 11.267 ( 3.375 2.030 2.699) 4.774 11.497 ( -0.712 2.377 6.259) 6.733 11.899 ( 6.109 -5.370 2.273) 8.446 12.149 ( 0.645 0.028 6.029) 6.063 12.276 ( 0.658 4.142 -5.882) 7.224 12.487 ( -5.386 -5.310 -10.873) 13.245 13.943 ( -0.795 -1.421 -4.190) 4.495 13.958 ( 2.334 2.305 0.307) 3.295 13.989 ( 5.813 4.064 -3.467) 7.895 14.318 ( -2.299 -3.041 14.068) 14.576 15.417 ( -1.152 -1.540 -14.639) 14.765 15.668 ( -4.175 -0.798 13.688) 14.333 15.966 ( 3.283 -1.789 -14.415) 14.892 16.234 ( -17.348 -3.714 11.576) 21.184 17.327 ( 4.936 -1.192 -8.517) 9.916 18.132 ( -20.430 -10.333 3.363) 23.140 18.738 ( -2.020 -3.904 6.121) 7.536 19.123 ( -6.300 7.226 1.434) 9.693 19.762 ( 6.038 -0.461 -0.271) 6.062 19.942 ( 2.174 -2.601 2.484) 4.203 21.023 ( 11.138 -13.148 -5.631) 18.129 21.236 ( 3.693 2.794 8.724) 9.877 21.572 ( -4.658 -2.721 -4.371) 6.943 21.899 ( -9.143 1.568 -1.397) 9.382 22.465 ( 5.205 -4.941 -7.408) 10.314 22.711 ( -2.279 1.005 6.674) 7.124 ======================= Grid point 248 (107/132) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 23.603 5.460 -4.734) 24.685 2.243 ( 17.652 7.186 15.110) 24.322 2.373 ( 10.511 -0.435 -2.738) 10.870 2.443 ( 8.330 -0.009 11.135) 13.906 2.788 ( -7.178 -3.092 -7.266) 10.672 2.960 ( -3.208 -3.152 -5.219) 6.889 3.014 ( -0.060 0.937 -13.230) 13.263 3.376 ( -15.559 -2.189 3.427) 16.082 3.521 ( 3.462 5.273 3.074) 7.017 3.794 ( -4.323 0.428 -5.900) 7.327 4.018 ( 10.503 3.275 0.645) 11.020 4.098 ( 11.697 -1.830 -0.913) 11.875 4.281 ( 9.818 4.591 1.941) 11.011 4.450 ( -2.496 0.115 -1.630) 2.983 4.529 ( -4.639 -0.800 -3.486) 5.857 4.696 ( 0.307 -3.526 0.792) 3.626 4.861 ( -9.261 3.750 2.500) 10.299 4.990 ( -12.057 -1.286 8.263) 14.673 5.591 ( 1.406 0.816 12.818) 12.921 5.676 ( 13.738 2.313 3.036) 14.258 5.937 ( -2.076 0.327 -7.797) 8.076 6.084 ( 7.282 -5.057 -1.298) 8.960 6.269 ( -1.983 0.233 -1.768) 2.667 6.434 ( -11.308 -6.559 -7.301) 14.973 6.676 ( 1.548 -0.963 -0.095) 1.825 6.820 ( 1.804 -1.494 -2.190) 3.206 6.941 ( 2.692 -0.317 4.695) 5.421 6.988 ( 1.477 4.349 -0.925) 4.685 7.085 ( 1.204 6.773 -5.465) 8.786 7.358 ( -5.400 0.635 3.893) 6.687 7.425 ( 6.359 4.474 -0.445) 7.788 7.727 ( -0.569 -1.212 -1.336) 1.892 7.799 ( -1.827 0.037 3.746) 4.168 7.963 ( 6.873 -3.694 -2.436) 8.174 8.071 ( -9.559 0.947 -0.398) 9.614 8.263 ( -9.802 -10.260 6.961) 15.805 8.762 ( 0.060 9.456 6.625) 11.546 8.868 ( 4.682 -6.023 2.072) 7.905 8.916 ( 2.697 4.342 -14.807) 15.665 9.017 ( -2.383 -2.824 0.267) 3.705 9.349 ( 3.342 6.001 2.805) 7.420 9.561 ( -3.165 6.322 -4.197) 8.222 10.126 ( 7.055 -1.008 -0.928) 7.187 10.317 ( -2.301 5.336 3.672) 6.875 10.942 ( 1.741 -3.179 -3.349) 4.935 11.084 ( -5.627 0.959 2.933) 6.417 11.376 ( 5.460 0.369 0.383) 5.486 11.507 ( -1.812 1.452 4.908) 5.430 12.020 ( 3.636 -5.678 7.320) 9.952 12.167 ( -2.151 2.516 5.393) 6.328 12.260 ( 1.353 2.638 -6.432) 7.082 12.346 ( -2.596 -5.354 -10.823) 12.351 13.923 ( 0.928 -2.400 -2.910) 3.884 13.971 ( -0.635 -0.763 0.344) 1.050 14.110 ( 8.370 -0.783 -7.530) 11.286 14.308 ( -6.459 -4.639 13.968) 16.073 15.411 ( 8.237 -2.166 -14.311) 16.653 15.656 ( -5.991 -1.886 15.255) 16.498 15.930 ( 0.767 -3.726 -13.291) 13.824 15.996 ( -11.247 -3.394 9.027) 14.816 17.390 ( 6.425 -1.281 -7.033) 9.612 17.778 ( -16.610 -5.415 3.861) 17.892 18.771 ( 1.430 -1.581 7.372) 7.674 18.995 ( -5.877 4.472 -3.283) 8.081 19.869 ( 4.404 -0.760 0.717) 4.526 19.966 ( -0.228 -2.082 0.337) 2.121 21.177 ( 7.472 -6.542 -2.615) 10.270 21.344 ( 1.741 0.028 5.176) 5.461 21.480 ( -1.577 -1.364 -2.369) 3.155 21.707 ( -8.933 -1.289 -1.548) 9.158 22.536 ( 6.025 -4.211 -7.851) 10.755 22.678 ( -4.705 -0.780 7.545) 8.926 ======================= Grid point 249 (108/132) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -10.015 1.489 -0.439) 10.135 2.280 ( 10.015 1.489 0.439) 10.135 2.524 ( 3.747 -0.766 -9.329) 10.082 2.524 ( -3.747 -0.766 9.329) 10.082 2.795 ( -10.851 3.135 -9.732) 14.909 2.795 ( 10.851 3.135 9.732) 14.909 3.093 ( 13.317 -4.792 -7.350) 15.948 3.093 ( -13.317 -4.792 7.350) 15.948 3.650 ( -6.588 3.796 -4.848) 9.017 3.650 ( 6.588 3.796 4.848) 9.017 4.202 ( -2.202 0.578 -4.841) 5.349 4.202 ( 2.202 0.578 4.841) 5.349 4.367 ( -0.591 0.732 -4.030) 4.139 4.367 ( 0.591 0.732 4.030) 4.139 4.608 ( 11.564 3.760 -8.783) 15.000 4.608 ( -11.564 3.760 8.783) 15.000 4.815 ( 2.414 -1.602 -2.317) 3.710 4.815 ( -2.414 -1.602 2.317) 3.710 5.759 ( -6.230 0.893 -16.381) 17.548 5.759 ( 6.230 0.893 16.381) 17.548 6.034 ( -16.486 -0.664 -6.457) 17.718 6.034 ( 16.486 -0.664 6.457) 17.718 6.217 ( 3.133 -2.918 -6.417) 7.714 6.217 ( -3.133 -2.918 6.417) 7.714 6.771 ( -3.829 -3.663 -1.455) 5.495 6.771 ( 3.829 -3.663 1.455) 5.495 6.993 ( -0.095 1.235 -4.762) 4.921 6.993 ( 0.095 1.235 4.762) 4.921 7.192 ( 5.123 5.664 -3.788) 8.525 7.192 ( -5.123 5.664 3.788) 8.525 7.651 ( -4.711 -1.121 -7.622) 9.030 7.651 ( 4.711 -1.121 7.622) 9.030 7.833 ( -3.940 4.232 -7.319) 9.327 7.833 ( 3.940 4.232 7.319) 9.327 8.116 ( 7.050 -9.165 -3.966) 12.224 8.116 ( -7.050 -9.165 3.966) 12.224 8.841 ( -1.629 7.835 -12.801) 15.097 8.841 ( 1.629 7.835 12.801) 15.097 8.963 ( -0.214 -5.763 -4.155) 7.108 8.963 ( 0.214 -5.763 4.155) 7.108 9.456 ( -4.633 7.347 -4.663) 9.858 9.456 ( 4.633 7.347 4.663) 9.858 10.249 ( 1.543 1.925 -2.806) 3.736 10.249 ( -1.543 1.925 2.806) 3.736 10.993 ( 3.806 -1.276 -4.013) 5.676 10.993 ( -3.806 -1.276 4.013) 5.676 11.468 ( 2.319 0.841 -3.816) 4.545 11.468 ( -2.319 0.841 3.816) 4.545 12.119 ( -2.746 -1.517 -4.643) 5.604 12.119 ( 2.746 -1.517 4.643) 5.604 12.272 ( 2.258 -1.110 -8.154) 8.533 12.272 ( -2.258 -1.110 8.154) 8.533 13.945 ( 0.998 -2.532 -2.623) 3.780 13.945 ( -0.998 -2.532 2.623) 3.780 14.226 ( 8.257 -3.699 -12.422) 15.368 14.226 ( -8.257 -3.699 12.422) 15.368 15.550 ( 12.065 -2.944 -14.612) 19.176 15.550 ( -12.065 -2.944 14.612) 19.176 15.903 ( 3.273 -3.337 -10.874) 11.836 15.903 ( -3.273 -3.337 10.874) 11.836 17.527 ( 11.066 -2.595 -5.573) 12.658 17.527 ( -11.066 -2.595 5.573) 12.658 18.866 ( 2.567 1.524 -18.856) 19.091 18.866 ( -2.567 1.524 18.856) 19.091 19.940 ( -1.961 -1.475 -0.855) 2.598 19.940 ( 1.961 -1.475 0.855) 2.598 21.301 ( -4.828 -2.588 -0.059) 5.478 21.301 ( 4.828 -2.588 0.059) 5.478 21.543 ( -5.384 -1.667 -2.869) 6.324 21.543 ( 5.384 -1.667 2.869) 6.324 22.613 ( 5.405 -2.636 -11.497) 12.974 22.613 ( -5.405 -2.636 11.497) 12.974 ======================= Grid point 255 (109/132) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -2.895 8.125 -10.375) 13.492 1.185 ( 2.895 8.125 10.375) 13.492 1.741 ( -3.386 18.960 -8.901) 21.218 1.741 ( 3.386 18.960 8.901) 21.218 2.759 ( -1.313 10.188 -26.576) 28.492 2.759 ( 1.313 10.188 26.576) 28.492 3.245 ( 0.107 2.857 -13.087) 13.396 3.245 ( -0.107 2.857 13.087) 13.396 3.404 ( -0.879 0.723 -3.817) 3.983 3.404 ( 0.879 0.723 3.817) 3.983 3.935 ( -0.178 -7.203 -8.883) 11.438 3.935 ( 0.178 -7.203 8.883) 11.438 4.368 ( 1.750 6.192 -7.683) 10.021 4.368 ( -1.750 6.192 7.683) 10.021 4.924 ( -5.103 -6.515 -4.035) 9.207 4.924 ( 5.103 -6.515 4.035) 9.207 5.113 ( 3.823 0.994 -7.098) 8.124 5.113 ( -3.823 0.994 7.098) 8.124 5.371 ( -2.797 -4.887 -3.299) 6.526 5.371 ( 2.797 -4.887 3.299) 6.526 5.641 ( -6.836 -0.079 -6.770) 9.621 5.641 ( 6.836 -0.079 6.770) 9.621 6.324 ( -4.572 2.754 -9.978) 11.316 6.324 ( 4.572 2.754 9.978) 11.316 6.715 ( -1.852 0.924 -6.289) 6.621 6.715 ( 1.852 0.924 6.289) 6.621 6.992 ( 0.878 -3.701 -2.002) 4.299 6.992 ( -0.878 -3.701 2.002) 4.299 7.504 ( -1.121 -3.808 -2.643) 4.769 7.504 ( 1.121 -3.808 2.643) 4.769 7.674 ( 0.688 1.589 -1.530) 2.311 7.674 ( -0.688 1.589 1.530) 2.311 7.853 ( 1.586 6.240 -11.118) 12.848 7.853 ( -1.586 6.240 11.118) 12.848 8.303 ( 0.646 2.831 -9.470) 9.905 8.303 ( -0.646 2.831 9.470) 9.905 8.695 ( -1.673 1.026 -5.178) 5.538 8.695 ( 1.673 1.026 5.178) 5.538 9.030 ( -5.027 -9.315 -6.211) 12.272 9.030 ( 5.027 -9.315 6.211) 12.272 9.615 ( 0.617 -2.711 -5.824) 6.453 9.615 ( -0.617 -2.711 5.824) 6.453 9.814 ( -14.078 5.347 -2.787) 15.315 9.814 ( 14.078 5.347 2.787) 15.315 10.964 ( 0.855 1.978 -7.204) 7.519 10.964 ( -0.855 1.978 7.204) 7.519 11.519 ( 3.298 1.465 -4.500) 5.768 11.519 ( -3.298 1.465 4.500) 5.768 11.887 ( -2.039 -2.603 -3.729) 4.984 11.887 ( 2.039 -2.603 3.729) 4.984 12.624 ( -2.069 7.449 -0.235) 7.734 12.624 ( 2.069 7.449 0.235) 7.734 14.004 ( 1.437 2.738 -5.052) 5.923 14.004 ( -1.437 2.738 5.052) 5.923 14.363 ( -1.972 12.001 -13.991) 18.538 14.363 ( 1.972 12.001 13.991) 18.538 15.782 ( 7.903 2.364 -10.152) 13.081 15.782 ( -7.903 2.364 10.152) 13.081 16.505 ( 0.275 -2.126 -12.882) 13.059 16.505 ( -0.275 -2.126 12.882) 13.059 17.610 ( -38.673 -12.925 8.943) 41.745 17.610 ( 38.673 -12.925 -8.943) 41.745 18.940 ( -5.012 -3.054 -4.686) 7.510 18.940 ( 5.012 -3.054 4.686) 7.510 19.453 ( 2.130 0.074 -5.078) 5.508 19.453 ( -2.130 0.074 5.078) 5.508 20.679 ( -9.685 -8.750 -22.038) 25.613 20.679 ( 9.685 -8.750 22.038) 25.613 22.038 ( -11.140 0.210 1.613) 11.258 22.038 ( 11.140 0.210 -1.613) 11.258 22.536 ( -1.955 1.590 -4.428) 5.094 22.536 ( 1.955 1.590 4.428) 5.094 ======================= Grid point 257 (110/132) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 9.253 16.151 -0.395) 18.618 1.398 ( 9.706 5.299 9.098) 14.320 1.667 ( 1.695 15.246 -7.229) 16.958 1.879 ( 6.250 16.099 1.062) 17.302 2.691 ( 8.612 11.567 -22.579) 26.791 2.947 ( 5.407 1.725 8.295) 10.051 3.228 ( 3.290 0.677 1.883) 3.850 3.295 ( -0.532 4.738 