----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:42:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.335575250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.214507059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): *1 O 0.76885118852721 0.92312721994335 0.03666162038921 15.999 2 O 0.76885118852721 0.57687278005665 0.96333837961079 15.999 3 O 0.23114881147279 0.42312721994335 0.46333837961079 15.999 4 O 0.23114881147279 0.07687278005665 0.53666162038921 15.999 5 O 0.23114881147279 0.07687278005665 0.96333837961079 15.999 6 O 0.23114881147279 0.42312721994335 0.03666162038921 15.999 7 O 0.76885118852721 0.57687278005665 0.53666162038921 15.999 8 O 0.76885118852721 0.92312721994335 0.46333837961079 15.999 *9 O 0.54893596830121 0.23012062779240 0.11546291642648 15.999 10 O 0.54893596830121 0.23012062779240 0.38453708357352 15.999 11 O 0.45106403169879 0.73012062779241 0.38453708357352 15.999 12 O 0.45106403169879 0.76987937220759 0.61546291642648 15.999 13 O 0.45106403169879 0.76987937220759 0.88453708357352 15.999 14 O 0.45106403169879 0.73012062779241 0.11546291642648 15.999 15 O 0.54893596830121 0.26987937220760 0.61546291642648 15.999 16 O 0.54893596830121 0.26987937220760 0.88453708357352 15.999 *17 Si 0.61341059159608 0.75000000000000 0.00000000000000 28.085 18 Si 0.38658940840392 0.25000000000000 0.00000000000000 28.085 19 Si 0.38658940840392 0.25000000000000 0.50000000000000 28.085 20 Si 0.61341059159608 0.75000000000000 0.50000000000000 28.085 *21 Te 0.09997807611831 0.42658188591083 0.75000000000000 127.600 22 Te 0.09997807611831 0.07341811408917 0.25000000000000 127.600 23 Te 0.90002192388169 0.92658188591083 0.75000000000000 127.600 24 Te 0.90002192388169 0.57341811408917 0.25000000000000 127.600 *25 Pr 0.88871187103801 0.25000000000000 0.50000000000000 140.908 26 Pr 0.88871187103801 0.25000000000000 0.00000000000000 140.908 27 Pr 0.11128812896199 0.75000000000000 0.50000000000000 140.908 28 Pr 0.11128812896199 0.75000000000000 0.00000000000000 140.908 *29 Pr 0.38605565372254 0.03927583160601 0.75000000000000 140.908 30 Pr 0.38605565372254 0.46072416839399 0.25000000000000 140.908 31 Pr 0.61394434627746 0.53927583160601 0.75000000000000 140.908 32 Pr 0.61394434627746 0.96072416839399 0.25000000000000 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.335575250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.214507059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): *1 O 0.76885118852721 0.92312721994335 0.03666162038921 15.999 > 1 2 O 0.76885118852721 0.57687278005665 0.96333837961079 15.999 > 2 3 O 0.23114881147279 0.42312721994335 0.46333837961079 15.999 > 3 4 O 0.23114881147279 0.07687278005665 0.53666162038921 15.999 > 4 5 O 0.23114881147279 0.07687278005665 0.96333837961079 15.999 > 5 6 O 0.23114881147279 0.42312721994335 0.03666162038921 15.999 > 6 7 O 0.76885118852721 0.57687278005665 0.53666162038921 15.999 > 7 8 O 0.76885118852721 0.92312721994335 0.46333837961079 15.999 > 8 *9 O 0.54893596830121 0.23012062779240 0.11546291642648 15.999 > 9 10 O 0.54893596830121 0.23012062779240 0.38453708357352 15.999 > 10 11 O 0.45106403169879 0.73012062779241 0.38453708357352 15.999 > 11 12 O 0.45106403169879 0.76987937220759 0.61546291642648 15.999 > 12 13 O 0.45106403169879 0.76987937220759 0.88453708357352 15.999 > 13 14 O 0.45106403169879 0.73012062779241 0.11546291642648 15.999 > 14 15 O 0.54893596830121 0.26987937220760 0.61546291642648 15.999 > 15 16 O 0.54893596830121 0.26987937220760 0.88453708357352 15.999 > 16 *17 Si 0.61341059159608 0.75000000000000 0.00000000000000 28.085 > 17 18 Si 0.38658940840392 0.25000000000000 0.00000000000000 28.085 > 18 19 Si 0.38658940840392 0.25000000000000 0.50000000000000 28.085 > 19 20 Si 0.61341059159608 0.75000000000000 0.50000000000000 28.085 > 20 *21 Te 0.09997807611831 0.42658188591083 0.75000000000000 127.600 > 21 22 Te 0.09997807611831 0.07341811408917 0.25000000000000 127.600 > 22 23 Te 0.90002192388169 0.92658188591083 0.75000000000000 127.600 > 23 24 Te 0.90002192388169 0.57341811408917 0.25000000000000 127.600 > 24 *25 Pr 0.88871187103801 0.25000000000000 0.50000000000000 140.908 > 25 26 Pr 0.88871187103801 0.25000000000000 0.00000000000000 140.908 > 26 27 Pr 0.11128812896199 0.75000000000000 0.50000000000000 140.908 > 27 28 Pr 0.11128812896199 0.75000000000000 0.00000000000000 140.908 > 28 *29 Pr 0.38605565372254 0.03927583160601 0.75000000000000 140.908 > 29 30 Pr 0.38605565372254 0.46072416839399 0.25000000000000 140.908 > 30 31 Pr 0.61394434627746 0.53927583160601 0.75000000000000 140.908 > 31 32 Pr 0.61394434627746 0.96072416839399 0.25000000000000 140.908 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.671150500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.429014119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): *1 O 0.38442559426361 0.46156360997167 0.03666162038921 15.999 > 1 2 O 0.88442559426361 0.46156360997167 0.03666162038921 15.999 > 1 3 O 0.38442559426361 0.96156360997167 0.03666162038921 15.999 > 1 4 O 0.88442559426361 0.96156360997167 0.03666162038921 15.999 > 1 5 O 0.38442559426361 0.28843639002833 0.96333837961079 15.999 > 2 6 O 0.88442559426361 0.28843639002833 0.96333837961079 15.999 > 2 7 O 0.38442559426361 0.78843639002833 0.96333837961079 15.999 > 2 8 O 0.88442559426361 0.78843639002833 0.96333837961079 15.999 > 2 9 O 0.11557440573639 0.21156360997167 0.46333837961079 15.999 > 3 10 O 0.61557440573639 0.21156360997167 0.46333837961079 15.999 > 3 11 O 0.11557440573639 0.71156360997167 0.46333837961079 15.999 > 3 12 O 0.61557440573639 0.71156360997167 0.46333837961079 15.999 > 3 13 O 0.11557440573639 0.03843639002833 0.53666162038921 15.999 > 4 14 O 0.61557440573639 0.03843639002833 0.53666162038921 15.999 > 4 15 O 0.11557440573639 0.53843639002833 0.53666162038921 15.999 > 4 16 O 0.61557440573639 0.53843639002833 0.53666162038921 15.999 > 4 17 O 0.11557440573639 0.03843639002833 0.96333837961079 15.999 > 5 18 O 0.61557440573639 0.03843639002833 0.96333837961079 15.999 > 5 19 O 0.11557440573639 0.53843639002833 0.96333837961079 15.999 > 5 20 O 0.61557440573639 0.53843639002833 0.96333837961079 15.999 > 5 21 O 0.11557440573639 0.21156360997167 0.03666162038921 15.999 > 6 22 O 0.61557440573639 0.21156360997167 0.03666162038921 15.999 > 6 23 O 0.11557440573639 0.71156360997167 0.03666162038921 15.999 > 6 24 O 0.61557440573639 0.71156360997167 0.03666162038921 15.999 > 6 25 O 0.38442559426361 0.28843639002833 0.53666162038921 15.999 > 7 26 O 0.88442559426361 0.28843639002833 0.53666162038921 15.999 > 7 27 O 0.38442559426361 0.78843639002833 0.53666162038921 15.999 > 7 28 O 0.88442559426361 0.78843639002833 0.53666162038921 15.999 > 7 29 O 0.38442559426361 0.46156360997167 0.46333837961079 15.999 > 8 30 O 0.88442559426361 0.46156360997167 0.46333837961079 15.999 > 8 31 O 0.38442559426361 0.96156360997167 