3.225) 5.756 3.423 ( 2.920 3.375 4.132) 6.082 3.503 ( 6.582 1.706 4.818) 8.334 3.855 ( -3.466 -6.505 -3.433) 8.131 3.967 ( -2.012 -7.648 5.427) 9.591 4.215 ( -7.720 6.225 1.093) 9.977 4.454 ( 2.263 6.624 -3.641) 7.890 4.790 ( -6.025 -5.941 0.557) 8.479 5.035 ( 1.050 -3.717 3.802) 5.420 5.107 ( 2.138 -0.105 0.662) 2.241 5.176 ( 1.368 -3.539 -2.075) 4.325 5.295 ( -1.142 -0.704 -6.135) 6.280 5.441 ( 0.961 -3.960 2.597) 4.832 5.548 ( 4.213 -1.393 0.777) 4.505 5.752 ( 0.304 -0.996 3.564) 3.713 6.208 ( -0.757 6.149 -8.350) 10.397 6.457 ( 2.834 0.097 8.870) 9.312 6.663 ( 0.782 -1.476 -2.924) 3.367 6.765 ( -1.520 4.520 0.712) 4.821 6.962 ( -1.950 -3.514 -0.546) 4.056 7.022 ( 3.326 -3.840 2.661) 5.735 7.436 ( -2.839 -3.424 0.332) 4.460 7.568 ( -3.356 -0.383 -6.189) 7.050 7.593 ( 1.284 -2.920 0.576) 3.241 7.664 ( -2.732 3.992 0.586) 4.873 7.816 ( 0.288 5.846 -3.521) 6.830 7.963 ( 5.025 3.030 2.480) 6.371 8.128 ( -9.341 4.241 4.178) 11.077 8.428 ( 4.256 0.089 -0.203) 4.262 8.649 ( -2.489 -1.192 -1.098) 2.970 8.837 ( 4.602 2.731 2.032) 5.724 8.861 ( -0.123 -5.243 -4.019) 6.607 9.107 ( -0.595 -7.730 1.729) 7.944 9.441 ( -9.694 -5.568 -1.611) 11.295 9.620 ( -0.154 1.716 -0.105) 1.726 9.735 ( 3.407 8.845 -0.892) 9.521 10.178 ( 16.915 -1.837 0.636) 17.026 10.962 ( 2.066 1.053 -4.493) 5.057 11.004 ( 0.129 2.357 8.359) 8.686 11.472 ( -2.393 3.056 1.090) 4.032 11.586 ( 5.905 -1.358 -7.724) 9.817 11.742 ( -9.107 0.332 1.637) 9.259 11.958 ( 1.913 -1.940 2.142) 3.466 12.511 ( -5.363 10.595 1.090) 11.925 12.680 ( 0.079 2.476 -2.153) 3.282 13.973 ( -2.532 -0.613 0.121) 2.608 14.006 ( -0.125 4.701 -0.382) 4.719 14.216 ( -4.304 12.728 -7.381) 15.329 14.412 ( -5.130 8.080 12.095) 15.424 15.666 ( -8.245 -0.224 7.685) 11.274 15.845 ( 1.954 1.817 -7.677) 8.127 16.115 ( -14.966 1.915 -3.924) 15.590 16.794 ( -3.070 -10.446 -7.736) 13.356 17.055 ( -8.214 0.479 11.728) 14.326 18.150 ( 7.885 -22.921 3.258) 24.457 18.879 ( 0.856 -2.431 3.756) 4.556 19.216 ( 18.431 -4.265 7.259) 20.263 19.394 ( -3.195 1.849 3.517) 5.099 19.501 ( 4.782 -1.703 -5.312) 7.347 20.427 ( -0.322 -9.524 -24.785) 26.554 20.994 ( 9.928 -4.840 15.043) 18.662 21.800 ( -11.924 -0.490 0.669) 11.953 22.164 ( 1.328 -1.055 -1.311) 2.144 22.429 ( -4.096 1.219 -1.529) 4.539 22.649 ( 4.524 1.077 1.830) 4.998 ======================= Grid point 258 (111/132) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 18.515 21.917 2.712) 28.818 1.591 ( 9.528 10.356 -5.860) 15.244 1.787 ( 10.041 4.935 12.164) 16.527 2.020 ( 9.310 7.287 -3.261) 12.264 2.788 ( 8.441 5.333 -15.615) 18.535 3.039 ( 4.934 -2.632 -6.500) 8.574 3.262 ( -2.305 3.393 -3.714) 5.533 3.401 ( 8.402 1.121 9.669) 12.859 3.529 ( 4.330 2.950 6.307) 8.199 3.670 ( 2.305 -2.721 0.699) 3.634 3.789 ( 1.458 0.861 5.510) 5.764 3.923 ( -2.917 -7.958 2.569) 8.856 4.110 ( -2.866 9.909 -0.016) 10.315 4.449 ( 0.466 3.251 -3.651) 4.911 4.688 ( -4.934 -2.765 1.608) 5.880 4.931 ( -10.253 -1.659 -3.869) 11.083 5.124 ( -3.420 -1.535 2.564) 4.542 5.147 ( 0.120 -1.177 0.609) 1.331 5.351 ( 7.037 -0.246 -1.209) 7.145 5.567 ( 10.225 -4.022 -0.605) 11.004 5.672 ( 0.607 -2.364 3.391) 4.178 5.750 ( 2.943 1.138 6.692) 7.399 6.209 ( 4.159 6.362 -7.005) 10.337 6.521 ( -0.885 -3.784 5.839) 7.014 6.687 ( -4.000 1.431 -2.893) 5.139 6.714 ( 4.914 -2.837 -1.134) 5.787 6.920 ( -0.928 2.469 -2.859) 3.890 7.133 ( 3.817 -2.566 5.562) 7.218 7.358 ( -6.534 -0.393 1.090) 6.636 7.424 ( -5.520 -4.907 -7.430) 10.476 7.567 ( -2.841 3.689 -3.272) 5.690 7.661 ( 0.909 -0.914 1.753) 2.176 7.795 ( 0.156 3.497 -5.219) 6.284 7.943 ( -5.020 2.168 -0.180) 5.471 8.133 ( 3.354 6.761 10.733) 13.121 8.438 ( -4.128 -3.883 -0.224) 5.671 8.592 ( 0.549 -4.344 0.244) 4.385 8.850 ( 2.249 3.356 -2.696) 4.856 9.016 ( 6.323 -1.988 -1.556) 6.809 9.051 ( -4.074 -1.245 0.914) 4.357 9.318 ( -1.833 -3.315 0.318) 3.801 9.625 ( 1.090 0.283 -0.819) 1.393 9.837 ( 6.753 6.422 -0.540) 9.335 10.420 ( 7.129 1.239 -0.389) 7.247 10.967 ( -0.586 0.136 -2.300) 2.377 11.056 ( 1.240 1.276 7.324) 7.537 11.430 ( -2.881 5.816 1.165) 6.594 11.562 ( -4.625 0.480 -1.075) 4.772 11.692 ( 3.897 -3.216 -0.238) 5.058 12.015 ( 3.920 -2.986 -0.387) 4.943 12.434 ( -2.917 8.590 -0.102) 9.072 12.600 ( -6.022 1.094 -3.764) 7.185 13.922 ( -1.275 -3.750 -3.430) 5.239 14.003 ( -0.234 4.330 0.717) 4.396 14.136 ( -1.851 9.788 -2.720) 10.327 14.324 ( -8.431 2.102 10.590) 13.698 15.528 ( -6.896 -2.233 -4.545) 8.556 15.735 ( -8.548 1.429 4.942) 9.977 15.959 ( 0.267 -0.281 -9.633) 9.641 16.449 ( -20.703 -7.530 8.655) 23.669 17.206 ( 9.515 -1.346 -7.032) 11.908 18.091 ( -10.665 -19.698 6.539) 23.335 18.805 ( -7.113 1.235 0.864) 7.271 19.343 ( -5.593 3.577 6.175) 9.067 19.589 ( 9.785 -5.571 -1.868) 11.413 19.690 ( 13.267 -5.208 7.661) 16.181 20.459 ( 15.997 -11.779 -19.496) 27.834 21.204 ( 3.888 1.324 11.827) 12.520 21.611 ( -6.339 -3.570 -2.249) 7.615 22.075 ( -8.600 -3.331 -0.776) 9.255 22.377 ( 0.208 0.562 -3.594) 3.644 22.715 ( 0.624 -0.141 2.906) 2.975 ======================= Grid point 259 (112/132) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 12.645 12.139 -9.422) 19.900 1.986 ( 20.270 12.497 10.923) 26.198 2.104 ( 12.354 2.401 15.596) 20.040 2.215 ( 12.858 2.995 -6.296) 14.627 2.813 ( 2.578 -1.092 -13.007) 13.305 3.027 ( -5.682 -4.530 -3.800) 8.201 3.179 ( -2.387 3.412 -7.251) 8.362 3.504 ( -7.439 -5.130 4.483) 10.088 3.574 ( 1.389 5.735 1.514) 6.092 3.748 ( 10.735 -4.520 5.885) 13.051 3.851 ( -0.857 -2.096 -2.650) 3.486 4.031 ( 8.143 0.017 5.849) 10.026 4.120 ( 6.480 13.056 -1.791) 14.686 4.470 ( 3.402 -0.110 -1.161) 3.597 4.622 ( -1.976 -0.379 0.385) 2.048 4.696 ( -10.236 0.048 -3.445) 10.801 5.059 ( -5.124 -2.506 2.643) 6.286 5.107 ( -4.716 3.159 3.084) 6.460 5.493 ( 6.198 0.877 1.467) 6.430 5.646 ( -0.623 3.401 4.200) 5.440 5.796 ( 11.224 -3.448 -0.043) 11.742 5.904 ( 5.395 -0.208 5.593) 7.773 6.268 ( 4.643 1.973 -6.470) 8.204 6.435 ( -7.256 -7.352 -4.742) 11.366 6.646 ( -0.398 -3.097 2.563) 4.040 6.818 ( 4.390 -2.408 0.023) 5.007 6.902 ( 0.698 5.369 -2.522) 5.973 7.128 ( -5.931 2.263 -4.061) 7.536 7.217 ( -6.664 0.149 0.327) 6.674 7.337 ( -0.583 -9.764 6.141) 11.550 7.520 ( 0.888 9.696 -5.890) 11.380 7.678 ( 0.398 -3.725 0.492) 3.778 7.783 ( 1.156 -0.875 -3.640) 3.918 7.871 ( -1.827 3.892 -1.386) 4.517 8.227 ( -1.622 6.664 11.369) 13.278 8.304 ( -9.201 -5.854 1.046) 10.955 8.657 ( 4.584 -4.763 2.241) 6.980 8.826 ( -1.156 -2.259 -3.471) 4.300 9.021 ( -1.043 5.468 3.968) 6.836 9.075 ( 2.971 3.852 -7.639) 9.057 9.352 ( 3.965 0.495 0.208) 4.001 9.645 ( 0.952 -1.305 -1.435) 2.161 9.985 ( 8.197 4.594 -0.485) 9.409 10.482 ( 0.161 6.197 0.516) 6.221 10.918 ( -2.576 -0.696 -1.393) 3.010 11.113 ( 0.044 -1.421 4.053) 4.295 11.380 ( -2.010 6.535 4.411) 8.137 11.529 ( -0.064 0.445 1.444) 1.512 11.769 ( 3.345 -7.381 2.447) 8.465 12.109 ( 6.611 -4.005 -4.835) 9.118 12.377 ( -3.292 4.120 -1.113) 5.390 12.434 ( -7.250 3.136 -4.286) 8.987 13.887 ( 0.201 -4.059 -6.373) 7.559 13.994 ( -1.930 0.995 1.461) 2.617 14.084 ( -1.786 4.403 -1.493) 4.981 14.238 ( -5.937 -4.639 10.808) 13.175 15.381 ( -1.988 -1.764 -11.446) 11.750 15.650 ( -5.489 -0.848 12.273) 13.471 15.909 ( -0.066 -4.018 -12.240) 12.883 16.122 ( -16.842 -7.338 9.020) 20.467 17.303 ( 4.837 -1.048 -6.725) 8.350 17.875 ( -13.390 -13.751 4.641) 19.747 18.724 ( -0.354 2.133 -0.232) 2.174 19.233 ( -8.387 3.704 5.151) 10.517 19.741 ( 6.719 -2.060 -0.920) 7.088 19.866 ( 3.154 -4.856 3.126) 6.581 20.752 ( 17.681 -11.761 -8.381) 22.829 21.299 ( 0.912 2.910 8.788) 9.303 21.513 ( -2.700 -3.642 -3.128) 5.508 21.860 ( -11.780 -5.299 -0.912) 12.949 22.391 ( 3.432 -1.649 -4.884) 6.193 22.706 ( -3.152 -1.494 3.897) 5.230 ======================= Grid point 260 (113/132) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 16.945 5.006 -5.002) 18.364 2.336 ( 8.753 0.473 5.771) 10.495 2.372 ( 4.862 -1.633 11.230) 12.346 2.518 ( 19.868 10.020 -1.299) 22.290 2.732 ( -9.146 -1.880 -1.295) 9.426 2.870 ( 0.465 -4.177 -10.301) 11.125 3.070 ( -5.071 4.138 -6.453) 9.191 3.314 ( -13.269 -3.856 2.854) 14.110 3.611 ( 1.455 2.399 3.717) 4.657 3.787 ( -2.813 -0.597 -4.855) 5.643 4.002 ( 9.261 -4.978 6.079) 12.145 4.154 ( 5.008 3.492 -0.986) 6.184 4.321 ( 9.571 2.157 -3.261) 10.339 4.516 ( -5.412 1.700 -0.233) 5.678 4.566 ( 6.307 8.605 -1.850) 10.828 4.634 ( 3.841 -1.106 0.822) 4.081 4.934 ( -8.096 -0.649 0.619) 8.146 4.991 ( -9.988 6.408 5.239) 12.972 5.620 ( 4.200 1.682 10.713) 11.629 5.736 ( 9.087 3.259 0.411) 9.662 5.944 ( -0.465 0.696 -7.799) 7.844 6.010 ( 7.165 -2.034 4.677) 8.795 6.224 ( -7.912 -6.481 -3.672) 10.867 6.294 ( -3.327 -4.361 -5.708) 7.916 6.657 ( 1.531 -1.080 -0.374) 1.911 6.821 ( -2.886 0.371 -2.067) 3.569 6.917 ( -0.246 -1.056 3.297) 3.470 7.022 ( -2.149 -2.656 -2.650) 4.324 7.167 ( 4.170 1.674 -1.396) 4.705 7.371 ( -1.988 -0.771 7.551) 7.847 7.545 ( 4.214 6.247 -3.008) 8.114 7.691 ( -0.212 -2.553 1.643) 3.044 7.780 ( 0.148 -3.116 -2.069) 3.743 7.859 ( 2.544 -2.892 -6.779) 7.797 8.098 ( -10.187 -4.303 1.792) 11.203 8.171 ( -8.517 7.040 7.423) 13.312 8.778 ( 5.830 -2.857 1.449) 6.652 8.840 ( 2.756 -1.307 1.200) 3.277 9.009 ( -2.254 6.379 4.141) 7.932 9.064 ( 0.310 6.068 -8.914) 10.788 9.450 ( 5.235 2.812 1.098) 6.043 9.629 ( -1.582 0.066 -2.679) 3.112 10.152 ( 8.735 3.972 -0.233) 9.598 10.449 ( -4.282 6.917 0.818) 8.176 10.889 ( 1.302 -1.762 -1.143) 2.471 11.072 ( -5.266 -1.280 1.909) 5.746 11.419 ( 2.667 3.287 3.871) 5.736 11.529 ( -1.036 0.532 0.683) 1.350 11.871 ( 4.735 -8.851 7.051) 12.267 12.191 ( 1.292 -9.057 -11.589) 14.765 12.243 ( -2.796 4.755 -1.342) 5.677 12.347 ( -2.770 5.908 0.974) 6.598 13.860 ( 0.250 -3.841 -3.756) 5.378 13.938 ( -3.752 -2.453 1.092) 4.614 14.077 ( 3.135 -2.901 -7.003) 8.203 14.181 ( -6.578 -7.529 12.583) 16.071 15.360 ( 6.280 -2.608 -12.068) 13.851 15.605 ( -7.971 -3.066 15.050) 17.304 15.823 ( -0.571 -6.651 -12.973) 14.589 15.905 ( -9.195 -5.518 7.849) 13.289 17.362 ( 5.073 -1.328 -5.269) 7.434 17.642 ( -11.741 -7.469 3.687) 14.396 18.778 ( 5.425 2.430 -0.597) 5.974 19.077 ( -9.345 3.586 3.396) 10.570 19.844 ( 3.910 -1.840 0.022) 4.322 19.906 ( 0.466 -3.784 0.677) 3.872 21.019 ( 12.705 -8.155 -3.699) 15.543 21.339 ( -1.528 -0.550 3.429) 3.794 21.459 ( -1.410 -1.076 0.684) 1.901 21.632 ( -9.555 -6.276 -1.560) 11.537 22.455 ( 5.627 -3.369 -5.410) 8.502 22.641 ( -5.552 -2.780 4.765) 7.827 ======================= Grid point 261 (114/132) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -11.568 -1.306 0.666) 11.661 2.287 ( 11.568 -1.306 -0.666) 11.661 2.517 ( 4.388 0.099 -4.282) 6.132 2.517 ( -4.388 0.099 4.282) 6.132 2.867 ( -4.185 3.335 -9.428) 10.841 2.867 ( 4.185 3.335 9.428) 10.841 3.032 ( 4.727 0.046 -6.854) 8.326 3.032 ( -4.727 0.046 6.854) 8.326 3.690 ( -3.622 0.077 -5.173) 6.315 3.690 ( 3.622 0.077 5.173) 6.315 4.160 ( -1.515 -5.032 -7.430) 9.100 4.160 ( 1.515 -5.032 7.430) 9.100 4.429 ( 4.964 4.564 -2.307) 7.127 4.429 ( -4.964 4.564 2.307) 7.127 4.754 ( -4.863 8.859 -3.067) 10.561 4.754 ( 4.863 8.859 3.067) 10.561 4.781 ( 4.392 1.219 -4.178) 6.183 4.781 ( -4.392 1.219 4.177) 6.183 5.793 ( -5.079 2.109 -16.021) 16.938 5.793 ( 5.079 2.109 16.021) 16.938 5.985 ( -13.946 -4.153 0.272) 14.554 5.985 ( 13.946 -4.153 -0.272) 14.554 6.170 ( -3.924 -1.162 -7.218) 8.297 6.170 ( 3.924 -1.162 7.218) 8.297 6.726 ( -2.514 -1.083 -1.059) 2.935 6.726 ( 2.514 -1.083 1.059) 2.935 6.961 ( -2.186 -4.009 -3.844) 5.969 6.961 ( 2.186 -4.009 3.844) 5.969 7.303 ( 7.308 4.013 -4.751) 9.596 7.303 ( -7.308 4.013 4.751) 9.596 7.635 ( -1.322 -0.554 -4.319) 4.551 7.635 ( 1.322 -0.554 4.319) 4.551 7.826 ( -0.433 -8.410 -3.485) 9.113 7.826 ( 0.433 -8.410 3.485) 9.113 8.040 ( 5.414 5.912 -10.615) 13.302 8.040 ( -5.414 5.912 10.615) 13.302 8.871 ( 1.552 -2.559 -4.207) 5.163 8.871 ( -1.552 -2.559 4.207) 5.163 9.009 ( 0.005 7.793 -8.140) 11.269 9.009 ( -0.005 7.793 8.140) 11.269 9.557 ( -3.129 1.931 -3.772) 5.267 9.557 ( 3.129 1.931 3.772) 5.267 10.322 ( -3.780 5.208 -3.190) 7.182 10.322 ( 3.780 5.208 3.190) 7.182 10.961 ( -2.193 -1.473 -0.972) 2.815 10.961 ( 2.193 -1.473 0.972) 2.815 11.490 ( -0.365 1.111 -3.901) 4.072 11.490 ( 0.365 1.111 3.901) 4.072 12.029 ( -5.844 -7.681 -10.427) 14.208 12.029 ( 5.844 -7.681 10.427) 14.208 12.294 ( 3.772 3.869 -12.975) 14.055 12.294 ( -3.772 3.869 12.975) 14.055 13.875 ( 1.006 -4.248 -4.058) 5.960 13.875 ( -1.006 -4.248 4.058) 5.960 14.119 ( 5.901 -6.768 -12.184) 15.135 14.119 ( -5.901 -6.768 12.184) 15.135 15.475 ( 11.136 -4.128 -12.815) 17.472 15.475 ( -11.136 -4.128 12.815) 17.472 15.812 ( 3.924 -5.485 -10.402) 12.397 15.812 ( -3.924 -5.485 10.402) 12.397 17.465 ( 8.010 -3.305 -4.234) 9.644 17.465 ( -8.010 -3.305 4.234) 9.644 18.912 ( 3.760 3.104 -15.951) 16.680 18.912 ( -3.760 3.104 15.951) 16.680 19.898 ( 0.249 -2.717 -2.259) 3.543 19.898 ( -0.249 -2.717 2.259) 3.543 21.228 ( -9.631 -4.525 1.378) 10.730 21.228 ( 9.631 -4.525 -1.378) 10.730 21.494 ( -2.371 -3.157 -4.296) 5.835 21.494 ( 2.371 -3.157 4.296) 5.835 22.547 ( 4.552 -3.605 -9.330) 10.989 22.547 ( -4.552 -3.605 9.330) 10.989 ======================= Grid point 267 (115/132) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.546 11.411 -6.882) 13.337 1.385 ( -0.546 11.411 6.882) 13.337 2.130 ( -4.322 18.704 -4.420) 19.699 2.130 ( 4.322 18.704 4.420) 19.699 2.898 ( -0.334 1.851 -16.536) 16.643 2.898 ( 0.334 1.851 16.536) 16.643 3.271 ( -5.565 1.606 -13.310) 14.515 3.271 ( 5.565 1.606 13.310) 14.515 3.442 ( -1.297 0.671 -3.848) 4.116 3.442 ( 1.297 0.671 3.848) 4.116 3.755 ( -1.323 -8.953 -7.161) 11.541 3.755 ( 1.323 -8.953 7.161) 11.541 4.617 ( 2.665 17.697 -6.138) 18.920 4.617 ( -2.665 17.697 6.138) 18.920 4.780 ( -7.845 -6.426 1.011) 10.191 4.780 ( 7.845 -6.426 -1.011) 10.191 5.114 ( -0.729 -0.348 -5.728) 5.785 5.114 ( 0.729 -0.348 5.728) 5.785 5.295 ( -1.479 -2.940 -1.540) 3.634 5.295 ( 1.479 -2.940 1.540) 3.634 5.668 ( -5.051 2.495 -6.189) 8.369 5.668 ( 5.051 2.495 6.189) 8.369 6.369 ( -2.799 0.199 -7.464) 7.973 6.369 ( 2.799 0.199 7.464) 7.973 6.684 ( -1.370 -5.378 -9.615) 11.102 6.684 ( 1.370 -5.378 9.615) 11.102 6.922 ( 0.095 -1.556 -6.899) 7.073 6.922 ( -0.095 -1.556 6.899) 7.073 7.404 ( 1.430 -4.511 -1.428) 4.943 7.404 ( -1.430 -4.511 1.428) 4.943 7.675 ( -3.088 -1.356 -1.178) 3.572 7.675 ( 3.088 -1.356 1.178) 3.572 7.951 ( -0.822 2.388 -9.439) 9.771 7.951 ( 0.822 2.388 9.439) 9.771 8.352 ( 0.696 2.145 -5.983) 6.394 8.352 ( -0.696 2.145 5.983) 6.394 8.724 ( -1.730 1.680 -3.221) 4.024 8.724 ( 1.730 1.680 3.221) 4.024 8.938 ( -2.363 -0.233 -0.164) 2.380 8.938 ( 2.363 -0.233 0.164) 2.380 9.498 ( -5.806 -6.997 -3.423) 9.715 9.498 ( 5.806 -6.997 3.423) 9.715 9.963 ( -5.191 7.745 -0.640) 9.346 9.963 ( 5.191 7.745 0.640) 9.346 11.063 ( 0.044 7.015 -5.525) 8.930 11.063 ( -0.044 7.015 5.525) 8.930 11.528 ( 1.343 -0.611 -6.798) 6.956 11.528 ( -1.343 -0.611 6.798) 6.956 11.837 ( 1.725 -2.231 -1.679) 3.282 11.837 ( -1.725 -2.231 1.679) 3.282 12.781 ( 1.641 7.303 -2.611) 7.928 12.781 ( -1.641 7.303 2.611) 7.928 14.062 ( 1.292 3.613 -6.141) 7.242 14.062 ( -1.292 3.613 6.141) 7.242 14.514 ( 0.495 3.111 -10.939) 11.384 14.514 ( -0.495 3.111 10.939) 11.384 15.872 ( 2.282 6.618 -2.947) 7.596 15.872 ( -2.282 6.618 2.947) 7.596 16.450 ( 12.850 -3.560 -18.509) 22.811 16.450 ( -12.850 -3.560 18.509) 22.811 17.395 ( -12.616 -8.464 0.245) 15.195 17.395 ( 12.616 -8.464 -0.245) 15.195 18.895 ( -5.132 -1.457 -4.283) 6.841 18.895 ( 5.132 -1.457 4.283) 6.841 19.444 ( 0.667 -0.858 -4.449) 4.579 19.444 ( -0.667 -0.858 4.449) 4.579 20.507 ( -9.015 -7.983 -17.085) 20.902 20.507 ( 9.015 -7.983 17.085) 20.902 22.039 ( -8.632 -0.076 1.489) 8.759 22.039 ( 8.632 -0.076 -1.489) 8.759 22.565 ( -2.565 1.266 -1.994) 3.486 22.565 ( 2.565 1.266 1.994) 3.486 ======================= Grid point 269 (116/132) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 9.713 8.609 1.406) 13.055 1.539 ( 11.154 12.643 10.033) 19.619 2.014 ( -2.448 18.298 -6.985) 19.738 2.208 ( 2.251 15.999 -5.221) 16.979 2.830 ( 1.906 -0.042 -13.878) 14.008 2.992 ( 1.031 2.836 6.356) 7.035 3.155 ( -0.778 -3.864 5.994) 7.174 3.374 ( -0.988 -0.145 2.061) 2.290 3.485 ( 4.181 0.426 2.252) 4.768 3.555 ( 8.972 2.940 0.537) 9.457 3.697 ( -0.185 -8.098 -2.477) 8.470 3.788 ( -1.919 -7.070 5.183) 8.974 4.508 ( -4.930 20.332 -2.036) 21.020 4.572 ( -4.402 0.468 -6.153) 7.580 4.734 ( -0.565 4.812 2.822) 5.607 4.953 ( 6.856 -2.133 5.019) 8.761 5.070 ( -1.551 -1.644 -1.165) 2.543 5.172 ( 0.983 2.255 1.991) 3.164 5.292 ( 1.936 -0.405 -2.866) 3.482 5.351 ( 3.863 -4.086 0.764) 5.674 5.568 ( 0.207 2.855 -1.700) 3.330 5.755 ( 0.836 0.957 2.726) 3.008 6.286 ( -0.828 0.564 -4.973) 5.073 6.453 ( 0.988 -2.338 4.089) 4.813 6.638 ( 1.264 -1.393 -6.163) 6.444 6.779 ( 1.183 -11.050 9.110) 14.370 6.824 ( -3.781 0.109 -1.695) 4.145 7.001 ( 2.810 0.847 3.756) 4.767 7.325 ( -3.317 -6.520 0.603) 7.340 7.455 ( 0.082 -4.539 -3.489) 5.725 7.586 ( -3.857 -0.535 -0.398) 3.914 7.717 ( 0.367 -0.400 0.284) 0.612 7.918 ( 2.390 3.987 -8.517) 9.703 8.042 ( 3.533 4.027 4.743) 7.155 8.233 ( -6.344 4.158 2.688) 8.048 8.406 ( -0.195 -0.964 1.130) 1.498 8.603 ( -5.927 -1.537 -2.138) 6.485 8.816 ( 4.880 -0.001 -4.609) 6.713 8.942 ( 2.343 5.294 3.099) 6.567 9.003 ( 2.644 -2.312 3.144) 4.714 9.318 ( -7.043 -5.193 -2.312) 9.051 9.604 ( 2.355 -3.562 0.058) 4.271 9.932 ( 1.545 9.550 -0.292) 9.679 10.152 ( 12.046 0.012 0.231) 12.048 11.049 ( 0.842 6.612 -3.427) 7.494 11.099 ( 0.188 6.424 5.582) 8.512 11.496 ( 0.089 -1.408 -4.940) 5.137 11.554 ( 1.613 -0.921 -2.219) 2.893 11.727 ( -6.798 -0.718 3.952) 7.895 11.926 ( 3.705 -2.006 -0.736) 4.277 12.717 ( -5.084 8.834 1.691) 10.332 12.771 ( -2.230 5.793 -1.470) 6.379 13.974 ( -5.880 1.536 0.168) 6.080 14.094 ( 0.191 4.481 0.722) 4.543 14.391 ( -5.622 4.200 -5.091) 8.670 14.509 ( -6.087 1.714 4.875) 7.984 15.710 ( -10.498 4.910 2.388) 11.833 15.899 ( -2.503 3.535 -1.709) 4.657 16.144 ( -15.041 0.780 4.174) 15.629 16.572 ( -5.832 -11.582 -10.898) 16.938 17.079 ( -2.018 2.050 5.935) 6.595 17.754 ( 6.964 -16.674 1.143) 18.106 18.855 ( 3.126 0.196 3.481) 4.683 19.126 ( 11.438 -4.560 3.671) 12.849 19.419 ( 0.131 0.543 2.921) 2.974 19.465 ( 2.798 -1.765 -4.444) 5.540 20.301 ( -0.352 -3.104 -16.488) 16.782 20.829 ( 13.272 -10.724 11.176) 20.397 21.828 ( -12.197 2.759 1.344) 12.577 22.111 ( -1.546 -3.602 -0.805) 4.002 22.476 ( -3.375 3.093 -0.980) 4.682 22.652 ( 3.300 -0.641 0.577) 3.410 ======================= Grid point 270 (117/132) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 11.306 4.171 5.560) 13.271 1.887 ( 14.900 10.071 11.512) 21.353 1.980 ( 3.588 17.574 -6.409) 19.048 2.212 ( 5.648 12.100 -10.257) 16.838 2.801 ( 2.127 -2.858 -12.407) 12.908 3.009 ( -0.700 -1.582 -0.800) 1.906 3.236 ( -0.917 -4.568 8.204) 9.435 3.401 ( 4.745 -1.849 8.234) 9.682 3.520 ( -1.470 -6.651 -2.595) 7.289 3.672 ( 5.125 5.048 -3.226) 7.884 3.734 ( -3.075 -8.489 5.890) 10.780 3.834 ( 8.970 2.397 3.228) 9.830 4.420 ( -2.586 9.301 -0.477) 9.666 4.481 ( -1.422 9.042 -6.836) 11.424 4.701 ( -2.307 3.012 -1.488) 4.076 4.944 ( -7.892 3.219 -1.101) 8.594 5.113 ( 4.170 -0.114 3.740) 5.603 5.134 ( -4.152 1.430 -1.602) 4.674 5.378 ( 7.948 3.819 1.215) 8.901 5.504 ( 9.957 -2.019 1.369) 10.252 5.642 ( 3.759 -0.491 3.719) 5.310 5.784 ( 2.486 1.351 3.976) 4.880 6.270 ( 0.973 -1.157 -4.423) 4.674 6.447 ( -2.684 -3.996 0.626) 4.854 6.652 ( -1.882 -5.607 -5.580) 8.131 6.680 ( 0.385 -0.578 -4.825) 4.875 6.908 ( 2.987 -2.236 8.184) 8.995 7.075 ( 1.326 -3.707 8.600) 9.458 7.247 ( -5.100 -6.604 -2.472) 8.703 7.360 ( -6.394 -2.290 -3.137) 7.482 7.545 ( -0.382 -1.581 -0.880) 1.849 7.704 ( -1.599 1.907 0.384) 2.518 7.912 ( -0.805 6.280 -4.624) 7.840 8.066 ( -1.116 8.440 -5.102) 9.925 8.231 ( 3.913 0.936 4.047) 5.706 8.357 ( -5.365 -1.843 3.760) 6.805 8.521 ( -1.193 -2.163 2.626) 3.606 8.815 ( -2.081 -4.813 -4.550) 6.943 9.043 ( 4.314 4.211 1.714) 6.267 9.097 ( 6.226 2.853 2.709) 7.365 9.235 ( -0.068 -3.135 -2.079) 3.762 9.620 ( 0.193 -1.458 -1.355) 2.000 9.997 ( 4.772 8.398 -0.031) 9.659 10.380 ( 9.962 -3.664 -0.261) 10.617 11.037 ( -2.297 6.114 0.550) 6.554 11.121 ( 0.061 4.361 2.719) 5.140 11.491 ( 2.497 -2.651 -6.883) 7.787 11.560 ( -1.009 2.511 -1.185) 2.954 11.622 ( -4.777 -3.036 4.333) 7.128 11.977 ( 2.175 -1.714 -0.749) 2.869 12.606 ( -6.312 7.496 -0.794) 9.831 12.686 ( -5.544 6.843 0.265) 8.811 13.856 ( -4.401 -2.033 -2.636) 5.518 14.077 ( -2.664 3.428 1.678) 4.654 14.270 ( -5.161 1.917 -0.678) 5.547 14.341 ( -12.285 0.497 3.862) 12.887 15.516 ( -8.303 1.378 -3.811) 9.240 15.766 ( -9.245 1.708 3.477) 10.023 15.943 ( -6.335 -1.366 -2.935) 7.114 16.262 ( -17.920 -10.658 2.196) 20.965 17.198 ( 7.895 0.610 -4.373) 9.046 17.742 ( -6.058 -14.872 4.194) 16.597 18.853 ( -4.078 3.547 1.413) 5.587 19.383 ( -5.404 0.298 4.899) 7.300 19.422 ( 15.111 -8.615 0.858) 17.415 19.617 ( 9.819 -3.491 0.322) 10.426 20.342 ( 12.574 -0.407 -13.064) 18.137 21.114 ( 9.574 -9.991 8.448) 16.213 21.606 ( -9.813 2.970 -0.303) 10.257 21.980 ( -10.310 -5.268 -0.336) 11.583 22.422 ( -1.403 3.318 -2.317) 4.283 22.688 ( -0.288 -2.292 1.347) 2.674 ======================= Grid point 271 (118/132) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 7.340 8.049 -4.898) 11.944 2.087 ( 8.606 1.664 9.292) 12.774 2.181 ( 9.173 2.377 2.601) 9.826 2.433 ( 18.112 16.410 -3.409) 24.677 2.784 ( 1.569 -1.227 -8.024) 8.268 2.913 ( -6.994 -6.578 -5.158) 10.899 3.211 ( -0.985 -0.665 -1.814) 2.169 3.412 ( -8.104 -3.302 2.982) 9.245 3.615 ( 6.196 -5.306 5.395) 9.780 3.674 ( 0.048 -0.815 7.216) 7.262 3.798 ( 3.127 -1.308 1.208) 3.598 4.019 ( 8.126 -1.164 -0.784) 8.247 4.416 ( 2.117 0.240 0.985) 2.347 4.432 ( 0.713 12.046 -7.768) 14.352 4.650 ( -2.243 0.277 -0.920) 2.440 4.815 ( -2.899 12.189 1.107) 12.578 5.013 ( -4.647 -1.409 -3.584) 6.036 5.199 ( 1.060 6.303 4.220) 7.659 5.540 ( 6.015 4.790 2.422) 8.061 5.697 ( 5.051 1.707 2.722) 5.987 5.751 ( 8.407 -2.130 4.817) 9.920 5.909 ( 6.087 0.437 4.100) 7.352 6.243 ( -3.026 -5.725 -3.000) 7.137 6.339 ( -5.183 -0.378 -7.833) 9.400 6.571 ( 0.340 -5.956 -3.307) 6.821 6.755 ( 4.745 -2.927 -1.263) 5.716 6.965 ( -0.088 -0.779 -1.016) 1.283 7.061 ( -8.211 -8.389 1.042) 11.785 7.174 ( -2.152 -2.034 4.008) 4.983 7.229 ( -2.107 -1.237 3.630) 4.376 7.553 ( 1.457 -2.651 -0.556) 3.075 7.668 ( -2.195 1.809 0.897) 2.982 7.834 ( -4.562 3.517 -2.090) 6.128 7.998 ( -2.611 5.730 -9.116) 11.079 8.189 ( -7.060 -2.998 0.833) 7.716 8.375 ( 0.413 7.674 7.945) 11.054 8.588 ( 6.038 -2.828 1.688) 6.878 8.765 ( 0.521 -2.442 -0.204) 2.505 9.108 ( 1.294 3.441 1.816) 4.100 9.186 ( 1.993 5.780 -3.109) 6.859 9.316 ( 7.736 -3.200 -0.056) 8.372 9.610 ( -0.190 -1.963 -1.795) 2.667 10.112 ( 6.603 6.864 0.210) 9.527 10.527 ( 5.027 -1.337 -1.289) 5.359 10.956 ( -5.574 4.429 2.015) 7.399 11.130 ( -1.025 2.542 1.213) 2.997 11.472 ( -2.567 -0.354 -0.034) 2.591 11.527 ( -0.084 0.951 -0.416) 1.041 11.618 ( 1.605 -5.945 1.873) 6.436 12.015 ( 2.655 -4.817 -3.891) 6.737 12.464 ( -6.061 5.992 -3.981) 9.407 12.578 ( -5.783 8.488 2.978) 10.694 13.790 ( 0.098 -4.981 -6.188) 7.944 14.006 ( -5.841 0.575 2.900) 6.547 14.105 ( -11.482 -5.077 2.434) 12.788 14.167 ( -6.827 -0.161 3.945) 7.887 15.361 ( -2.977 0.127 -9.095) 9.570 15.641 ( -7.115 0.095 9.972) 12.251 15.803 ( -4.622 -6.616 -11.159) 13.772 15.959 ( -14.437 -8.245 8.260) 18.565 17.291 ( 4.313 -0.005 -4.530) 6.255 17.626 ( -7.238 -10.611 3.373) 13.280 18.808 ( 0.681 6.041 -1.573) 6.280 19.278 ( -7.661 0.925 4.876) 9.128 19.662 ( 8.735 -5.730 0.478) 10.458 19.760 ( 4.317 -5.450 0.909) 7.011 20.606 ( 17.145 -2.310 -6.816) 18.594 21.289 ( 3.415 -6.678 8.377) 11.244 21.453 ( -4.394 0.153 -2.980) 5.312 21.737 ( -13.016 -5.672 -0.783) 14.220 22.395 ( 0.411 1.635 -3.267) 3.677 22.656 ( -3.752 -3.318 2.226) 5.481 ======================= Grid point 272 (119/132) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 9.898 3.399 -3.786) 11.129 2.294 ( 4.226 -3.678 5.885) 8.125 2.343 ( 6.541 -0.643 3.488) 7.440 2.676 ( -8.833 -5.400 -3.303) 10.866 2.758 ( 15.046 12.357 -3.271) 19.742 2.847 ( 4.933 3.015 -5.263) 7.818 3.168 ( -2.672 3.878 -4.422) 6.460 3.244 ( -10.573 -1.424 5.383) 11.949 3.613 ( -0.797 -1.903 2.022) 2.889 3.774 ( -2.706 -0.719 -2.479) 3.739 3.870 ( 6.116 -7.850 9.310) 13.627 4.105 ( 0.844 -5.458 -3.773) 6.688 4.438 ( 3.861 5.514 -6.516) 9.369 4.508 ( 4.808 -0.397 -0.310) 4.834 4.619 ( -0.632 1.220 7.038) 7.171 4.841 ( 0.968 6.876 1.189) 7.045 4.941 ( 1.120 10.129 -1.526) 10.305 5.198 ( -2.995 12.792 0.918) 13.170 5.646 ( 4.402 1.354 3.329) 5.683 5.798 ( 4.267 2.579 5.609) 7.504 5.943 ( 4.418 -3.386 -4.867) 7.394 5.989 ( 1.824 0.265 2.124) 2.812 6.091 ( -7.260 -3.127 0.297) 7.910 6.256 ( -0.583 -0.419 -6.796) 6.834 6.613 ( 4.282 -4.135 -1.331) 6.099 6.801 ( -0.076 -2.871 -3.007) 4.158 6.872 ( -4.771 -7.429 -2.159) 9.089 6.913 ( -7.089 -3.213 1.296) 7.890 7.183 ( 5.409 0.368 1.634) 5.663 7.314 ( 2.825 -4.270 7.616) 9.177 7.591 ( 2.362 -1.885 -0.332) 3.040 7.625 ( -2.468 -2.493 0.646) 3.566 7.732 ( -4.423 -0.026 -0.883) 4.511 7.811 ( -11.069 -4.769 -5.330) 13.179 8.137 ( 2.468 8.138 -2.679) 8.917 8.336 ( -6.499 8.089 4.682) 11.384 8.742 ( 8.142 -0.746 -1.255) 8.272 8.833 ( 2.826 1.104 4.952) 5.807 9.121 ( -0.402 4.458 2.281) 5.024 9.187 ( 0.193 5.524 -4.729) 7.275 9.455 ( 5.903 -1.885 -0.678) 6.234 9.590 ( -1.179 -2.951 -1.280) 3.426 10.259 ( 7.843 5.806 1.353) 9.852 10.551 ( -2.007 2.689 -2.945) 4.465 10.892 ( -0.879 2.223 2.823) 3.700 11.067 ( -5.129 1.299 -0.601) 5.325 11.461 ( 0.119 -0.512 3.656) 3.694 11.514 ( -0.840 -3.208 -0.630) 3.375 11.697 ( 4.913 -6.412 3.542) 8.820 11.995 ( -2.893 -9.424 -7.214) 12.215 12.375 ( 0.516 7.984 -4.375) 9.119 12.491 ( -5.106 7.952 4.073) 10.291 13.772 ( 0.962 -4.777 -5.991) 7.722 13.881 ( -7.844 -2.919 5.454) 9.990 13.963 ( -1.281 -8.396 -7.119) 11.082 14.051 ( -8.190 -4.918 10.059) 13.872 15.320 ( 4.182 -1.103 -10.432) 11.292 15.542 ( -10.547 -3.128 13.380) 17.322 15.682 ( 1.060 -6.757 -12.647) 14.378 15.784 ( -8.379 -6.236 7.992) 13.152 17.342 ( 3.510 -0.535 -3.435) 4.940 17.504 ( -6.430 -5.898 2.594) 9.103 18.864 ( 5.861 5.946 -3.184) 8.936 19.139 ( -8.837 2.598 4.842) 10.406 19.787 ( 3.856 -4.032 0.441) 5.596 19.819 ( 1.653 -4.849 0.127) 5.124 20.890 ( 14.057 -3.969 -3.792) 15.091 21.314 ( -6.234 -3.133 6.462) 9.510 21.410 ( 0.821 -4.219 -1.233) 4.471 21.500 ( -8.131 -4.682 -2.114) 9.618 22.412 ( 3.228 -0.967 -3.792) 5.073 22.574 ( -5.629 -3.674 3.088) 7.397 ======================= Grid point 273 (120/132) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -7.730 -2.612 1.679) 8.331 2.241 ( 7.730 -2.612 -1.679) 8.331 2.505 ( -6.597 -1.834 -4.027) 7.944 2.505 ( 6.597 -1.834 4.027) 7.944 2.941 ( 3.435 4.935 -12.937) 14.266 2.941 ( -3.435 4.935 12.937) 14.266 3.093 ( 0.850 4.698 -7.034) 8.501 3.093 ( -0.850 4.698 7.034) 8.501 3.667 ( -2.575 -1.899 -6.511) 7.255 3.667 ( 2.575 -1.899 6.511) 7.255 4.027 ( -4.279 -7.560 -7.025) 11.172 4.027 ( 4.279 -7.560 7.025) 11.172 4.499 ( 4.328 2.193 -3.834) 6.184 4.499 ( -4.328 2.193 3.834) 6.184 4.748 ( -7.042 -0.665 -3.429) 7.861 4.748 ( 7.042 -0.665 3.429) 7.861 5.077 ( -8.266 18.421 -1.584) 20.253 5.077 ( 8.266 18.421 1.584) 20.253 5.793 ( -6.913 -3.064 -9.050) 11.793 5.793 ( 6.913 -3.064 9.050) 11.793 5.934 ( -4.161 0.372 -7.062) 8.205 5.934 ( 4.161 0.372 7.062) 8.205 6.166 ( -5.295 0.659 -6.597) 8.485 6.166 ( 5.295 0.659 6.597) 8.485 6.711 ( -3.173 -1.038 -1.912) 3.847 6.711 ( 3.173 -1.038 1.912) 3.847 6.838 ( -0.914 -7.935 -1.524) 8.131 6.838 ( 0.914 -7.935 1.524) 8.131 7.333 ( 5.453 -0.933 -2.066) 5.906 7.333 ( -5.453 -0.933 2.066) 5.906 7.606 ( -1.416 -4.567 -5.713) 7.449 7.606 ( 1.416 -4.567 5.713) 7.449 7.659 ( 1.130 -4.038 -7.236) 8.363 7.659 ( -1.130 -4.038 7.236) 8.363 8.219 ( 3.072 9.772 -6.171) 11.959 8.219 ( -3.072 9.772 6.171) 11.959 8.855 ( 3.206 0.838 -3.766) 5.016 8.855 ( -3.206 0.838 3.766) 5.016 9.146 ( -0.288 5.691 -5.850) 8.166 9.146 ( 0.288 5.691 5.850) 8.166 9.543 ( -0.598 -2.555 -3.032) 4.010 9.543 ( 0.598 -2.555 3.032) 4.010 10.429 ( -6.288 4.782 -3.915) 8.817 10.429 ( 6.288 4.782 3.915) 8.817 10.954 ( -2.839 1.044 -3.978) 4.998 10.954 ( 2.839 1.044 3.978) 4.998 11.489 ( 0.754 -2.234 -4.524) 5.101 11.489 ( -0.754 -2.234 