0.46333837961079 15.999 > 8 32 O 0.88442559426361 0.96156360997167 0.46333837961079 15.999 > 8 *33 O 0.27446798415060 0.11506031389620 0.11546291642648 15.999 > 9 34 O 0.77446798415060 0.11506031389620 0.11546291642648 15.999 > 9 35 O 0.27446798415060 0.61506031389620 0.11546291642648 15.999 > 9 36 O 0.77446798415060 0.61506031389620 0.11546291642648 15.999 > 9 37 O 0.27446798415060 0.11506031389620 0.38453708357352 15.999 > 10 38 O 0.77446798415060 0.11506031389620 0.38453708357352 15.999 > 10 39 O 0.27446798415060 0.61506031389620 0.38453708357352 15.999 > 10 40 O 0.77446798415060 0.61506031389620 0.38453708357352 15.999 > 10 41 O 0.22553201584940 0.36506031389620 0.38453708357352 15.999 > 11 42 O 0.72553201584940 0.36506031389620 0.38453708357352 15.999 > 11 43 O 0.22553201584940 0.86506031389620 0.38453708357352 15.999 > 11 44 O 0.72553201584940 0.86506031389620 0.38453708357352 15.999 > 11 45 O 0.22553201584940 0.38493968610380 0.61546291642648 15.999 > 12 46 O 0.72553201584940 0.38493968610380 0.61546291642648 15.999 > 12 47 O 0.22553201584940 0.88493968610380 0.61546291642648 15.999 > 12 48 O 0.72553201584940 0.88493968610380 0.61546291642648 15.999 > 12 49 O 0.22553201584940 0.38493968610380 0.88453708357352 15.999 > 13 50 O 0.72553201584940 0.38493968610380 0.88453708357352 15.999 > 13 51 O 0.22553201584940 0.88493968610380 0.88453708357352 15.999 > 13 52 O 0.72553201584940 0.88493968610380 0.88453708357352 15.999 > 13 53 O 0.22553201584940 0.36506031389620 0.11546291642648 15.999 > 14 54 O 0.72553201584940 0.36506031389620 0.11546291642648 15.999 > 14 55 O 0.22553201584940 0.86506031389620 0.11546291642648 15.999 > 14 56 O 0.72553201584940 0.86506031389620 0.11546291642648 15.999 > 14 57 O 0.27446798415060 0.13493968610380 0.61546291642648 15.999 > 15 58 O 0.77446798415060 0.13493968610380 0.61546291642648 15.999 > 15 59 O 0.27446798415060 0.63493968610380 0.61546291642648 15.999 > 15 60 O 0.77446798415060 0.63493968610380 0.61546291642648 15.999 > 15 61 O 0.27446798415060 0.13493968610380 0.88453708357352 15.999 > 16 62 O 0.77446798415060 0.13493968610380 0.88453708357352 15.999 > 16 63 O 0.27446798415060 0.63493968610380 0.88453708357352 15.999 > 16 64 O 0.77446798415060 0.63493968610380 0.88453708357352 15.999 > 16 *65 Si 0.30670529579804 0.37500000000000 0.00000000000000 28.085 > 17 66 Si 0.80670529579804 0.37500000000000 0.00000000000000 28.085 > 17 67 Si 0.30670529579804 0.87500000000000 0.00000000000000 28.085 > 17 68 Si 0.80670529579804 0.87500000000000 0.00000000000000 28.085 > 17 69 Si 0.19329470420196 0.12500000000000 0.00000000000000 28.085 > 18 70 Si 0.69329470420196 0.12500000000000 0.00000000000000 28.085 > 18 71 Si 0.19329470420196 0.62500000000000 0.00000000000000 28.085 > 18 72 Si 0.69329470420196 0.62500000000000 0.00000000000000 28.085 > 18 73 Si 0.19329470420196 0.12500000000000 0.50000000000000 28.085 > 19 74 Si 0.69329470420196 0.12500000000000 0.50000000000000 28.085 > 19 75 Si 0.19329470420196 0.62500000000000 0.50000000000000 28.085 > 19 76 Si 0.69329470420196 0.62500000000000 0.50000000000000 28.085 > 19 77 Si 0.30670529579804 0.37500000000000 0.50000000000000 28.085 > 20 78 Si 0.80670529579804 0.37500000000000 0.50000000000000 28.085 > 20 79 Si 0.30670529579804 0.87500000000000 0.50000000000000 28.085 > 20 80 Si 0.80670529579804 0.87500000000000 0.50000000000000 28.085 > 20 *81 Te 0.04998903805915 0.21329094295542 0.75000000000000 127.600 > 21 82 Te 0.54998903805915 0.21329094295542 0.75000000000000 127.600 > 21 83 Te 0.04998903805915 0.71329094295542 0.75000000000000 127.600 > 21 84 Te 0.54998903805915 0.71329094295542 0.75000000000000 127.600 > 21 85 Te 0.04998903805915 0.03670905704458 0.25000000000000 127.600 > 22 86 Te 0.54998903805915 0.03670905704458 0.25000000000000 127.600 > 22 87 Te 0.04998903805915 0.53670905704458 0.25000000000000 127.600 > 22 88 Te 0.54998903805915 0.53670905704458 0.25000000000000 127.600 > 22 89 Te 0.45001096194085 0.46329094295542 0.75000000000000 127.600 > 23 90 Te 0.95001096194085 0.46329094295542 0.75000000000000 127.600 > 23 91 Te 0.45001096194085 0.96329094295542 0.75000000000000 127.600 > 23 92 Te 0.95001096194085 0.96329094295542 0.75000000000000 127.600 > 23 93 Te 0.45001096194085 0.28670905704458 0.25000000000000 127.600 > 24 94 Te 0.95001096194085 0.28670905704458 0.25000000000000 127.600 > 24 95 Te 0.45001096194085 0.78670905704458 0.25000000000000 127.600 > 24 96 Te 0.95001096194085 0.78670905704458 0.25000000000000 127.600 > 24 *97 Pr 0.44435593551900 0.12500000000000 0.50000000000000 140.908 > 25 98 Pr 0.94435593551900 0.12500000000000 0.50000000000000 140.908 > 25 99 Pr 0.44435593551900 0.62500000000000 0.50000000000000 140.908 > 25 100 Pr 0.94435593551900 0.62500000000000 0.50000000000000 140.908 > 25 101 Pr 0.44435593551900 0.12500000000000 0.00000000000000 140.908 > 26 102 Pr 0.94435593551900 0.12500000000000 0.00000000000000 140.908 > 26 103 Pr 0.44435593551900 0.62500000000000 0.00000000000000 140.908 > 26 104 Pr 0.94435593551900 0.62500000000000 0.00000000000000 140.908 > 26 105 Pr 0.05564406448100 0.37500000000000 0.50000000000000 140.908 > 27 106 Pr 0.55564406448100 0.37500000000000 0.50000000000000 140.908 > 27 107 Pr 0.05564406448100 0.87500000000000 0.50000000000000 140.908 > 27 108 Pr 0.55564406448100 0.87500000000000 0.50000000000000 140.908 > 27 109 Pr 0.05564406448100 0.37500000000000 0.00000000000000 140.908 > 28 110 Pr 0.55564406448100 0.37500000000000 0.00000000000000 140.908 > 28 111 Pr 0.05564406448100 0.87500000000000 0.00000000000000 140.908 > 28 112 Pr 0.55564406448100 0.87500000000000 0.00000000000000 140.908 > 28 *113 Pr 0.19302782686127 0.01963791580301 0.75000000000000 140.908 > 29 114 Pr 0.69302782686127 0.01963791580301 0.75000000000000 140.908 > 29 115 Pr 0.19302782686127 0.51963791580301 0.75000000000000 140.908 > 29 116 Pr 0.69302782686127 0.51963791580301 0.75000000000000 140.908 > 29 117 Pr 0.19302782686127 0.23036208419699 0.25000000000000 140.908 > 30 118 Pr 0.69302782686127 0.23036208419699 0.25000000000000 140.908 > 30 119 Pr 0.19302782686127 0.73036208419699 0.25000000000000 140.908 > 30 120 Pr 0.69302782686127 0.73036208419699 0.25000000000000 140.908 > 30 121 Pr 0.30697217313873 0.26963791580301 0.75000000000000 140.908 > 31 122 Pr 0.80697217313873 0.26963791580301 0.75000000000000 140.908 > 31 123 Pr 0.30697217313873 0.76963791580301 0.75000000000000 140.908 > 31 124 Pr 0.80697217313873 0.76963791580301 0.75000000000000 140.908 > 31 125 Pr 0.30697217313873 0.48036208419699 0.25000000000000 140.908 > 32 126 Pr 0.80697217313873 0.48036208419699 0.25000000000000 140.908 > 32 127 Pr 0.30697217313873 0.98036208419699 0.25000000000000 140.908 > 32 128 Pr 0.80697217313873 0.98036208419699 0.25000000000000 140.908 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1691730 0.0000000 0.0000000 0.0000000 6.4343659 0.0000000 0.0000000 0.0000000 6.1802341 -------------------------- Born effective charges -------------------------- 1 O -2.1864472 -0.3185121 0.0777778 -0.3841297 -2.4922766 -0.1003484 0.0776793 -0.1318617 -2.5149880 2 O -2.1864472 0.3185121 -0.0777778 0.3841297 -2.4922766 -0.1003484 -0.0776793 -0.1318617 -2.5149880 3 O -2.1864472 0.3185121 0.0777778 0.3841297 -2.4922766 0.1003484 0.0776793 0.1318617 -2.5149880 4 O -2.1864472 -0.3185121 -0.0777778 -0.3841297 -2.4922766 0.1003484 -0.0776793 0.1318617 -2.5149880 5 O -2.1864472 -0.3185121 0.0777778 -0.3841297 -2.4922766 -0.1003484 0.0776793 -0.1318617 -2.5149880 6 O -2.1864472 0.3185121 -0.0777778 0.3841297 -2.4922766 -0.1003484 -0.0776793 -0.1318617 -2.5149880 7 O -2.1864472 0.3185121 0.0777778 0.3841297 -2.4922766 0.1003484 0.0776793 0.1318617 -2.5149880 8 O -2.1864472 -0.3185121 -0.0777778 -0.3841297 -2.4922766 0.1003484 -0.0776793 0.1318617 -2.5149880 9 O -2.8068382 0.2615902 -0.0349577 0.0774314 -1.9712380 0.2236362 0.0219132 0.0300650 -2.5608845 10 O -2.8068382 0.2615902 0.0349577 0.0774314 -1.9712380 -0.2236362 -0.0219132 -0.0300650 -2.5608845 11 O -2.8068382 -0.2615902 -0.0349577 -0.0774314 -1.9712380 -0.2236362 0.0219132 -0.0300650 -2.5608845 12 O -2.8068382 0.2615902 0.0349577 0.0774314 -1.9712380 -0.2236362 -0.0219132 -0.0300650 -2.5608845 13 O -2.8068382 0.2615902 -0.0349577 0.0774314 -1.9712380 0.2236362 0.0219132 0.0300650 -2.5608845 14 O -2.8068382 -0.2615902 0.0349577 -0.0774314 -1.9712380 0.2236362 -0.0219132 0.0300650 -2.5608845 15 O -2.8068382 -0.2615902 -0.0349577 -0.0774314 -1.9712380 -0.2236362 0.0219132 -0.0300650 -2.5608845 16 O -2.8068382 -0.2615902 0.0349577 -0.0774314 -1.9712380 0.2236362 -0.0219132 0.0300650 -2.5608845 17 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 -0.1613419 0.0000000 0.1042119 3.8176290 18 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 -0.1613419 0.0000000 0.1042119 3.8176290 19 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 0.1613419 0.0000000 -0.1042119 3.8176290 20 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 0.1613419 0.0000000 -0.1042119 3.8176290 21 Te -2.3575845 0.0793377 0.0000000 -0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 22 Te -2.3575845 -0.0793377 0.0000000 0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 23 Te -2.3575845 -0.0793377 0.0000000 0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 24 Te -2.3575845 0.0793377 0.0000000 -0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 25 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 -0.2051453 0.0000000 -0.1112990 4.6446803 26 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 0.2051453 0.0000000 0.1112990 4.6446803 27 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 -0.2051453 0.0000000 -0.1112990 4.6446803 28 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 0.2051453 0.0000000 0.1112990 4.6446803 29 Pr 4.5572571 -0.3622482 0.0000000 -0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 30 Pr 4.5572571 0.3622482 0.0000000 0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 31 Pr 4.5572571 0.3622482 0.0000000 0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 32 Pr 4.5572571 -0.3622482 0.0000000 -0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 480 - Time: 1.029 Solver_block: 200 / 480 - Time: 0.964 Solver_block: 300 / 480 - Time: 0.965 Solver_block: 400 / 480 - Time: 0.955 Solver_block: 480 / 480 - Time: 0.850 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.848 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:42:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:42:51]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.335575250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.214507059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): 1 O 0.76885118852721 0.92312721994335 0.03666162038921 15.999 2 O 0.76885118852721 0.57687278005665 0.96333837961079 15.999 3 O 0.23114881147279 0.42312721994335 0.46333837961079 15.999 4 O 0.23114881147279 0.07687278005665 0.53666162038921 15.999 5 O 0.23114881147279 0.07687278005665 0.96333837961079 15.999 6 O 0.23114881147279 0.42312721994335 0.03666162038921 15.999 7 O 0.76885118852721 0.57687278005665 0.53666162038921 15.999 8 O 0.76885118852721 0.92312721994335 0.46333837961079 15.999 9 O 0.54893596830121 0.23012062779240 0.11546291642648 15.999 10 O 0.54893596830121 0.23012062779240 0.38453708357352 15.999 11 O 0.45106403169879 0.73012062779241 0.38453708357352 15.999 12 O 0.45106403169879 0.76987937220759 0.61546291642648 15.999 13 O 0.45106403169879 0.76987937220759 0.88453708357352 15.999 14 O 0.45106403169879 0.73012062779241 0.11546291642648 15.999 15 O 0.54893596830121 0.26987937220760 0.61546291642648 15.999 16 O 0.54893596830121 0.26987937220760 0.88453708357352 15.999 17 Si 0.61341059159608 0.75000000000000 0.00000000000000 28.085 18 Si 0.38658940840392 0.25000000000000 0.00000000000000 28.085 19 Si 0.38658940840392 0.25000000000000 0.50000000000000 28.085 20 Si 0.61341059159608 0.75000000000000 0.50000000000000 28.085 21 Te 0.09997807611831 0.42658188591083 0.75000000000000 127.600 22 Te 0.09997807611831 0.07341811408917 0.25000000000000 127.600 23 Te 0.90002192388169 0.92658188591083 0.75000000000000 127.600 24 Te 0.90002192388169 0.57341811408917 0.25000000000000 127.600 25 Pr 0.88871187103801 0.25000000000000 0.50000000000000 140.908 26 Pr 0.88871187103801 0.25000000000000 0.00000000000000 140.908 27 Pr 0.11128812896199 0.75000000000000 0.50000000000000 140.908 28 Pr 0.11128812896199 0.75000000000000 0.00000000000000 140.908 29 Pr 0.38605565372254 0.03927583160601 0.75000000000000 140.908 30 Pr 0.38605565372254 0.46072416839399 0.25000000000000 140.908 31 Pr 0.61394434627746 0.53927583160601 0.75000000000000 140.908 32 Pr 0.61394434627746 0.96072416839399 0.25000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.671150500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.429014119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): 1 O 0.38442559426361 0.46156360997167 0.03666162038921 15.999 > 1 2 O 0.88442559426361 0.46156360997167 0.03666162038921 15.999 > 1 3 O 0.38442559426361 0.96156360997167 0.03666162038921 15.999 > 1 4 O 0.88442559426361 0.96156360997167 0.03666162038921 15.999 > 1 5 O 0.38442559426361 0.28843639002833 0.96333837961079 15.999 > 5 6 O 0.88442559426361 0.28843639002833 0.96333837961079 15.999 > 5 7 O 0.38442559426361 0.78843639002833 0.96333837961079 15.999 > 5 8 O 0.88442559426361 0.78843639002833 0.96333837961079 15.999 > 5 9 O 0.11557440573639 0.21156360997167 0.46333837961079 15.999 > 9 10 O 0.61557440573639 0.21156360997167 0.46333837961079 15.999 > 9 11 O 0.11557440573639 0.71156360997167 0.46333837961079 15.999 > 9 12 O 0.61557440573639 0.71156360997167 0.46333837961079 15.999 > 9 13 O 0.11557440573639 0.03843639002833 0.53666162038921 15.999 > 13 14 O 0.61557440573639 0.03843639002833 