4.524) 5.101 11.846 ( -6.703 -8.969 -6.835) 13.118 11.846 ( 6.703 -8.969 6.835) 13.118 12.415 ( 3.992 7.648 -10.711) 13.753 12.415 ( -3.992 7.648 10.711) 13.753 13.785 ( 2.429 -4.470 -6.181) 8.005 13.785 ( -2.429 -4.470 6.181) 8.005 13.966 ( 5.747 -8.133 -12.420) 15.919 13.966 ( -5.747 -8.133 12.420) 15.919 15.400 ( 9.168 -3.071 -10.812) 14.504 15.400 ( -9.168 -3.071 10.812) 14.504 15.695 ( 4.527 -5.885 -9.549) 12.095 15.695 ( -4.527 -5.885 9.549) 12.095 17.406 ( 4.772 -2.362 -2.760) 5.997 17.406 ( -4.772 -2.362 2.760) 5.997 18.989 ( 4.309 4.519 -12.265) 13.763 18.989 ( -4.309 4.519 12.265) 13.763 19.830 ( 1.072 -4.040 -4.125) 5.872 19.830 ( -1.072 -4.040 4.125) 5.872 21.132 ( -7.317 -4.698 0.840) 8.736 21.132 ( 7.317 -4.698 -0.840) 8.736 21.425 ( 0.385 -3.459 -3.851) 5.190 21.425 ( -0.384 -3.459 3.851) 5.190 22.479 ( 3.321 -2.984 -6.342) 7.756 22.479 ( -3.321 -2.984 6.342) 7.756 ======================= Grid point 279 (121/132) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.973 10.993 -3.151) 11.604 1.620 ( 1.973 10.993 3.151) 11.604 2.447 ( -2.201 11.392 -1.392) 11.686 2.447 ( 2.201 11.392 1.392) 11.686 2.840 ( -2.010 -4.774 -14.592) 15.484 2.840 ( 2.010 -4.774 14.592) 15.484 3.334 ( -0.652 -1.289 -8.652) 8.771 3.334 ( 0.652 -1.289 8.652) 8.771 3.379 ( 9.347 -0.323 -5.978) 11.100 3.379 ( -9.347 -0.323 5.978) 11.100 3.631 ( -3.158 -4.254 -4.023) 6.652 3.631 ( 3.158 -4.254 4.023) 6.652 4.626 ( -2.611 -5.243 -1.397) 6.021 4.626 ( 2.611 -5.243 1.397) 6.021 5.101 ( -1.813 23.849 -9.524) 25.744 5.101 ( 1.813 23.849 9.524) 25.744 5.119 ( -2.746 1.887 -1.740) 3.760 5.119 ( 2.746 1.887 1.740) 3.760 5.248 ( -0.907 -0.821 -1.467) 1.910 5.248 ( 0.907 -0.821 1.467) 1.910 5.721 ( -3.319 2.391 -3.159) 5.168 5.721 ( 3.319 2.391 3.159) 5.168 6.222 ( 0.378 -16.657 -2.412) 16.835 6.222 ( -0.378 -16.657 2.412) 16.835 6.561 ( 0.546 -3.402 -7.908) 8.627 6.561 ( -0.546 -3.402 7.908) 8.627 6.976 ( -1.924 5.929 -5.553) 8.348 6.976 ( 1.924 5.929 5.553) 8.348 7.316 ( -4.444 -5.144 -2.065) 7.105 7.316 ( 4.444 -5.144 2.065) 7.105 7.640 ( -0.645 -1.479 -0.989) 1.893 7.640 ( 0.645 -1.479 0.989) 1.893 7.971 ( -1.363 0.232 -3.382) 3.653 7.971 ( 1.363 0.232 3.382) 3.653 8.375 ( 0.321 0.320 -1.972) 2.023 8.375 ( -0.321 0.320 1.972) 2.023 8.773 ( -3.172 2.673 -5.895) 7.208 8.773 ( 3.172 2.673 5.895) 7.208 8.963 ( -1.167 1.649 -5.369) 5.737 8.963 ( 1.167 1.649 5.369) 5.737 9.375 ( -6.270 -4.666 -1.267) 7.918 9.375 ( 6.270 -4.666 1.267) 7.918 10.091 ( -1.161 4.594 -0.177) 4.742 10.091 ( 1.161 4.594 0.177) 4.742 11.213 ( -0.221 7.230 -4.701) 8.626 11.213 ( 0.221 7.230 4.701) 8.626 11.493 ( -0.263 -2.825 -6.550) 7.138 11.493 ( 0.263 -2.825 6.550) 7.138 11.802 ( 3.455 -1.206 -1.756) 4.058 11.802 ( -3.455 -1.206 1.756) 4.058 12.893 ( 0.292 3.648 -1.629) 4.006 12.893 ( -0.292 3.648 1.629) 4.006 14.150 ( 1.262 4.722 -5.715) 7.521 14.150 ( -1.262 4.722 5.715) 7.521 14.515 ( 0.991 -2.029 -6.581) 6.957 14.515 ( -0.991 -2.029 6.581) 6.957 16.033 ( 0.286 8.915 -6.973) 11.322 16.033 ( -0.286 8.915 6.973) 11.322 16.355 ( 12.461 -5.999 -18.684) 23.245 16.355 ( -12.461 -5.999 18.684) 23.245 17.270 ( -0.807 -4.076 -3.570) 5.478 17.270 ( 0.807 -4.076 3.570) 5.478 18.878 ( -3.120 -0.355 -2.707) 4.146 18.878 ( 3.120 -0.355 2.707) 4.146 19.423 ( -0.118 -0.983 -2.778) 2.949 19.423 ( 0.118 -0.983 2.778) 2.949 20.376 ( -5.190 -4.765 -9.190) 11.580 20.376 ( 5.190 -4.765 9.190) 11.580 22.036 ( -4.194 -0.155 0.788) 4.270 22.036 ( 4.194 -0.155 -0.788) 4.270 22.586 ( -1.763 0.736 -0.499) 1.974 22.586 ( 1.763 0.736 0.499) 1.974 ======================= Grid point 281 (122/132) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 4.434 8.347 2.618) 9.807 1.779 ( 9.689 7.911 5.303) 13.586 2.363 ( -1.317 15.656 -3.912) 16.191 2.483 ( -0.147 10.465 -6.068) 12.098 2.751 ( 0.659 -4.729 -11.221) 12.194 2.976 ( 2.896 -4.326 16.666) 17.460 3.129 ( -7.919 -1.193 -7.620) 11.054 3.302 ( -3.164 -3.372 7.197) 8.554 3.401 ( 0.698 -6.967 0.550) 7.023 3.509 ( 0.253 -6.328 -2.046) 6.655 3.656 ( 9.676 3.091 4.283) 11.024 3.743 ( 5.431 0.277 -0.929) 5.517 4.518 ( -5.094 -0.980 -1.043) 5.291 4.684 ( 1.338 -6.942 -2.769) 7.593 4.970 ( -4.850 14.056 -8.305) 17.032 5.069 ( -1.298 9.695 3.097) 10.260 5.177 ( 1.462 5.579 -2.735) 6.383 5.213 ( 0.128 6.800 6.539) 9.434 5.308 ( 7.999 8.475 4.742) 12.582 5.325 ( 6.402 2.526 0.997) 6.954 5.644 ( -1.074 4.395 -3.418) 5.671 5.764 ( 0.354 -0.601 -0.645) 0.950 6.160 ( -2.692 -14.735 2.392) 15.169 6.284 ( 2.907 -15.305 -2.566) 15.789 6.550 ( 0.477 -3.966 -1.554) 4.287 6.602 ( 0.593 -4.827 4.804) 6.835 6.901 ( -1.490 7.265 1.373) 7.542 7.068 ( 0.815 5.412 3.072) 6.276 7.185 ( -4.703 -6.961 -1.071) 8.469 7.375 ( -0.919 -5.803 -1.448) 6.051 7.592 ( -1.617 1.639 -0.477) 2.351 7.678 ( 2.138 -2.260 -0.680) 3.184 7.992 ( 4.029 3.171 -0.812) 5.192 8.073 ( 6.302 -0.570 2.795) 6.918 8.281 ( -6.289 1.697 0.236) 6.518 8.381 ( -1.637 -2.369 -0.819) 2.993 8.637 ( -5.386 4.414 -6.758) 9.704 8.793 ( -1.365 -2.529 -5.973) 6.629 8.989 ( 3.672 1.540 4.633) 6.109 9.039 ( 2.394 2.285 6.221) 7.046 9.273 ( -2.231 1.324 -1.847) 3.185 9.495 ( 4.614 -6.656 0.297) 8.104 10.090 ( 1.583 5.947 0.007) 6.154 10.169 ( 6.139 0.971 -0.894) 6.279 11.192 ( 0.613 7.010 -4.069) 8.129 11.241 ( -0.390 7.181 4.029) 8.243 11.439 ( -0.752 -3.430 -7.045) 7.872 11.519 ( -0.853 -3.414 3.808) 5.185 11.738 ( -3.837 1.944 2.795) 5.130 11.870 ( 3.400 -3.509 -0.451) 4.907 12.844 ( -3.984 4.283 -0.752) 5.898 12.874 ( -2.491 3.430 0.273) 4.248 14.046 ( -7.669 5.422 1.029) 9.448 14.179 ( -0.737 3.007 0.889) 3.221 14.408 ( -7.081 -0.961 -1.452) 7.292 14.496 ( -4.587 -2.570 -0.237) 5.263 15.856 ( -12.614 9.220 -1.929) 15.743 15.979 ( -8.746 4.178 4.300) 10.604 16.139 ( -13.177 -1.254 6.652) 14.814 16.336 ( -7.972 -11.724 -11.885) 18.500 17.145 ( 1.262 4.742 2.036) 5.313 17.471 ( 5.073 -11.831 0.107) 12.873 18.886 ( 4.654 2.666 2.846) 6.072 19.037 ( 7.922 -4.312 2.254) 9.297 19.419 ( 1.972 -0.282 -0.241) 2.007 19.434 ( 0.814 -1.261 -2.271) 2.722 20.299 ( 3.092 2.827 -7.224) 8.351 20.603 ( 11.590 -11.085 6.537) 17.319 21.893 ( -9.698 3.459 0.939) 10.339 22.035 ( -4.284 -3.757 -0.453) 5.716 22.539 ( -1.994 2.935 -0.564) 3.592 22.628 ( 1.466 -1.569 -0.118) 2.150 ======================= Grid point 282 (123/132) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 9.586 4.588 4.960) 11.728 1.990 ( 7.783 0.332 4.248) 8.873 2.321 ( -3.625 14.546 -8.793) 17.379 2.487 ( 9.001 14.115 -2.477) 16.923 2.744 ( 2.887 -2.137 -8.009) 8.778 2.954 ( -5.329 -2.881 -6.610) 8.967 3.118 ( 2.368 -6.540 10.841) 12.881 3.296 ( 0.131 -8.858 2.114) 9.108 3.408 ( 0.792 -2.370 5.259) 5.822 3.543 ( 0.280 -7.932 8.778) 11.834 3.809 ( 3.921 5.179 -2.435) 6.937 3.874 ( 8.528 1.345 -1.693) 8.798 4.434 ( -2.705 2.126 0.090) 3.442 4.662 ( -1.637 -5.174 -1.553) 5.645 4.805 ( -6.659 10.217 -9.068) 15.198 5.012 ( -5.523 -1.689 -1.936) 6.091 5.186 ( 1.157 12.519 -1.949) 12.723 5.275 ( 4.157 10.385 2.989) 11.579 5.487 ( 8.596 0.508 2.903) 9.088 5.518 ( 8.711 10.376 7.247) 15.364 5.665 ( 3.320 3.321 -0.485) 4.721 5.781 ( 2.599 -1.860 1.857) 3.696 6.134 ( -1.841 -12.158 3.391) 12.755 6.313 ( 2.781 -12.455 -6.192) 14.185 6.513 ( -3.958 -3.239 -1.925) 5.464 6.639 ( 2.905 -4.403 -4.111) 6.688 6.929 ( 0.826 4.039 7.328) 8.408 7.006 ( -5.391 -1.506 1.327) 5.753 7.155 ( -1.410 -2.850 3.693) 4.873 7.294 ( -4.990 -4.954 -2.454) 7.448 7.563 ( -1.108 3.440 -0.434) 3.640 7.716 ( 0.793 -1.158 0.761) 1.596 8.021 ( -4.241 4.511 0.850) 6.249 8.154 ( -6.174 -1.106 -2.334) 6.692 8.221 ( 6.927 1.984 -1.358) 7.333 8.367 ( 3.679 -1.082 -0.871) 3.933 8.524 ( -2.810 3.564 -0.798) 4.608 8.718 ( -2.115 -4.572 -4.002) 6.433 9.110 ( 4.435 0.813 3.081) 5.461 9.112 ( 3.892 0.433 3.103) 4.997 9.269 ( 2.001 6.063 -1.227) 6.502 9.552 ( 1.488 -5.369 -0.968) 5.655 10.145 ( 3.770 6.102 0.092) 7.174 10.310 ( 8.158 -3.197 -1.201) 8.845 11.182 ( -2.189 7.785 0.861) 8.132 11.217 ( -2.110 5.289 -0.299) 5.702 11.406 ( 1.793 -4.669 -8.724) 10.056 11.496 ( -3.530 -6.304 3.208) 7.905 11.687 ( -2.625 6.069 3.403) 7.437 11.920 ( 1.286 -4.228 0.534) 4.452 12.733 ( -6.161 5.419 -1.971) 8.439 12.806 ( -4.506 3.596 1.025) 5.856 13.871 ( -8.753 3.906 -1.796) 9.752 14.120 ( -5.805 -1.601 0.039) 6.022 14.238 ( -10.414 -0.688 3.004) 10.860 14.348 ( -9.606 -1.161 0.927) 9.720 15.590 ( -11.001 5.910 -4.937) 13.429 15.797 ( -9.589 0.820 1.113) 9.688 15.905 ( -12.645 -2.167 1.093) 12.876 16.048 ( -14.865 -9.813 0.808) 17.830 17.235 ( 5.450 3.231 -2.339) 6.754 17.494 ( -1.753 -10.113 1.727) 10.408 18.947 ( -0.158 5.790 1.753) 6.051 19.237 ( 8.566 -8.414 1.904) 12.157 19.412 ( 1.105 1.587 0.710) 2.061 19.537 ( 7.140 -4.222 -1.617) 8.451 20.416 ( 11.242 7.161 -4.719) 14.140 20.866 ( 10.989 -13.501 4.993) 18.109 21.690 ( -10.432 4.757 0.273) 11.469 21.879 ( -10.520 -4.802 -0.391) 11.571 22.494 ( -2.183 3.630 -1.196) 4.401 22.632 ( -1.287 -3.191 0.270) 3.452 ======================= Grid point 283 (124/132) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 11.095 4.486 3.046) 12.350 2.134 ( 3.767 2.086 2.899) 5.191 2.220 ( 0.825 3.660 -4.655) 5.979 2.618 ( -1.511 -8.162 -4.329) 9.362 2.812 ( 10.844 13.170 -2.705) 17.273 2.889 ( 2.775 4.935 -6.936) 8.954 3.156 ( -0.341 -4.422 -0.056) 4.436 3.333 ( 1.530 -6.585 -1.448) 6.914 3.507 ( 3.184 -3.477 13.105) 13.928 3.577 ( -1.593 -6.593 9.850) 11.959 3.845 ( 0.404 4.010 -1.799) 4.414 3.982 ( 3.788 -2.530 -3.712) 5.876 4.422 ( 1.510 2.952 0.430) 3.343 4.596 ( -3.845 -1.244 -5.200) 6.586 4.674 ( -1.966 5.739 -0.972) 6.144 4.885 ( -4.994 -4.315 -1.206) 6.709 5.212 ( 2.283 16.923 0.379) 17.080 5.378 ( 4.919 12.077 0.048) 13.041 5.645 ( 3.264 -1.747 6.378) 7.375 5.727 ( 6.688 6.664 2.115) 9.676 5.734 ( 6.017 1.763 2.372) 6.704 5.900 ( 6.748 -1.512 3.616) 7.804 6.114 ( -1.871 -6.422 1.320) 6.818 6.341 ( 2.987 -5.546 -7.709) 9.955 6.397 ( -3.029 -5.084 -5.892) 8.351 6.647 ( -0.127 -8.988 -4.770) 10.176 6.902 ( -4.050 -0.756 -1.628) 4.430 6.969 ( -3.052 -2.296 5.841) 6.979 7.143 ( -1.405 -0.995 3.832) 4.201 7.201 ( -2.303 -2.076 2.163) 3.781 7.544 ( -0.781 2.504 0.751) 2.728 7.703 ( -2.511 0.091 1.010) 2.708 7.873 ( -9.449 0.783 1.742) 9.640 7.967 ( -11.075 -4.145 -2.695) 12.128 8.279 ( 3.175 7.321 -7.868) 11.206 8.500 ( -1.420 -1.243 0.855) 2.072 8.545 ( 11.154 4.299 1.037) 11.999 8.732 ( 4.421 -1.747 3.419) 5.856 9.163 ( 1.626 2.057 1.343) 2.946 9.233 ( 4.523 -1.934 -1.009) 5.022 9.322 ( 3.870 5.434 0.154) 6.673 9.554 ( -0.325 -4.057 -1.741) 4.427 10.240 ( 5.627 5.964 0.491) 8.214 10.463 ( 7.504 -4.544 -1.635) 8.924 11.073 ( -7.990 6.855 3.651) 11.143 11.199 ( -0.819 4.158 -2.154) 4.754 11.389 ( 0.385 -6.691 -8.083) 10.500 11.426 ( -4.134 -6.641 3.341) 8.507 11.672 ( -0.766 6.380 2.666) 6.957 11.917 ( -1.981 -5.218 0.320) 5.591 12.604 ( -4.641 7.222 -3.068) 9.116 12.717 ( -5.103 4.178 2.072) 6.913 13.725 ( -3.298 -0.550 -5.295) 6.263 13.947 ( -9.402 -8.319 -3.956) 13.162 14.041 ( -12.084 1.987 8.225) 14.752 14.153 ( -11.464 -1.897 4.976) 12.640 15.396 ( -4.407 3.460 -9.002) 10.603 15.645 ( -3.826 -5.413 -11.232) 13.042 15.664 ( -12.343 -0.947 8.743) 15.155 15.813 ( -11.512 -6.131 8.531) 15.585 17.306 ( 3.081 1.533 -2.492) 4.249 17.456 ( -2.621 -6.533 1.393) 7.176 18.956 ( 1.606 8.388 -1.279) 8.635 19.259 ( -4.210 -3.617 2.684) 6.166 19.556 ( 8.878 -3.213 0.934) 9.488 19.650 ( 4.736 -5.359 -0.572) 7.175 20.650 ( 13.035 6.065 -2.405) 14.577 21.071 ( 6.832 -12.803 4.425) 15.172 21.502 ( -8.006 3.395 -0.714) 8.725 21.645 ( -11.878 -3.850 -0.893) 12.518 22.443 ( -1.941 2.888 -1.661) 3.856 22.582 ( -3.812 -3.853 0.872) 5.490 ======================= Grid point 284 (125/132) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 3.139 4.864 -4.118) 7.104 2.248 ( 0.719 -0.707 3.867) 3.996 2.320 ( 7.293 -1.364 5.492) 9.231 2.524 ( -2.253 -8.889 -6.520) 11.252 2.952 ( 5.962 6.389 -2.705) 9.148 3.003 ( 8.331 11.771 -5.250) 15.347 3.148 ( -0.034 -2.829 -0.769) 2.932 3.301 ( -4.690 2.237 0.914) 5.276 3.547 ( -0.152 -3.382 3.178) 4.644 3.701 ( 5.479 -8.154 9.908) 13.952 3.784 ( -4.786 2.032 -1.124) 5.320 3.985 ( -1.722 -6.256 -4.155) 7.705 4.487 ( 3.184 1.436 0.140) 3.496 4.534 ( 0.691 0.972 -2.566) 2.830 4.660 ( -0.080 3.119 3.362) 4.587 4.816 ( -2.287 -3.617 -0.889) 4.370 5.299 ( 5.200 17.450 4.789) 18.827 5.467 ( 4.038 13.655 -2.029) 14.383 5.696 ( -0.064 0.897 -0.463) 1.011 5.758 ( 0.037 -3.838 5.123) 6.401 5.925 ( 3.656 2.597 1.054) 4.607 5.983 ( 0.798 -1.123 2.894) 3.205 6.090 ( 1.161 2.134 -4.144) 4.804 6.279 ( -0.903 2.480 -3.923) 4.728 6.467 ( 7.625 -10.239 -2.736) 13.057 6.603 ( -1.032 -13.351 -1.326) 13.457 6.808 ( -4.618 -0.300 -2.531) 5.275 6.858 ( -7.816 -2.845 -0.758) 8.352 7.185 ( 4.191 -0.078 2.297) 4.780 7.235 ( 2.561 -3.120 4.939) 6.378 7.533 ( -1.647 -0.920 0.651) 1.996 7.642 ( -3.289 0.767 1.365) 3.642 7.685 ( -11.235 -4.083 0.516) 11.966 7.739 ( -7.551 -1.308 -2.150) 7.960 8.316 ( 4.351 7.976 -5.559) 10.651 8.449 ( -3.480 2.353 1.234) 4.378 8.765 ( 9.634 3.281 -0.284) 10.181 8.862 ( 4.103 0.902 5.345) 6.798 9.193 ( 1.043 2.957 1.053) 3.308 9.265 ( 0.222 1.575 -2.468) 2.936 9.414 ( 4.486 -0.727 -0.217) 4.550 9.527 ( -1.434 -3.446 -1.340) 3.965 10.371 ( 6.868 5.503 1.301) 8.896 10.559 ( 2.249 -1.826 -2.812) 4.038 10.964 ( -3.633 4.944 4.172) 7.420 11.124 ( -5.271 3.797 -2.803) 7.075 11.349 ( -1.182 -10.144 1.266) 10.291 11.395 ( -0.284 -5.795 -1.719) 6.051 11.681 ( 1.109 2.699 0.153) 2.921 11.841 ( -5.406 -5.816 -0.188) 7.942 12.543 ( 0.507 8.116 -3.574) 8.883 12.633 ( -4.648 5.192 3.069) 7.614 13.683 ( 1.832 -3.415 -7.119) 8.106 13.782 ( -3.857 -7.610 -2.730) 8.958 13.853 ( -9.483 -0.581 3.748) 10.214 13.958 ( -11.586 -4.544 9.126) 15.433 15.323 ( 2.083 1.538 -9.849) 10.184 15.471 ( -7.850 -4.340 1.671) 9.124 15.584 ( -0.807 -2.279 -2.452) 3.444 15.667 ( -7.893 -5.119 8.366) 12.590 17.341 ( 1.988 0.461 -1.847) 2.752 17.411 ( -2.467 -3.419 1.132) 4.366 19.003 ( 4.179 7.403 -2.937) 8.994 19.174 ( -5.516 0.483 3.288) 6.440 19.696 ( 4.400 -4.228 0.967) 6.179 19.720 ( 2.610 -4.635 -0.418) 5.336 20.874 ( 10.530 2.439 -1.773) 10.953 21.161 ( -1.648 -9.979 5.090) 11.323 21.376 ( -3.249 0.544 -2.484) 4.126 21.442 ( -6.807 -2.153 -0.620) 7.167 22.412 ( 0.121 0.883 -1.967) 2.159 22.502 ( -4.564 -3.375 1.497) 5.870 ======================= Grid point 285 (126/132) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 4.871 -0.952 -2.982) 5.790 2.203 ( -4.871 -0.952 2.982) 5.790 2.454 ( -2.336 -2.623 -5.774) 6.759 2.454 ( 2.336 -2.623 5.774) 6.759 3.060 ( 4.505 6.307 -14.222) 16.197 3.060 ( -4.505 6.307 14.222) 16.197 3.175 ( -3.551 2.532 -1.127) 4.505 3.175 ( 3.551 2.532 1.127) 4.505 3.633 ( -2.889 -0.906 -6.618) 7.278 3.633 ( 2.889 -0.906 6.618) 7.278 3.877 ( -5.583 -6.882 -5.315) 10.333 3.877 ( 5.583 -6.882 5.315) 10.333 4.527 ( 2.306 0.812 -2.495) 3.493 4.527 ( -2.306 0.812 2.495) 3.493 4.739 ( -4.327 -0.353 -2.690) 5.107 4.739 ( 4.327 -0.353 2.690) 5.107 5.443 ( -4.771 16.400 -5.743) 18.020 5.443 ( 4.771 16.400 5.743) 18.020 5.728 ( 4.362 -2.197 -2.350) 5.420 5.728 ( -4.362 -2.197 2.350) 5.420 5.950 ( -2.641 0.418 -5.725) 6.318 5.950 ( 2.641 0.418 5.725) 6.318 6.198 ( -5.909 2.290 -4.624) 7.845 6.198 ( 5.909 2.290 4.624) 7.845 6.597 ( 4.056 -10.611 -2.644) 11.663 6.597 ( -4.056 -10.611 2.644) 11.663 6.732 ( 1.889 -1.549 -1.353) 2.793 6.732 ( -1.889 -1.549 1.353) 2.793 7.287 ( 2.076 -2.700 -1.063) 3.568 7.287 ( -2.076 -2.700 1.063) 3.568 7.501 ( -1.088 -3.746 -3.894) 5.512 7.501 ( 1.088 -3.746 3.894) 5.512 7.645 ( -1.536 0.406 -2.058) 2.600 7.645 ( 1.536 0.406 2.058) 2.600 8.382 ( 2.897 5.774 -3.376) 7.289 8.382 ( -2.897 5.774 3.376) 7.289 8.894 ( 3.335 2.656 -2.560) 4.973 8.894 ( -3.335 2.656 2.560) 4.973 9.231 ( -0.685 2.667 -3.931) 4.800 9.231 ( 0.685 2.667 3.931) 4.800 9.483 ( 0.363 -2.761 -3.912) 4.802 9.483 ( -0.363 -2.761 3.912) 4.802 10.507 ( -4.738 3.120 -2.599) 6.240 10.507 ( 4.738 3.120 2.599) 6.240 10.999 ( -2.797 3.163 -5.117) 6.635 10.999 ( 2.797 3.163 5.117) 6.635 11.368 ( 2.564 -8.926 -11.560) 14.828 11.368 ( -2.564 -8.926 11.560) 14.828 11.734 ( -4.403 -2.154 0.481) 4.925 11.734 ( 4.403 -2.154 -0.481) 4.925 12.569 ( 2.875 6.700 -6.357) 9.673 12.569 ( -2.875 6.700 6.357) 9.673 13.710 ( 4.893 -2.689 -8.242) 9.955 13.710 ( -4.893 -2.689 8.242) 9.955 13.813 ( 7.162 -6.488 -11.971) 15.385 13.813 ( -7.162 -6.488 11.971) 15.385 15.359 ( 5.974 -1.021 -7.687) 9.789 15.359 ( -5.974 -1.021 7.687) 9.789 15.590 ( 3.823 -4.192 -7.172) 9.145 15.590 ( -3.823 -4.192 7.172) 9.145 17.372 ( 2.101 -1.057 -1.356) 2.714 17.372 ( -2.101 -1.057 1.356) 2.714 19.083 ( 3.239 4.284 -7.566) 9.278 19.083 ( -3.238 4.284 7.566) 9.278 19.744 ( 1.049 -4.120 -4.095) 5.903 19.744 ( -1.049 -4.120 4.095) 5.903 21.055 ( -0.514 -2.739 -1.433) 3.134 21.055 ( 0.514 -2.739 1.433) 3.134 21.365 ( 1.332 -2.262 -2.114) 3.370 21.365 ( -1.332 -2.262 2.114) 3.370 22.433 ( 1.754 -1.624 -3.147) 3.952 22.433 ( -1.754 -1.624 3.147) 3.952 ======================= Grid point 291 (127/132) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 2.538 ( -0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.810 ( -0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( -0.000 0.000 0.000) 0.000 3.564 ( -0.000 0.000 -0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 -0.000) 0.000 4.571 ( -0.000 0.000 0.000) 0.000 5.134 ( -0.000 0.000 -0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.522 ( -0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.767 ( -0.000 0.000 -0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.882 ( -0.000 -0.000 -0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.535 ( -0.000 0.000 0.000) 0.000 7.079 ( -0.000 0.000 0.000) 0.000 7.079 ( -0.000 0.000 -0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.626 ( -0.000 0.000 0.000) 0.000 7.626 ( -0.000 0.000 0.000) 0.000 7.972 ( -0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.377 ( -0.000 0.000 -0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.982 ( -0.000 0.000 -0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 -0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.138 ( -0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 -0.000) 0.000 11.308 ( -0.000 0.000 0.000) 0.000 11.444 ( -0.000 0.000 0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 -0.000) 0.000 11.790 ( -0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 -0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 14.210 ( -0.000 0.000 0.000) 0.000 14.210 ( -0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 -0.000) 0.000 14.482 ( 0.000 0.000 -0.000) 0.000 16.208 ( 0.000 -0.000 -0.000) 0.000 16.208 ( -0.000 -0.000 0.000) 0.000 16.212 ( 0.000 0.000 -0.000) 0.000 16.212 ( -0.000 0.000 0.000) 0.000 17.229 ( 0.000 0.000 0.000) 0.000 17.229 ( 0.000 0.000 0.000) 0.000 18.876 ( -0.000 0.000 0.000) 0.000 18.876 ( -0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 -0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 20.326 ( -0.000 0.000 0.000) 0.000 20.326 ( 0.000 0.000 0.000) 0.000 22.034 ( 0.000 0.000 -0.000) 0.000 22.034 ( 0.000 0.000 0.000) 0.000 22.593 ( 0.000 0.000 -0.000) 0.000 22.593 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 295 (128/132) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 3.681 -5.664 2.057) 7.061 1.795 ( 3.681 5.664 2.057) 7.061 2.571 ( 3.377 -4.111 -1.221) 5.458 2.571 ( 3.377 4.111 -1.221) 5.458 2.792 ( -0.791 -10.974 -3.548) 11.561 2.792 ( -0.791 10.974 -3.548) 11.561 3.187 ( -6.120 -7.497 2.421) 9.976 3.187 ( -6.120 7.497 2.421) 9.976 3.389 ( -1.022 -4.939 2.099) 5.463 3.389 ( -1.022 4.939 2.099) 5.463 3.722 ( 9.380 -2.642 0.360) 9.752 3.722 ( 9.380 2.642 0.360) 9.752 4.557 ( -1.061 -4.664 -0.862) 4.860 4.557 ( -1.061 4.664 -0.862) 4.860 5.083 ( -3.511 -3.800 -3.991) 6.534 5.083 ( -3.511 3.800 -3.991) 6.534 5.260 ( 2.961 -1.675 3.427) 4.829 5.260 ( 2.961 1.675 3.427) 4.829 5.561 ( 4.235 -5.979 0.024) 7.327 5.561 ( 4.236 5.979 0.024) 7.327 5.710 ( -1.934 -5.777 -3.216) 6.889 5.710 ( -1.934 5.777 -3.216) 6.889 5.944 ( 2.763 -9.855 3.614) 10.854 5.944 ( 2.763 9.855 3.614) 10.854 6.541 ( 0.188 -1.718 1.429) 2.243 6.541 ( 0.188 1.718 1.429) 2.243 7.048 ( -2.609 -6.814 0.038) 7.296 7.048 ( -2.609 6.814 0.038) 7.296 7.216 ( -1.465 -8.762 0.756) 8.915 7.216 ( -1.465 8.762 0.756) 8.915 7.636 ( 1.193 -2.194 -0.772) 2.614 7.636 ( 1.193 2.194 -0.772) 2.614 8.044 ( 5.900 -2.080 1.848) 6.523 8.044 ( 5.900 2.080 1.848) 6.523 8.325 ( -4.417 -2.729 -1.277) 5.347 8.325 ( -4.417 2.729 -1.277) 5.347 8.727 ( -3.983 -3.956 -7.125) 9.070 8.727 ( -3.983 3.956 -7.125) 9.070 9.032 ( 2.496 -2.159 5.169) 6.133 9.032 ( 2.496 2.159 5.169) 6.133 9.360 ( 2.833 -6.302 0.164) 6.911 9.360 ( 2.833 6.302 0.164) 6.911 10.166 ( 2.903 -1.724 -0.549) 3.421 10.166 ( 2.903 1.724 -0.549) 3.421 11.307 ( 1.179 -3.349 -4.215) 5.511 11.307 ( 1.179 3.349 -4.215) 5.511 11.427 ( -2.878 -4.503 2.956) 6.107 11.427 ( -2.878 4.503 2.956) 6.107 11.796 ( 0.412 -3.571 1.009) 3.734 11.796 ( 0.412 3.571 1.009) 3.734 12.897 ( -2.962 -0.943 -0.396) 3.134 12.897 ( -2.962 0.943 -0.396) 3.134 14.161 ( -5.596 -4.764 1.213) 7.448 14.161 ( -5.596 4.764 1.213) 7.448 14.428 ( -4.860 -3.301 -1.032) 5.965 14.428 ( -4.860 3.301 -1.032) 5.965 16.025 ( -15.420 -3.326 5.637) 16.752 16.025 ( -15.420 3.326 5.637) 16.752 16.135 ( -7.597 -5.132 -6.503) 11.240 16.135 ( -7.597 5.132 -6.503) 11.240 17.273 ( 3.335 -8.085 0.150) 8.747 17.273 ( 3.335 8.085 0.150) 8.747 18.954 ( 6.119 -3.917 2.187) 7.587 18.954 ( 6.119 3.917 2.187) 7.587 19.418 ( 1.199 -0.346 -1.508) 1.958 19.418 ( 1.199 0.346 -1.508) 1.958 20.409 ( 7.682 -7.872 0.603) 11.016 20.409 ( 7.682 7.872 0.603) 11.016 21.963 ( -6.884 -3.534 0.162) 7.740 21.963 ( -6.884 3.534 0.162) 7.740 22.590 ( -0.391 -2.230 -0.367) 2.293 22.590 ( -0.391 2.230 -0.367) 2.293 ======================= Grid point 297 (129/132) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 7.435 -6.136 2.467) 9.951 1.916 ( 7.435 6.136 2.467) 9.951 2.559 ( -5.299 -8.454 -5.431) 11.359 2.559 ( -5.298 8.454 -5.431) 11.359 2.833 ( 8.964 -10.762 -1.895) 14.134 2.833 ( 8.964 10.762 -1.895) 14.134 3.109 ( -1.514 -7.465 -0.773) 7.657 3.109 ( -1.514 7.466 -0.773) 7.657 3.425 ( 0.105 -3.647 11.089) 11.674 3.425 ( 0.105 3.647 11.089) 11.674 3.875 ( 6.104 -1.520 -2.786) 6.880 3.875 ( 6.104 1.520 -2.786) 6.880 4.529 ( -1.180 -6.653 -0.142) 6.759 4.529 ( -1.180 6.653 -0.142) 6.759 4.939 ( -7.341 -4.766 -6.024) 10.626 4.939 ( -7.341 4.766 -6.024) 10.626 5.363 ( 5.162 -3.845 3.533) 7.343 5.363 ( 5.162 3.845 3.533) 7.343 5.647 ( 3.358 -10.719 -3.968) 11.913 5.647 ( 3.358 10.719 -3.968) 11.913 5.723 ( 3.965 -8.083 5.835) 10.729 5.723 ( 3.965 8.083 5.835) 10.729 6.011 ( 3.082 -11.215 1.009) 11.674 6.011 ( 3.082 11.215 1.009) 11.674 6.542 ( -0.554 -4.236 -2.818) 5.118 6.542 ( -0.554 4.236 -2.818) 5.118 6.992 ( -3.390 -1.627 2.036) 4.276 6.992 ( -3.390 1.627 2.036) 4.276 7.177 ( -2.607 -5.309 1.456) 6.091 7.177 ( -2.607 5.309 1.456) 6.091 7.653 ( -0.004 -4.616 0.855) 4.695 7.653 ( -0.004 4.616 0.855) 4.695 8.100 ( -6.311 -3.553 1.262) 7.351 8.100 ( -6.311 3.553 1.262) 7.351 8.294 ( 6.830 -4.654 -3.009) 8.796 8.294 ( 6.830 4.654 -3.009) 8.796 8.624 ( -1.988 -5.052 -4.023) 6.757 8.624 ( -1.988 5.052 -4.023) 6.757 9.116 ( 3.490 -0.644 3.205) 4.782 9.116 ( 3.490 0.644 3.205) 4.782 9.416 ( 2.466 -7.697 -0.419) 8.093 9.416 ( 2.466 7.697 -0.419) 8.093 10.243 ( 5.086 -3.863 -0.728) 6.428 10.243 ( 5.086 3.863 -0.728) 6.428 11.309 ( 1.446 -4.990 -6.159) 8.058 11.309 ( 1.446 4.990 -6.159) 8.058 11.353 ( -5.973 -7.606 3.704) 10.356 11.353 ( -5.973 7.606 3.704) 10.356 11.813 ( 0.025 -6.137 2.176) 6.511 11.813 ( 0.025 6.137 2.176) 6.511 12.815 ( -4.720 -2.331 -0.695) 5.310 12.815 ( -4.720 2.332 -0.695) 5.310 13.998 ( -10.226 -7.828 -1.314) 12.945 13.998 ( -10.226 7.828 -1.314) 12.945 14.292 ( -9.096 -3.858 2.630) 10.224 14.292 ( -9.096 3.858 2.630) 10.224 15.732 ( -12.752 -7.152 -5.381) 15.580 15.732 ( -12.752 7.152 -5.381) 15.580 15.911 ( -12.653 -3.548 4.192) 13.794 15.911 ( -12.653 3.548 4.192) 13.794 17.330 ( 2.219 -6.369 -0.464) 6.761 17.330 ( 2.219 6.369 -0.464) 6.761 19.080 ( 4.229 -7.313 1.736) 8.624 19.080 ( 4.229 7.313 1.736) 8.624 19.460 ( 4.129 -3.215 -1.108) 5.349 19.460 ( 4.129 3.215 -1.108) 5.349 20.608 ( 11.063 -11.654 1.112) 16.107 20.608 ( 11.063 11.654 1.112) 16.107 21.785 ( -10.420 -4.666 -0.143) 11.418 21.785 ( -10.420 4.666 -0.143) 11.418 22.565 ( -2.060 -3.459 -0.442) 4.050 22.565 ( -2.060 3.459 -0.442) 4.050 ======================= Grid point 299 (130/132) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 9.864 -2.930 3.473) 10.860 2.112 ( 9.864 2.930 3.473) 10.860 2.391 ( -6.185 -11.509 -6.364) 14.534 2.391 ( -6.185 11.510 -6.364) 14.534 3.013 ( 5.669 -5.072 -1.012) 7.674 3.013 ( 5.669 5.072 -1.012) 7.674 3.130 ( 6.643 -11.313 -5.488) 14.221 3.130 ( 6.643 11.313 -5.488) 14.221 3.490 ( -0.714 -1.589 14.431) 14.535 3.490 ( -0.714 1.589 14.431) 14.535 3.921 ( 0.488 -3.443 -4.060) 5.346 3.921 ( 0.488 3.443 -4.060) 5.346 4.514 ( -0.232 -5.341 -0.016) 5.347 4.514 ( -0.232 5.341 -0.016) 5.347 4.787 ( -4.385 -5.109 -3.131) 7.426 4.787 ( -4.385 5.109 -3.131) 7.426 5.468 ( 3.350 -8.636 3.443) 9.882 5.468 ( 3.350 8.636 3.443) 9.882 5.690 ( 2.637 -9.111 -0.706) 9.511 5.690 ( 2.637 9.111 -0.706) 9.511 5.863 ( 5.316 -2.051 6.058) 8.317 5.863 ( 5.316 2.051 6.058) 8.317 6.099 ( 6.651 -9.547 -2.386) 11.878 6.099 ( 6.651 9.547 -2.386) 11.878 6.469 ( -3.909 -7.176 -6.589) 10.497 6.469 ( -3.909 7.176 -6.589) 10.497 6.928 ( -4.362 -2.124 0.613) 4.890 6.928 ( -4.362 2.124 0.613) 4.890 7.153 ( -0.635 -2.030 3.442) 4.046 7.153 ( -0.635 2.030 3.442) 4.046 7.636 ( -2.555 -5.501 2.212) 6.457 7.636 ( -2.555 5.501 2.212) 6.457 7.905 ( -11.329 -2.476 -0.288) 11.600 7.905 ( -11.329 2.476 -0.288) 11.600 8.407 ( 4.365 -5.600 -6.156) 9.398 8.407 ( 4.365 5.600 -6.156) 9.398 8.666 ( 6.728 -5.042 3.284) 9.026 8.666 ( 6.728 5.042 3.284) 9.026 9.197 ( 3.335 -1.582 0.754) 3.767 9.197 ( 3.335 1.582 0.754) 3.767 9.447 ( 0.978 -6.314 -0.842) 6.444 9.447 ( 0.978 6.314 -0.842) 6.444 10.357 ( 6.596 -5.754 -0.571) 8.772 10.357 ( 6.596 5.754 -0.571) 8.772 11.218 ( -7.483 -6.837 2.315) 10.397 11.218 ( -7.483 6.837 2.315) 10.397 11.314 ( 0.432 -4.398 -4.873) 6.579 11.314 ( 0.432 4.398 -4.873) 6.579 11.802 ( -2.574 -6.262 2.360) 7.170 11.802 ( -2.574 6.262 2.360) 7.170 12.721 ( -3.919 -3.581 -0.685) 5.352 12.721 ( -3.919 3.581 -0.685) 5.352 13.788 ( -7.984 -6.478 -4.577) 11.254 13.788 ( -7.984 6.478 -4.577) 11.254 14.098 ( -12.906 -3.244 7.012) 15.042 14.098 ( -12.906 3.244 7.012) 15.042 15.498 ( -6.037 -6.608 -10.454) 13.762 15.498 ( -6.037 6.608 -10.454) 13.762 15.714 ( -10.469 -3.773 8.635) 14.086 15.714 ( -10.469 3.773 8.635) 14.086 17.356 ( 0.804 -3.606 -0.588) 3.741 17.356 ( 0.804 3.606 -0.588) 3.741 19.129 ( 0.816 -8.410 0.049) 8.450 19.129 ( 0.816 8.410 0.049) 8.450 19.561 ( 5.528 -3.047 0.281) 6.318 19.561 ( 5.528 3.047 0.281) 6.318 20.826 ( 9.470 -11.041 1.501) 14.623 20.826 ( 9.470 11.041 1.501) 14.623 21.572 ( -10.120 -3.536 -0.769) 10.748 21.572 ( -10.120 3.536 -0.769) 10.748 22.507 ( -3.282 -3.545 -0.332) 4.842 22.507 ( -3.282 3.545 -0.332) 4.842 ======================= Grid point 301 (131/132) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -2.209 -3.028 1.115) 3.911 2.224 ( -2.209 3.028 1.115) 3.911 2.357 ( 6.246 -6.433 -1.852) 9.156 2.357 ( 6.246 6.434 -1.852) 9.156 3.069 ( 3.446 -4.789 -1.020) 5.987 3.069 ( 3.446 4.789 -1.020) 5.987 3.225 ( 2.717 -8.941 -6.056) 11.135 3.225 ( 2.717 8.941 -6.056) 11.135 3.562 ( 1.953 -4.889 9.466) 10.831 3.562 ( 1.953 4.889 9.466) 10.831 3.864 ( -3.869 -5.510 -2.537) 7.195 3.864 ( -3.869 5.511 -2.537) 7.195 4.522 ( 0.801 -1.684 0.506) 1.933 4.522 ( 0.801 1.684 0.506) 1.933 4.735 ( -0.459 -4.110 -0.441) 4.159 4.735 ( -0.459 4.110 -0.441) 4.159 5.557 ( 3.434 -9.530 5.688) 11.617 5.557 ( 3.434 9.530 5.688) 11.617 5.721 ( 1.106 -8.221 -2.769) 8.745 5.721 ( 1.106 8.221 -2.769) 8.745 5.957 ( 0.964 -0.829 3.219) 3.461 5.957 ( 0.964 0.829 3.219) 3.461 6.223 ( 4.693 -10.705 -4.380) 12.483 6.223 ( 4.693 10.705 -4.380) 12.483 6.381 ( 0.769 -6.998 -1.419) 7.181 6.381 ( 0.769 6.998 -1.419) 7.181 6.816 ( -6.197 -1.179 -2.027) 6.626 6.816 ( -6.197 1.179 -2.027) 6.626 7.193 ( 2.820 -1.123 2.712) 4.071 7.193 ( 2.820 1.123 2.712) 4.071 7.568 ( -6.249 -3.916 1.796) 7.590 7.568 ( -6.249 3.916 1.796) 7.590 7.705 ( -6.649 -2.197 -0.426) 7.016 7.705 ( -6.649 2.197 -0.426) 7.016 8.432 ( 1.556 -3.537 -3.292) 5.077 8.432 ( 1.556 3.537 -3.292) 5.077 8.842 ( 7.173 -3.070 3.020) 8.367 8.842 ( 7.173 3.070 3.020) 8.367 9.246 ( 1.430 -2.387 -0.545) 2.836 9.246 ( 1.430 2.387 -0.545) 2.836 9.453 ( 0.236 -3.652 -0.643) 3.715 9.453 ( 0.236 3.652 -0.643) 3.715 10.482 ( 5.686 -5.298 -0.593) 7.795 10.482 ( 5.686 5.298 -0.593) 7.795 11.097 ( -5.656 -7.667 3.598) 10.184 11.097 ( -5.656 7.667 3.598) 10.184 11.278 ( -1.142 -4.751 -5.141) 7.092 11.278 ( -1.142 4.751 -5.141) 7.092 11.749 ( -3.151 -3.791 1.716) 5.220 11.749 ( -3.151 3.791 1.716) 5.220 12.661 ( -1.770 -2.696 -0.363) 3.245 12.661 ( -1.770 2.696 -0.363) 3.245 13.670 ( -0.380 -2.675 -6.552) 7.087 13.670 ( -0.380 2.675 -6.552) 7.087 13.879 ( -12.516 -2.902 8.370) 15.334 13.879 ( -12.516 2.902 8.370) 15.334 15.381 ( -1.029 -4.054 -8.203) 9.208 15.381 ( -1.029 4.054 -8.203) 9.208 15.590 ( -6.266 -2.407 6.858) 9.596 15.590 ( -6.266 2.407 6.858) 9.597 17.362 ( 0.166 -1.643 -0.372) 1.693 17.362 ( 0.166 1.643 -0.372) 1.693 19.134 ( 0.023 -4.804 -0.354) 4.817 19.134 ( 0.023 4.804 -0.354) 4.817 19.657 ( 3.548 -0.933 0.496) 3.702 19.657 ( 3.548 0.933 0.496) 3.702 20.978 ( 4.750 -7.590 1.416) 9.065 20.978 ( 4.750 7.590 1.416) 9.065 21.402 ( -5.866 -1.793 -1.069) 6.226 21.402 ( -5.866 1.793 -1.069) 6.226 22.444 ( -2.579 -2.315 -0.172) 3.470 22.444 ( -2.579 2.315 -0.172) 3.470 ======================= Grid point 303 (132/132) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 0.000 -0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 -0.000) 0.000 2.424 ( 0.000 0.000 -0.000) 0.000 3.161 ( 0.000 0.000 -0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.170 ( -0.000 0.000 -0.000) 0.000 3.170 ( -0.000 -0.000 0.000) 0.000 3.634 ( 0.000 0.000 -0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.792 ( -0.000 0.000 -0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 -0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 -0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 -0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 -0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.956 ( -0.000 0.000 -0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 -0.000) 0.000 6.231 ( 0.000 -0.000 0.000) 0.000 6.448 ( 0.000 -0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.718 ( -0.000 0.000 -0.000) 0.000 6.718 ( 0.000 0.000 -0.000) 0.000 7.256 ( 0.000 0.000 -0.000) 0.000 7.256 ( 0.000 0.000 -0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 -0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 8.439 ( 0.000 0.000 -0.000) 0.000 8.439 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 -0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 9.255 ( -0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 -0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 -0.000) 0.000 10.543 ( 0.000 0.000 -0.000) 0.000 11.050 ( -0.000 0.000 -0.000) 0.000 11.050 ( 0.000 0.000 -0.000) 0.000 11.243 ( 0.000 0.000 -0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 12.643 ( 0.000 0.000 -0.000) 0.000 12.643 ( 0.000 0.000 -0.000) 0.000 13.685 ( 0.000 0.000 -0.000) 0.000 13.685 ( -0.000 -0.000 0.000) 0.000 13.739 ( 0.000 0.000 -0.000) 0.000 13.739 ( -0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 -0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.545 ( 0.000 0.000 0.000) 0.000 15.545 ( -0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 -0.000) 0.000 17.362 ( 0.000 0.000 -0.000) 0.000 19.132 ( 0.000 0.000 -0.000) 0.000 19.132 ( 0.000 0.000 0.000) 0.000 19.695 ( 0.000 0.000 0.000) 0.000 19.695 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.342 ( 0.000 0.000 -0.000) 0.000 21.342 ( 0.000 0.000 -0.000) 0.000 22.416 ( 0.000 0.000 -0.000) 0.000 22.416 ( 0.000 0.000 0.000) 0.000 =================== 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 3/28800 10.0 392.278 454.139 486.550 0.000 -79.924 0.000 3/28800 20.0 165.320 153.116 164.961 0.000 -5.373 0.000 3/28800 30.0 87.794 75.455 95.499 0.000 -1.296 0.000 3/28800 40.0 55.115 46.423 64.184 0.000 -0.405 0.000 3/28800 50.0 38.229 32.225 46.137 0.000 -0.174 0.000 3/28800 60.0 28.410 24.114 34.854 0.000 -0.122 0.000 3/28800 70.0 22.203 18.995 27.417 0.000 -0.112 0.000 3/28800 80.0 18.023 15.530 22.291 0.000 -0.110 0.000 3/28800 90.0 15.065 13.058 18.618 0.000 -0.108 0.000 3/28800 100.0 12.888 11.223 15.897 0.000 -0.105 0.000 3/28800 110.0 11.233 9.817 13.823 0.000 -0.102 0.000 3/28800 120.0 9.941 8.711 12.202 0.000 -0.099 0.000 3/28800 130.0 8.909 7.821 10.908 0.000 -0.096 0.000 3/28800 140.0 8.069 7.092 9.855 0.000 -0.094 0.000 3/28800 150.0 7.374 6.486 8.985 0.000 -0.091 0.000 3/28800 160.0 6.790 5.975 8.255 0.000 -0.089 0.000 3/28800 170.0 6.294 5.538 7.635 0.000 -0.087 0.000 3/28800 180.0 5.867 5.161 7.103 0.000 -0.085 0.000 3/28800 190.0 5.496 4.833 6.642 0.000 -0.084 0.000 3/28800 200.0 5.171 4.544 6.238 0.000 -0.082 0.000 3/28800 210.0 4.884 4.289 5.882 0.000 -0.081 0.000 3/28800 220.0 4.628 4.062 5.565 0.000 -0.079 0.000 3/28800 230.0 4.399 3.858 5.282 0.000 -0.078 0.000 3/28800 240.0 4.193 3.674 5.028 0.000 -0.076 0.000 3/28800 250.0 4.006 3.507 4.797 0.000 -0.075 0.000 3/28800 260.0 3.835 3.355 4.588 0.000 -0.073 0.000 3/28800 270.0 3.679 3.216 4.396 0.000 -0.072 0.000 3/28800 280.0 3.536 3.089 4.221 0.000 -0.071 0.000 3/28800 290.0 3.404 2.972 4.060 0.000 -0.069 0.000 3/28800 300.0 3.282 2.863 3.911 0.000 -0.068 0.000 3/28800 310.0 3.169 2.762 3.772 0.000 -0.067 0.000 3/28800 320.0 3.064 2.669 3.644 0.000 -0.065 0.000 3/28800 330.0 2.966 2.581 3.524 0.000 -0.064 0.000 3/28800 340.0 2.874 2.500 3.413 0.000 -0.063 0.000 3/28800 350.0 2.787 2.423 3.308 0.000 -0.062 0.000 3/28800 360.0 2.706 2.351 3.210 0.000 -0.061 0.000 3/28800 370.0 2.630 2.284 3.117 0.000 -0.059 0.000 3/28800 380.0 2.558 2.220 3.030 0.000 -0.058 0.000 3/28800 390.0 2.490 2.160 2.948 0.000 -0.057 0.000 3/28800 400.0 2.425 2.103 2.870 0.000 -0.056 0.000 3/28800 410.0 2.364 2.049 2.796 0.000 -0.055 0.000 3/28800 420.0 2.306 1.998 2.727 0.000 -0.054 0.000 3/28800 430.0 2.251 1.949 2.660 0.000 -0.053 0.000 3/28800 440.0 2.198 1.903 2.597 0.000 -0.052 0.000 3/28800 450.0 2.148 1.859 2.537 0.000 -0.052 0.000 3/28800 460.0 2.100 1.817 2.479 0.000 -0.051 0.000 3/28800 470.0 2.055 1.777 2.425 0.000 -0.050 0.000 3/28800 480.0 2.011 1.738 2.372 0.000 -0.049 0.000 3/28800 490.0 1.969 1.702 2.322 0.000 -0.048 0.000 3/28800 500.0 1.929 1.666 2.274 0.000 -0.047 0.000 3/28800 510.0 1.890 1.633 2.228 0.000 -0.047 0.000 3/28800 520.0 1.853 1.600 2.184 0.000 -0.046 0.000 3/28800 530.0 1.818 1.569 2.142 0.000 -0.045 0.000 3/28800 540.0 1.784 1.539 2.101 0.000 -0.045 0.000 3/28800 550.0 1.751 1.511 2.062 0.000 -0.044 0.000 3/28800 560.0 1.719 1.483 2.024 0.000 -0.043 0.000 3/28800 570.0 1.688 1.456 1.987 0.000 -0.043 0.000 3/28800 580.0 1.659 1.430 1.952 0.000 -0.042 0.000 3/28800 590.0 1.631 1.406 1.918 0.000 -0.041 0.000 3/28800 600.0 1.603 1.382 1.886 0.000 -0.041 0.000 3/28800 610.0 1.576 1.359 1.854 0.000 -0.040 0.000 3/28800 620.0 1.551 1.336 1.824 0.000 -0.040 0.000 3/28800 630.0 1.526 1.314 1.794 0.000 -0.039 0.000 3/28800 640.0 1.502 1.294 1.766 0.000 -0.039 0.000 3/28800 650.0 1.479 1.273 1.738 0.000 -0.038 0.000 3/28800 660.0 1.456 1.254 1.711 0.000 -0.037 0.000 3/28800 670.0 1.434 1.235 1.685 0.000 -0.037 0.000 3/28800 680.0 1.413 1.216 1.660 0.000 -0.037 0.000 3/28800 690.0 1.392 1.198 1.636 0.000 -0.036 0.000 3/28800 700.0 1.372 1.181 1.612 0.000 -0.036 0.000 3/28800 710.0 1.353 1.164 1.589 0.000 -0.035 0.000 3/28800 720.0 1.334 1.147 1.566 0.000 -0.035 0.000 3/28800 730.0 1.315 1.132 1.545 0.000 -0.034 0.000 3/28800 740.0 1.297 1.116 1.523 0.000 -0.034 0.000 3/28800 750.0 1.280 1.101 1.503 0.000 -0.033 0.000 3/28800 760.0 1.263 1.086 1.483 0.000 -0.033 0.000 3/28800 770.0 1.247 1.072 1.463 0.000 -0.033 0.000 3/28800 780.0 1.230 1.058 1.444 0.000 -0.032 0.000 3/28800 790.0 1.215 1.044 1.426 0.000 -0.032 0.000 3/28800 800.0 1.200 1.031 1.408 0.000 -0.032 0.000 3/28800 810.0 1.185 1.018 1.390 0.000 -0.031 0.000 3/28800 820.0 1.170 1.006 1.373 0.000 -0.031 0.000 3/28800 830.0 1.156 0.994 1.356 0.000 -0.030 0.000 3/28800 840.0 1.142 0.982 1.340 0.000 -0.030 0.000 3/28800 850.0 1.129 0.970 1.324 0.000 -0.030 0.000 3/28800 860.0 1.116 0.959 1.309 0.000 -0.029 0.000 3/28800 870.0 1.103 0.947 1.293 0.000 -0.029 0.000 3/28800 880.0 1.090 0.937 1.279 0.000 -0.029 0.000 3/28800 890.0 1.078 0.926 1.264 0.000 -0.029 0.000 3/28800 900.0 1.066 0.916 1.250 0.000 -0.028 0.000 3/28800 910.0 1.054 0.905 1.236 0.000 -0.028 0.000 3/28800 920.0 1.043 0.895 1.223 0.000 -0.028 0.000 3/28800 930.0 1.031 0.886 1.209 0.000 -0.027 0.000 3/28800 940.0 1.020 0.876 1.196 0.000 -0.027 0.000 3/28800 950.0 1.009 0.867 1.184 0.000 -0.027 0.000 3/28800 960.0 0.999 0.858 1.171 0.000 -0.027 0.000 3/28800 970.0 0.989 0.849 1.159 0.000 -0.026 0.000 3/28800 980.0 0.978 0.840 1.147 0.000 -0.026 0.000 3/28800 990.0 0.969 0.832 1.135 0.000 -0.026 0.000 3/28800 1000.0 0.959 0.823 1.124 0.000 -0.026 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:40:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|