0.53666162038921 15.999 > 13 15 O 0.11557440573639 0.53843639002833 0.53666162038921 15.999 > 13 16 O 0.61557440573639 0.53843639002833 0.53666162038921 15.999 > 13 17 O 0.11557440573639 0.03843639002833 0.96333837961079 15.999 > 17 18 O 0.61557440573639 0.03843639002833 0.96333837961079 15.999 > 17 19 O 0.11557440573639 0.53843639002833 0.96333837961079 15.999 > 17 20 O 0.61557440573639 0.53843639002833 0.96333837961079 15.999 > 17 21 O 0.11557440573639 0.21156360997167 0.03666162038921 15.999 > 21 22 O 0.61557440573639 0.21156360997167 0.03666162038921 15.999 > 21 23 O 0.11557440573639 0.71156360997167 0.03666162038921 15.999 > 21 24 O 0.61557440573639 0.71156360997167 0.03666162038921 15.999 > 21 25 O 0.38442559426361 0.28843639002833 0.53666162038921 15.999 > 25 26 O 0.88442559426361 0.28843639002833 0.53666162038921 15.999 > 25 27 O 0.38442559426361 0.78843639002833 0.53666162038921 15.999 > 25 28 O 0.88442559426361 0.78843639002833 0.53666162038921 15.999 > 25 29 O 0.38442559426361 0.46156360997167 0.46333837961079 15.999 > 29 30 O 0.88442559426361 0.46156360997167 0.46333837961079 15.999 > 29 31 O 0.38442559426361 0.96156360997167 0.46333837961079 15.999 > 29 32 O 0.88442559426361 0.96156360997167 0.46333837961079 15.999 > 29 33 O 0.27446798415060 0.11506031389620 0.11546291642648 15.999 > 33 34 O 0.77446798415060 0.11506031389620 0.11546291642648 15.999 > 33 35 O 0.27446798415060 0.61506031389620 0.11546291642648 15.999 > 33 36 O 0.77446798415060 0.61506031389620 0.11546291642648 15.999 > 33 37 O 0.27446798415060 0.11506031389620 0.38453708357352 15.999 > 37 38 O 0.77446798415060 0.11506031389620 0.38453708357352 15.999 > 37 39 O 0.27446798415060 0.61506031389620 0.38453708357352 15.999 > 37 40 O 0.77446798415060 0.61506031389620 0.38453708357352 15.999 > 37 41 O 0.22553201584940 0.36506031389620 0.38453708357352 15.999 > 41 42 O 0.72553201584940 0.36506031389620 0.38453708357352 15.999 > 41 43 O 0.22553201584940 0.86506031389620 0.38453708357352 15.999 > 41 44 O 0.72553201584940 0.86506031389620 0.38453708357352 15.999 > 41 45 O 0.22553201584940 0.38493968610380 0.61546291642648 15.999 > 45 46 O 0.72553201584940 0.38493968610380 0.61546291642648 15.999 > 45 47 O 0.22553201584940 0.88493968610380 0.61546291642648 15.999 > 45 48 O 0.72553201584940 0.88493968610380 0.61546291642648 15.999 > 45 49 O 0.22553201584940 0.38493968610380 0.88453708357352 15.999 > 49 50 O 0.72553201584940 0.38493968610380 0.88453708357352 15.999 > 49 51 O 0.22553201584940 0.88493968610380 0.88453708357352 15.999 > 49 52 O 0.72553201584940 0.88493968610380 0.88453708357352 15.999 > 49 53 O 0.22553201584940 0.36506031389620 0.11546291642648 15.999 > 53 54 O 0.72553201584940 0.36506031389620 0.11546291642648 15.999 > 53 55 O 0.22553201584940 0.86506031389620 0.11546291642648 15.999 > 53 56 O 0.72553201584940 0.86506031389620 0.11546291642648 15.999 > 53 57 O 0.27446798415060 0.13493968610380 0.61546291642648 15.999 > 57 58 O 0.77446798415060 0.13493968610380 0.61546291642648 15.999 > 57 59 O 0.27446798415060 0.63493968610380 0.61546291642648 15.999 > 57 60 O 0.77446798415060 0.63493968610380 0.61546291642648 15.999 > 57 61 O 0.27446798415060 0.13493968610380 0.88453708357352 15.999 > 61 62 O 0.77446798415060 0.13493968610380 0.88453708357352 15.999 > 61 63 O 0.27446798415060 0.63493968610380 0.88453708357352 15.999 > 61 64 O 0.77446798415060 0.63493968610380 0.88453708357352 15.999 > 61 65 Si 0.30670529579804 0.37500000000000 0.00000000000000 28.085 > 65 66 Si 0.80670529579804 0.37500000000000 0.00000000000000 28.085 > 65 67 Si 0.30670529579804 0.87500000000000 0.00000000000000 28.085 > 65 68 Si 0.80670529579804 0.87500000000000 0.00000000000000 28.085 > 65 69 Si 0.19329470420196 0.12500000000000 0.00000000000000 28.085 > 69 70 Si 0.69329470420196 0.12500000000000 0.00000000000000 28.085 > 69 71 Si 0.19329470420196 0.62500000000000 0.00000000000000 28.085 > 69 72 Si 0.69329470420196 0.62500000000000 0.00000000000000 28.085 > 69 73 Si 0.19329470420196 0.12500000000000 0.50000000000000 28.085 > 73 74 Si 0.69329470420196 0.12500000000000 0.50000000000000 28.085 > 73 75 Si 0.19329470420196 0.62500000000000 0.50000000000000 28.085 > 73 76 Si 0.69329470420196 0.62500000000000 0.50000000000000 28.085 > 73 77 Si 0.30670529579804 0.37500000000000 0.50000000000000 28.085 > 77 78 Si 0.80670529579804 0.37500000000000 0.50000000000000 28.085 > 77 79 Si 0.30670529579804 0.87500000000000 0.50000000000000 28.085 > 77 80 Si 0.80670529579804 0.87500000000000 0.50000000000000 28.085 > 77 81 Te 0.04998903805915 0.21329094295542 0.75000000000000 127.600 > 81 82 Te 0.54998903805915 0.21329094295542 0.75000000000000 127.600 > 81 83 Te 0.04998903805915 0.71329094295542 0.75000000000000 127.600 > 81 84 Te 0.54998903805915 0.71329094295542 0.75000000000000 127.600 > 81 85 Te 0.04998903805915 0.03670905704458 0.25000000000000 127.600 > 85 86 Te 0.54998903805915 0.03670905704458 0.25000000000000 127.600 > 85 87 Te 0.04998903805915 0.53670905704458 0.25000000000000 127.600 > 85 88 Te 0.54998903805915 0.53670905704458 0.25000000000000 127.600 > 85 89 Te 0.45001096194085 0.46329094295542 0.75000000000000 127.600 > 89 90 Te 0.95001096194085 0.46329094295542 0.75000000000000 127.600 > 89 91 Te 0.45001096194085 0.96329094295542 0.75000000000000 127.600 > 89 92 Te 0.95001096194085 0.96329094295542 0.75000000000000 127.600 > 89 93 Te 0.45001096194085 0.28670905704458 0.25000000000000 127.600 > 93 94 Te 0.95001096194085 0.28670905704458 0.25000000000000 127.600 > 93 95 Te 0.45001096194085 0.78670905704458 0.25000000000000 127.600 > 93 96 Te 0.95001096194085 0.78670905704458 0.25000000000000 127.600 > 93 97 Pr 0.44435593551900 0.12500000000000 0.50000000000000 140.908 > 97 98 Pr 0.94435593551900 0.12500000000000 0.50000000000000 140.908 > 97 99 Pr 0.44435593551900 0.62500000000000 0.50000000000000 140.908 > 97 100 Pr 0.94435593551900 0.62500000000000 0.50000000000000 140.908 > 97 101 Pr 0.44435593551900 0.12500000000000 0.00000000000000 140.908 > 101 102 Pr 0.94435593551900 0.12500000000000 0.00000000000000 140.908 > 101 103 Pr 0.44435593551900 0.62500000000000 0.00000000000000 140.908 > 101 104 Pr 0.94435593551900 0.62500000000000 0.00000000000000 140.908 > 101 105 Pr 0.05564406448100 0.37500000000000 0.50000000000000 140.908 > 105 106 Pr 0.55564406448100 0.37500000000000 0.50000000000000 140.908 > 105 107 Pr 0.05564406448100 0.87500000000000 0.50000000000000 140.908 > 105 108 Pr 0.55564406448100 0.87500000000000 0.50000000000000 140.908 > 105 109 Pr 0.05564406448100 0.37500000000000 0.00000000000000 140.908 > 109 110 Pr 0.55564406448100 0.37500000000000 0.00000000000000 140.908 > 109 111 Pr 0.05564406448100 0.87500000000000 0.00000000000000 140.908 > 109 112 Pr 0.55564406448100 0.87500000000000 0.00000000000000 140.908 > 109 113 Pr 0.19302782686127 0.01963791580301 0.75000000000000 140.908 > 113 114 Pr 0.69302782686127 0.01963791580301 0.75000000000000 140.908 > 113 115 Pr 0.19302782686127 0.51963791580301 0.75000000000000 140.908 > 113 116 Pr 0.69302782686127 0.51963791580301 0.75000000000000 140.908 > 113 117 Pr 0.19302782686127 0.23036208419699 0.25000000000000 140.908 > 117 118 Pr 0.69302782686127 0.23036208419699 0.25000000000000 140.908 > 117 119 Pr 0.19302782686127 0.73036208419699 0.25000000000000 140.908 > 117 120 Pr 0.69302782686127 0.73036208419699 0.25000000000000 140.908 > 117 121 Pr 0.30697217313873 0.26963791580301 0.75000000000000 140.908 > 121 122 Pr 0.80697217313873 0.26963791580301 0.75000000000000 140.908 > 121 123 Pr 0.30697217313873 0.76963791580301 0.75000000000000 140.908 > 121 124 Pr 0.80697217313873 0.76963791580301 0.75000000000000 140.908 > 121 125 Pr 0.30697217313873 0.48036208419699 0.25000000000000 140.908 > 125 126 Pr 0.80697217313873 0.48036208419699 0.25000000000000 140.908 > 125 127 Pr 0.30697217313873 0.98036208419699 0.25000000000000 140.908 > 125 128 Pr 0.80697217313873 0.98036208419699 0.25000000000000 140.908 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1691730 0.0000000 0.0000000 0.0000000 6.4343659 0.0000000 0.0000000 0.0000000 6.1802341 -------------------------- Born effective charges -------------------------- 1 O -2.1864472 -0.3185121 0.0777778 -0.3841297 -2.4922766 -0.1003484 0.0776793 -0.1318617 -2.5149880 2 O -2.1864472 0.3185121 -0.0777778 0.3841297 -2.4922766 -0.1003484 -0.0776793 -0.1318617 -2.5149880 3 O -2.1864472 0.3185121 0.0777778 0.3841297 -2.4922766 0.1003484 0.0776793 0.1318617 -2.5149880 4 O -2.1864472 -0.3185121 -0.0777778 -0.3841297 -2.4922766 0.1003484 -0.0776793 0.1318617 -2.5149880 5 O -2.1864472 -0.3185121 0.0777778 -0.3841297 -2.4922766 -0.1003484 0.0776793 -0.1318617 -2.5149880 6 O -2.1864472 0.3185121 -0.0777778 0.3841297 -2.4922766 -0.1003484 -0.0776793 -0.1318617 -2.5149880 7 O -2.1864472 0.3185121 0.0777778 0.3841297 -2.4922766 0.1003484 0.0776793 0.1318617 -2.5149880 8 O -2.1864472 -0.3185121 -0.0777778 -0.3841297 -2.4922766 0.1003484 -0.0776793 0.1318617 -2.5149880 9 O -2.8068382 0.2615902 -0.0349577 0.0774314 -1.9712380 0.2236362 0.0219132 0.0300650 -2.5608845 10 O -2.8068382 0.2615902 0.0349577 0.0774314 -1.9712380 -0.2236362 -0.0219132 -0.0300650 -2.5608845 11 O -2.8068382 -0.2615902 -0.0349577 -0.0774314 -1.9712380 -0.2236362 0.0219132 -0.0300650 -2.5608845 12 O -2.8068382 0.2615902 0.0349577 0.0774314 -1.9712380 -0.2236362 -0.0219132 -0.0300650 -2.5608845 13 O -2.8068382 0.2615902 -0.0349577 0.0774314 -1.9712380 0.2236362 0.0219132 0.0300650 -2.5608845 14 O -2.8068382 -0.2615902 0.0349577 -0.0774314 -1.9712380 0.2236362 -0.0219132 0.0300650 -2.5608845 15 O -2.8068382 -0.2615902 -0.0349577 -0.0774314 -1.9712380 -0.2236362 0.0219132 -0.0300650 -2.5608845 16 O -2.8068382 -0.2615902 0.0349577 -0.0774314 -1.9712380 0.2236362 -0.0219132 0.0300650 -2.5608845 17 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 -0.1613419 0.0000000 0.1042119 3.8176290 18 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 -0.1613419 0.0000000 0.1042119 3.8176290 19 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 0.1613419 0.0000000 -0.1042119 3.8176290 20 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 0.1613419 0.0000000 -0.1042119 3.8176290 21 Te -2.3575845 0.0793377 0.0000000 -0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 22 Te -2.3575845 -0.0793377 0.0000000 0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 23 Te -2.3575845 -0.0793377 0.0000000 0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 24 Te -2.3575845 0.0793377 0.0000000 -0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 25 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 -0.2051453 0.0000000 -0.1112990 4.6446803 26 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 0.2051453 0.0000000 0.1112990 4.6446803 27 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 -0.2051453 0.0000000 -0.1112990 4.6446803 28 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 0.2051453 0.0000000 0.1112990 4.6446803 29 Pr 4.5572571 -0.3622482 0.0000000 -0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 30 Pr 4.5572571 0.3622482 0.0000000 0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 31 Pr 4.5572571 0.3622482 0.0000000 0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 32 Pr 4.5572571 -0.3622482 0.0000000 -0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:43:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:43:27]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.335575250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.214507059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): 1 O 0.76885118852721 0.92312721994335 0.03666162038921 15.999 2 O 0.76885118852721 0.57687278005665 0.96333837961079 15.999 3 O 0.23114881147279 0.42312721994335 0.46333837961079 15.999 4 O 0.23114881147279 0.07687278005665 0.53666162038921 15.999 5 O 0.23114881147279 0.07687278005665 0.96333837961079 15.999 6 O 0.23114881147279 0.42312721994335 0.03666162038921 15.999 7 O 0.76885118852721 0.57687278005665 0.53666162038921 15.999 8 O 0.76885118852721 0.92312721994335 0.46333837961079 15.999 9 O 0.54893596830121 0.23012062779240 0.11546291642648 15.999 10 O 0.54893596830121 0.23012062779240 0.38453708357352 15.999 11 O 0.45106403169879 0.73012062779241 0.38453708357352 15.999 12 O 0.45106403169879 0.76987937220759 0.61546291642648 15.999 13 O 0.45106403169879 0.76987937220759 0.88453708357352 15.999 14 O 0.45106403169879 0.73012062779241 0.11546291642648 15.999 15 O 0.54893596830121 0.26987937220760 0.61546291642648 15.999 16 O 0.54893596830121 0.26987937220760 0.88453708357352 15.999 17 Si 0.61341059159608 0.75000000000000 0.00000000000000 28.085 18 Si 0.38658940840392 0.25000000000000 0.00000000000000 28.085 19 Si 0.38658940840392 0.25000000000000 0.50000000000000 28.085 20 Si 0.61341059159608 0.75000000000000 0.50000000000000 28.085 21 Te 0.09997807611831 0.42658188591083 0.75000000000000 127.600 22 Te 0.09997807611831 0.07341811408917 0.25000000000000 127.600 23 Te 0.90002192388169 0.92658188591083 0.75000000000000 127.600 24 Te 0.90002192388169 0.57341811408917 0.25000000000000 127.600 25 Pr 0.88871187103801 0.25000000000000 0.50000000000000 140.908 26 Pr 0.88871187103801 0.25000000000000 0.00000000000000 140.908 27 Pr 0.11128812896199 0.75000000000000 0.50000000000000 140.908 28 Pr 0.11128812896199 0.75000000000000 0.00000000000000 140.908 29 Pr 0.38605565372254 0.03927583160601 0.75000000000000 140.908 30 Pr 0.38605565372254 0.46072416839399 0.25000000000000 140.908 31 Pr 0.61394434627746 0.53927583160601 0.75000000000000 140.908 32 Pr 0.61394434627746 0.96072416839399 0.25000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.671150500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.429014119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191915639999998 Atomic positions (fractional): 1 O 0.38442559426361 0.46156360997167 0.03666162038921 15.999 > 1 2 O 0.88442559426361 0.46156360997167 0.03666162038921 15.999 > 1 3 O 0.38442559426361 0.96156360997167 0.03666162038921 15.999 > 1 4 O 0.88442559426361 0.96156360997167 0.03666162038921 15.999 > 1 5 O 0.38442559426361 0.28843639002833 0.96333837961079 15.999 > 5 6 O 0.88442559426361 0.28843639002833 0.96333837961079 15.999 > 5 7 O 0.38442559426361 0.78843639002833 0.96333837961079 15.999 > 5 8 O 0.88442559426361 0.78843639002833 0.96333837961079 15.999 > 5 9 O 0.11557440573639 0.21156360997167 0.46333837961079 15.999 > 9 10 O 0.61557440573639 0.21156360997167 0.46333837961079 15.999 > 9 11 O 0.11557440573639 0.71156360997167 0.46333837961079 15.999 > 9 12 O 0.61557440573639 0.71156360997167 0.46333837961079 15.999 > 9 13 O 0.11557440573639 0.03843639002833 0.53666162038921 15.999 > 13 14 O 0.61557440573639 0.03843639002833 0.53666162038921 15.999 > 13 15 O 0.11557440573639 0.53843639002833 0.53666162038921 15.999 > 13 16 O 0.61557440573639 0.53843639002833 0.53666162038921 15.999 > 13 17 O 0.11557440573639 0.03843639002833 0.96333837961079 15.999 > 17 18 O 0.61557440573639 0.03843639002833 0.96333837961079 15.999 > 17 19 O 0.11557440573639 0.53843639002833 0.96333837961079 15.999 > 17 20 O 0.61557440573639 0.53843639002833 0.96333837961079 15.999 > 17 21 O 0.11557440573639 0.21156360997167 0.03666162038921 15.999 > 21 22 O 0.61557440573639 0.21156360997167 0.03666162038921 15.999 > 21 23 O 0.11557440573639 0.71156360997167 0.03666162038921 15.999 > 21 24 O 0.61557440573639 0.71156360997167 0.03666162038921 15.999 > 21 25 O 0.38442559426361 0.28843639002833 0.53666162038921 15.999 > 25 26 O 0.88442559426361 0.28843639002833 0.53666162038921 15.999 > 25 27 O 0.38442559426361 0.78843639002833 0.53666162038921 15.999 > 25 28 O 0.88442559426361 0.78843639002833 0.53666162038921 15.999 > 25 29 O 0.38442559426361 0.46156360997167 0.46333837961079 15.999 > 29 30 O 0.88442559426361 0.46156360997167 0.46333837961079 15.999 > 29 31 O 0.38442559426361 0.96156360997167 0.46333837961079 15.999 > 29 32 O 0.88442559426361 0.96156360997167 0.46333837961079 15.999 > 29 33 O 0.27446798415060 0.11506031389620 0.11546291642648 15.999 > 33 34 O 0.77446798415060 0.11506031389620 0.11546291642648 15.999 > 33 35 O 0.27446798415060 0.61506031389620 0.11546291642648 15.999 > 33 36 O 0.77446798415060 0.61506031389620 0.11546291642648 15.999 > 33 37 O 0.27446798415060 0.11506031389620 0.38453708357352 15.999 > 37 38 O 0.77446798415060 0.11506031389620 0.38453708357352 15.999 > 37 39 O 0.27446798415060 0.61506031389620 0.38453708357352 15.999 > 37 40 O 0.77446798415060 0.61506031389620 0.38453708357352 15.999 > 37 41 O 0.22553201584940 0.36506031389620 0.38453708357352 15.999 > 41 42 O 0.72553201584940 0.36506031389620 0.38453708357352 15.999 > 41 43 O 0.22553201584940 0.86506031389620 0.38453708357352 15.999 > 41 44 O 0.72553201584940 0.86506031389620 0.38453708357352 15.999 > 41 45 O 0.22553201584940 0.38493968610380 0.61546291642648 15.999 > 45 46 O 0.72553201584940 0.38493968610380 0.61546291642648 15.999 > 45 47 O 0.22553201584940 0.88493968610380 0.61546291642648 15.999 > 45 48 O 0.72553201584940 0.88493968610380 0.61546291642648 15.999 > 45 49 O 0.22553201584940 0.38493968610380 0.88453708357352 15.999 > 49 50 O 0.72553201584940 0.38493968610380 0.88453708357352 15.999 > 49 51 O 0.22553201584940 0.88493968610380 0.88453708357352 15.999 > 49 52 O 0.72553201584940 0.88493968610380 0.88453708357352 15.999 > 49 53 O 0.22553201584940 0.36506031389620 0.11546291642648 15.999 > 53 54 O 0.72553201584940 0.36506031389620 0.11546291642648 15.999 > 53 55 O 0.22553201584940 0.86506031389620 0.11546291642648 15.999 > 53 56 O 0.72553201584940 0.86506031389620 0.11546291642648 15.999 > 53 57 O 0.27446798415060 0.13493968610380 0.61546291642648 15.999 > 57 58 O 0.77446798415060 0.13493968610380 0.61546291642648 15.999 > 57 59 O 0.27446798415060 0.63493968610380 0.61546291642648 15.999 > 57 60 O 0.77446798415060 0.63493968610380 0.61546291642648 15.999 > 57 61 O 0.27446798415060 0.13493968610380 0.88453708357352 15.999 > 61 62 O 0.77446798415060 0.13493968610380 0.88453708357352 15.999 > 61 63 O 0.27446798415060 0.63493968610380 0.88453708357352 15.999 > 61 64 O 0.77446798415060 0.63493968610380 0.88453708357352 15.999 > 61 65 Si 0.30670529579804 0.37500000000000 0.00000000000000 28.085 > 65 66 Si 0.80670529579804 0.37500000000000 0.00000000000000 28.085 > 65 67 Si 0.30670529579804 0.87500000000000 0.00000000000000 28.085 > 65 68 Si 0.80670529579804 0.87500000000000 0.00000000000000 28.085 > 65 69 Si 0.19329470420196 0.12500000000000 0.00000000000000 28.085 > 69 70 Si 0.69329470420196 0.12500000000000 0.00000000000000 28.085 > 69 71 Si 0.19329470420196 0.62500000000000 0.00000000000000 28.085 > 69 72 Si 0.69329470420196 0.62500000000000 0.00000000000000 28.085 > 69 73 Si 0.19329470420196 0.12500000000000 0.50000000000000 28.085 > 73 74 Si 0.69329470420196 0.12500000000000 0.50000000000000 28.085 > 73 75 Si 0.19329470420196 0.62500000000000 0.50000000000000 28.085 > 73 76 Si 0.69329470420196 0.62500000000000 0.50000000000000 28.085 > 73 77 Si 0.30670529579804 0.37500000000000 0.50000000000000 28.085 > 77 78 Si 0.80670529579804 0.37500000000000 0.50000000000000 28.085 > 77 79 Si 0.30670529579804 0.87500000000000 0.50000000000000 28.085 > 77 80 Si 0.80670529579804 0.87500000000000 0.50000000000000 28.085 > 77 81 Te 0.04998903805915 0.21329094295542 0.75000000000000 127.600 > 81 82 Te 0.54998903805915 0.21329094295542 0.75000000000000 127.600 > 81 83 Te 0.04998903805915 0.71329094295542 0.75000000000000 127.600 > 81 84 Te 0.54998903805915 0.71329094295542 0.75000000000000 127.600 > 81 85 Te 0.04998903805915 0.03670905704458 0.25000000000000 127.600 > 85 86 Te 0.54998903805915 0.03670905704458 0.25000000000000 127.600 > 85 87 Te 0.04998903805915 0.53670905704458 0.25000000000000 127.600 > 85 88 Te 0.54998903805915 0.53670905704458 0.25000000000000 127.600 > 85 89 Te 0.45001096194085 0.46329094295542 0.75000000000000 127.600 > 89 90 Te 0.95001096194085 0.46329094295542 0.75000000000000 127.600 > 89 91 Te 0.45001096194085 0.96329094295542 0.75000000000000 127.600 > 89 92 Te 0.95001096194085 0.96329094295542 0.75000000000000 127.600 > 89 93 Te 0.45001096194085 0.28670905704458 0.25000000000000 127.600 > 93 94 Te 0.95001096194085 0.28670905704458 0.25000000000000 127.600 > 93 95 Te 0.45001096194085 0.78670905704458 0.25000000000000 127.600 > 93 96 Te 0.95001096194085 0.78670905704458 0.25000000000000 127.600 > 93 97 Pr 0.44435593551900 0.12500000000000 0.50000000000000 140.908 > 97 98 Pr 0.94435593551900 0.12500000000000 0.50000000000000 140.908 > 97 99 Pr 0.44435593551900 0.62500000000000 0.50000000000000 140.908 > 97 100 Pr 0.94435593551900 0.62500000000000 0.50000000000000 140.908 > 97 101 Pr 0.44435593551900 0.12500000000000 0.00000000000000 140.908 > 101 102 Pr 0.94435593551900 0.12500000000000 0.00000000000000 140.908 > 101 103 Pr 0.44435593551900 0.62500000000000 0.00000000000000 140.908 > 101 104 Pr 0.94435593551900 0.62500000000000 0.00000000000000 140.908 > 101 105 Pr 0.05564406448100 0.37500000000000 0.50000000000000 140.908 > 105 106 Pr 0.55564406448100 0.37500000000000 0.50000000000000 140.908 > 105 107 Pr 0.05564406448100 0.87500000000000 0.50000000000000 140.908 > 105 108 Pr 0.55564406448100 0.87500000000000 0.50000000000000 140.908 > 105 109 Pr 0.05564406448100 0.37500000000000 0.00000000000000 140.908 > 109 110 Pr 0.55564406448100 0.37500000000000 0.00000000000000 140.908 > 109 111 Pr 0.05564406448100 0.87500000000000 0.00000000000000 140.908 > 109 112 Pr 0.55564406448100 0.87500000000000 0.00000000000000 140.908 > 109 113 Pr 0.19302782686127 0.01963791580301 0.75000000000000 140.908 > 113 114 Pr 0.69302782686127 0.01963791580301 0.75000000000000 140.908 > 113 115 Pr 0.19302782686127 0.51963791580301 0.75000000000000 140.908 > 113 116 Pr 0.69302782686127 0.51963791580301 0.75000000000000 140.908 > 113 117 Pr 0.19302782686127 0.23036208419699 0.25000000000000 140.908 > 117 118 Pr 0.69302782686127 0.23036208419699 0.25000000000000 140.908 > 117 119 Pr 0.19302782686127 0.73036208419699 0.25000000000000 140.908 > 117 120 Pr 0.69302782686127 0.73036208419699 0.25000000000000 140.908 > 117 121 Pr 0.30697217313873 0.26963791580301 0.75000000000000 140.908 > 121 122 Pr 0.80697217313873 0.26963791580301 0.75000000000000 140.908 > 121 123 Pr 0.30697217313873 0.76963791580301 0.75000000000000 140.908 > 121 124 Pr 0.80697217313873 0.76963791580301 0.75000000000000 140.908 > 121 125 Pr 0.30697217313873 0.48036208419699 0.25000000000000 140.908 > 125 126 Pr 0.80697217313873 0.48036208419699 0.25000000000000 140.908 > 125 127 Pr 0.30697217313873 0.98036208419699 0.25000000000000 140.908 > 125 128 Pr 0.80697217313873 0.98036208419699 0.25000000000000 140.908 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1691730 0.0000000 0.0000000 0.0000000 6.4343659 0.0000000 0.0000000 0.0000000 6.1802341 -------------------------- Born effective charges -------------------------- 1 O -2.1864472 -0.3185121 0.0777778 -0.3841297 -2.4922766 -0.1003484 0.0776793 -0.1318617 -2.5149880 2 O -2.1864472 0.3185121 -0.0777778 0.3841297 -2.4922766 -0.1003484 -0.0776793 -0.1318617 -2.5149880 3 O -2.1864472 0.3185121 0.0777778 0.3841297 -2.4922766 0.1003484 0.0776793 0.1318617 -2.5149880 4 O -2.1864472 -0.3185121 -0.0777778 -0.3841297 -2.4922766 0.1003484 -0.0776793 0.1318617 -2.5149880 5 O -2.1864472 -0.3185121 0.0777778 -0.3841297 -2.4922766 -0.1003484 0.0776793 -0.1318617 -2.5149880 6 O -2.1864472 0.3185121 -0.0777778 0.3841297 -2.4922766 -0.1003484 -0.0776793 -0.1318617 -2.5149880 7 O -2.1864472 0.3185121 0.0777778 0.3841297 -2.4922766 0.1003484 0.0776793 0.1318617 -2.5149880 8 O -2.1864472 -0.3185121 -0.0777778 -0.3841297 -2.4922766 0.1003484 -0.0776793 0.1318617 -2.5149880 9 O -2.8068382 0.2615902 -0.0349577 0.0774314 -1.9712380 0.2236362 0.0219132 0.0300650 -2.5608845 10 O -2.8068382 0.2615902 0.0349577 0.0774314 -1.9712380 -0.2236362 -0.0219132 -0.0300650 -2.5608845 11 O -2.8068382 -0.2615902 -0.0349577 -0.0774314 -1.9712380 -0.2236362 0.0219132 -0.0300650 -2.5608845 12 O -2.8068382 0.2615902 0.0349577 0.0774314 -1.9712380 -0.2236362 -0.0219132 -0.0300650 -2.5608845 13 O -2.8068382 0.2615902 -0.0349577 0.0774314 -1.9712380 0.2236362 0.0219132 0.0300650 -2.5608845 14 O -2.8068382 -0.2615902 0.0349577 -0.0774314 -1.9712380 0.2236362 -0.0219132 0.0300650 -2.5608845 15 O -2.8068382 -0.2615902 -0.0349577 -0.0774314 -1.9712380 -0.2236362 0.0219132 -0.0300650 -2.5608845 16 O -2.8068382 -0.2615902 0.0349577 -0.0774314 -1.9712380 0.2236362 -0.0219132 0.0300650 -2.5608845 17 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 -0.1613419 0.0000000 0.1042119 3.8176290 18 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 -0.1613419 0.0000000 0.1042119 3.8176290 19 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 0.1613419 0.0000000 -0.1042119 3.8176290 20 Si 3.8079845 0.0000000 0.0000000 0.0000000 2.6147225 0.1613419 0.0000000 -0.1042119 3.8176290 21 Te -2.3575845 0.0793377 0.0000000 -0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 22 Te -2.3575845 -0.0793377 0.0000000 0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 23 Te -2.3575845 -0.0793377 0.0000000 0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 24 Te -2.3575845 0.0793377 0.0000000 -0.0222694 -2.1335849 0.0000000 0.0000000 0.0000000 -2.0363632 25 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 -0.2051453 0.0000000 -0.1112990 4.6446803 26 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 0.2051453 0.0000000 0.1112990 4.6446803 27 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 -0.2051453 0.0000000 -0.1112990 4.6446803 28 Pr 3.9789138 0.0000000 0.0000000 0.0000000 4.4772559 0.2051453 0.0000000 0.1112990 4.6446803 29 Pr 4.5572571 -0.3622482 0.0000000 -0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 30 Pr 4.5572571 0.3622482 0.0000000 0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 31 Pr 4.5572571 0.3622482 0.0000000 0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 32 Pr 4.5572571 -0.3622482 0.0000000 -0.3070403 3.9686357 0.0000000 0.0000000 0.0000000 3.7257989 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.52, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 0.000) 0.000 14.872 ( 0.000 0.000 0.000) 0.000 15.063 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.656 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 23.663 ( 0.000 0.000 0.000) 0.000 23.678 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 23.923 ( 0.000 0.000 0.000) 0.000 23.957 ( 0.000 0.000 0.000) 0.000 24.095 ( 0.000 0.000 0.000) 0.000 24.479 ( 0.000 0.000 0.000) 0.000 24.553 ( 0.000 0.000 0.000) 0.000 26.398 ( 0.000 0.000 0.000) 0.000 26.576 ( 0.000 0.000 0.000) 0.000 26.639 ( 0.000 0.000 0.000) 0.000 26.661 ( 0.000 0.000 0.000) 0.000 26.694 ( 0.000 0.000 0.000) 0.000 26.741 ( 0.000 0.000 0.000) 0.000 26.781 ( 0.000 0.000 0.000) 0.000 27.610 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 26.922 0.000 0.000) 26.922 0.537 ( 26.956 0.000 0.000) 26.956 1.146 ( 55.578 0.000 0.000) 55.578 1.386 ( -0.884 0.000 0.000) 0.884 1.630 ( -7.424 0.000 0.000) 7.424 1.802 ( 3.188 0.000 0.000) 3.188 1.820 ( 2.874 0.000 0.000) 2.874 2.134 ( 7.953 0.000 0.000) 7.953 2.410 ( -1.051 0.000 0.000) 1.051 2.685 ( 10.108 0.000 0.000) 10.108 2.786 ( -2.214 0.000 0.000) 2.214 2.888 ( 0.658 0.000 0.000) 0.658 2.952 ( -0.523 0.000 0.000) 0.523 2.953 ( -6.709 0.000 0.000) 6.709 3.052 ( -10.160 0.000 0.000) 10.160 3.127 ( 6.267 0.000 0.000) 6.267 3.147 ( -0.474 0.000 0.000) 0.474 3.193 ( 11.196 0.000 0.000) 11.196 3.318 ( 7.231 0.000 0.000) 7.231 3.325 ( -0.443 0.000 0.000) 0.443 3.332 ( 2.969 0.000 0.000) 2.969 3.513 ( 6.832 0.000 0.000) 6.832 3.559 ( 14.033 0.000 0.000) 14.033 3.662 ( 2.254 0.000 0.000) 2.254 3.703 ( 2.270 0.000 0.000) 2.270 3.938 ( 15.610 0.000 0.000) 15.610 3.982 ( -0.859 0.000 0.000) 0.859 4.041 ( 1.956 0.000 0.000) 1.956 4.151 ( -2.747 0.000 0.000) 2.747 4.218 ( 1.700 0.000 0.000) 1.700 4.324 ( -0.465 0.000 0.000) 0.465 4.376 ( 7.487 0.000 0.000) 7.487 4.657 ( -0.987 0.000 0.000) 0.987 4.851 ( 1.492 0.000 0.000) 1.492 5.081 ( 2.719 0.000 0.000) 2.719 5.308 ( 2.293 0.000 0.000) 2.293 5.912 ( -3.560 0.000 0.000) 3.560 6.235 ( -1.322 0.000 0.000) 1.322 6.287 ( -2.393 0.000 0.000) 2.393 6.572 ( 0.315 0.000 0.000) 0.315 6.671 ( 1.551 0.000 0.000) 1.551 6.897 ( 2.915 0.000 0.000) 2.915 6.975 ( -0.026 0.000 0.000) 0.026 7.075 ( -0.328 0.000 0.000) 0.328 7.376 ( -0.355 0.000 0.000) 0.355 7.645 ( 6.102 0.000 0.000) 6.102 7.682 ( 1.465 0.000 0.000) 1.465 7.738 ( -0.912 0.000 0.000) 0.912 7.778 ( -6.150 0.000 0.000) 6.150 7.794 ( -1.887 0.000 0.000) 1.887 8.026 ( 5.794 0.000 0.000) 5.794 8.228 ( 0.155 0.000 0.000) 0.155 8.606 ( 4.158 0.000 0.000) 4.158 8.756 ( -2.254 0.000 0.000) 2.254 8.758 ( -4.190 0.000 0.000) 4.190 9.150 ( 1.631 0.000 0.000) 1.631 9.592 ( -12.612 0.000 0.000) 12.612 9.645 ( -0.602 0.000 0.000) 0.602 10.192 ( -5.267 0.000 0.000) 5.267 10.230 ( 1.633 0.000 0.000) 1.633 10.243 ( -2.733 0.000 0.000) 2.733 10.296 ( 0.741 0.000 0.000) 0.741 10.495 ( 1.665 0.000 0.000) 1.665 10.677 ( -8.512 0.000 0.000) 8.512 11.738 ( 1.856 0.000 0.000) 1.856 12.321 ( -9.382 0.000 0.000) 9.382 12.585 ( -2.565 0.000 0.000) 2.565 12.614 ( -7.420 0.000 0.000) 7.420 12.910 ( 9.171 0.000 0.000) 9.171 13.210 ( -5.032 0.000 0.000) 5.032 13.929 ( -9.226 0.000 0.000) 9.226 14.684 ( -9.258 0.000 0.000) 9.258 14.817 ( 5.554 0.000 0.000) 5.554 14.868 ( -0.337 0.000 0.000) 0.337 15.441 ( -6.032 0.000 0.000) 6.032 15.652 ( -0.907 0.000 0.000) 0.907 15.763 ( 5.717 0.000 0.000) 5.717 15.802 ( 10.644 0.000 0.000) 10.644 15.836 ( 8.407 0.000 0.000) 8.407 16.404 ( -0.063 0.000 0.000) 0.063 23.663 ( 0.043 0.000 0.000) 0.043 23.676 ( -0.148 0.000 0.000) 0.148 23.879 ( 0.034 0.000 0.000) 0.034 23.925 ( -1.504 0.000 0.000) 1.504 24.009 ( 1.871 0.000 0.000) 1.871 24.098 ( 0.251 0.000 0.000) 0.251 24.426 ( -3.455 0.000 0.000) 3.455 24.589 ( 1.719 0.000 0.000) 1.719 26.328 ( -5.110 0.000 0.000) 5.110 26.571 ( -0.448 0.000 0.000) 0.448 26.647 ( 0.656 0.000 0.000) 0.656 26.659 ( -3.268 0.000 0.000) 3.268 26.727 ( -1.394 0.000 0.000) 1.394 26.762 ( 8.056 0.000 0.000) 8.056 27.513 ( -9.091 0.000 0.000) 9.091 28.093 ( 3.181 0.000 0.000) 3.181 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 25.776 0.000 0.000) 25.776 1.058 ( 25.637 0.000 0.000) 25.637 1.366 ( -1.079 0.000 0.000) 1.079 1.504 ( -4.774 0.000 0.000) 4.774 1.878 ( 4.130 0.000 0.000) 4.130 1.882 ( 5.815 0.000 0.000) 5.815 2.168 ( 44.232 0.000 0.000) 44.232 2.253 ( 2.572 0.000 0.000) 2.572 2.415 ( 2.362 0.000 0.000) 2.362 2.739 ( -2.424 0.000 0.000) 2.424 2.789 ( -15.566 0.000 0.000) 15.566 2.812 ( -7.428 0.000 0.000) 7.428 2.830 ( 3.755 0.000 0.000) 3.755 2.894 ( 0.054 0.000 0.000) 0.054 2.939 ( -0.751 0.000 0.000) 0.751 3.158 ( 0.790 0.000 0.000) 0.790 3.252 ( -6.575 0.000 0.000) 6.575 3.301 ( 10.740 0.000 0.000) 10.740 3.384 ( 2.458 0.000 0.000) 2.458 3.404 ( 2.355 0.000 0.000) 2.355 3.516 ( 18.416 0.000 0.000) 18.416 3.704 ( 1.665 0.000 0.000) 1.665 3.746 ( 0.092 0.000 0.000) 0.092 3.757 ( 15.594 0.000 0.000) 15.594 3.901 ( 18.122 0.000 0.000) 18.122 3.981 ( 2.222 0.000 0.000) 2.222 4.068 ( -1.932 0.000 0.000) 1.932 4.094 ( 4.708 0.000 0.000) 4.708 4.136 ( 0.521 0.000 0.000) 0.521 4.308 ( -1.196 0.000 0.000) 1.196 4.408 ( 8.832 0.000 0.000) 8.832 4.544 ( 9.507 0.000 0.000) 9.507 4.693 ( 10.071 0.000 0.000) 10.071 4.885 ( 1.722 0.000 0.000) 1.722 5.239 ( 13.906 0.000 0.000) 13.906 5.392 ( 6.462 0.000 0.000) 6.462 5.843 ( -2.813 0.000 0.000) 2.813 6.201 ( -1.944 0.000 0.000) 1.944 6.232 ( -2.822 0.000 0.000) 2.822 6.580 ( 0.372 0.000 0.000) 0.372 6.699 ( 1.035 0.000 0.000) 1.035 6.968 ( -0.730 0.000 0.000) 0.730 6.970 ( 4.077 0.000 0.000) 4.077 7.070 ( 0.299 0.000 0.000) 0.299 7.361 ( -1.122 0.000 0.000) 1.122 7.634 ( -7.782 0.000 0.000) 7.782 7.650 ( -5.201 0.000 0.000) 5.201 7.718 ( 1.882 0.000 0.000) 1.882 7.773 ( -0.332 0.000 0.000) 0.332 7.804 ( 5.684 0.000 0.000) 5.684 8.144 ( 5.603 0.000 0.000) 5.603 8.215 ( -1.280 0.000 0.000) 1.280 8.644 ( -6.891 0.000 0.000) 6.891 8.695 ( -3.721 0.000 0.000) 3.721 8.719 ( 6.820 0.000 0.000) 6.820 9.193 ( 2.530 0.000 0.000) 2.530 9.260 ( -20.077 0.000 0.000) 20.077 9.657 ( 2.094 0.000 0.000) 2.094 10.037 ( -9.829 0.000 0.000) 9.829 10.188 ( -2.607 0.000 0.000) 2.607 10.256 ( 0.752 0.000 0.000) 0.752 10.318 ( 1.358 0.000 0.000) 1.358 10.466 ( -11.704 0.000 0.000) 11.704 10.509 ( -0.579 0.000 0.000) 0.579 11.787 ( 2.953 0.000 0.000) 2.953 12.157 ( -6.661 0.000 0.000) 6.661 12.446 ( -8.474 0.000 0.000) 8.474 12.516 ( -4.128 0.000 0.000) 4.128 13.072 ( 6.714 0.000 0.000) 6.714 13.078 ( -7.706 0.000 0.000) 7.706 13.735 ( -9.187 0.000 0.000) 9.187 14.514 ( -7.043 0.000 0.000) 7.043 14.860 ( -0.485 0.000 0.000) 0.485 14.947 ( 6.813 0.000 0.000) 6.813 15.287 ( -8.871 0.000 0.000) 8.871 15.629 ( -1.295 0.000 0.000) 1.295 15.835 ( 2.971 0.000 0.000) 2.971 16.032 ( 11.294 0.000 0.000) 11.294 16.059 ( 11.229 0.000 0.000) 11.229 16.399 ( -0.464 0.000 0.000) 0.464 23.665 ( 0.211 0.000 0.000) 0.211 23.673 ( -0.208 0.000 0.000) 0.208 23.878 ( -0.129 0.000 0.000) 0.129 23.908 ( -0.106 0.000 0.000) 0.106 24.035 ( 0.680 0.000 0.000) 0.680 24.104 ( 0.356 0.000 0.000) 0.356 24.374 ( -1.503 0.000 0.000) 1.503 24.592 ( -1.595 0.000 0.000) 1.595 26.236 ( -3.921 0.000 0.000) 3.921 26.561 ( -0.467 0.000 0.000) 0.467 26.581 ( -4.201 0.000 0.000) 4.201 26.662 ( 0.764 0.000 0.000) 0.764 26.690 ( -2.225 0.000 0.000) 2.225 26.924 ( 7.584 0.000 0.000) 7.584 27.300 ( -11.146 0.000 0.000) 11.146 28.169 ( 4.086 0.000 0.000) 4.086 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -0.735 0.000 0.000) 0.735 1.435 ( -0.726 0.000 0.000) 0.726 1.542 ( 23.067 0.000 0.000) 23.067 1.549 ( 21.770 0.000 0.000) 21.770 1.948 ( 2.538 0.000 0.000) 2.538 1.983 ( 4.567 0.000 0.000) 4.567 2.230 ( -4.921 0.000 0.000) 4.921 2.437 ( -2.089 0.000 0.000) 2.089 2.454 ( -17.906 0.000 0.000) 17.906 2.673 ( -5.819 0.000 0.000) 5.819 2.736 ( 3.728 0.000 0.000) 3.728 2.864 ( 0.494 0.000 0.000) 0.494 2.893 ( -0.101 0.000 0.000) 0.101 2.903 ( 28.276 0.000 0.000) 28.276 2.926 ( -0.553 0.000 0.000) 0.553 3.100 ( -8.098 0.000 0.000) 8.098 3.170 ( 0.403 0.000 0.000) 0.403 3.428 ( 1.838 0.000 0.000) 1.838 3.443 ( 2.263 0.000 0.000) 2.263 3.510 ( 8.744 0.000 0.000) 8.744 3.709 ( -2.391 0.000 0.000) 2.391 3.725 ( 0.574 0.000 0.000) 0.574 3.785 ( 8.190 0.000 0.000) 8.190 3.919 ( -3.641 0.000 0.000) 3.641 4.052 ( 3.525 0.000 0.000) 3.525 4.057 ( 1.187 0.000 0.000) 1.187 4.113 ( 10.295 0.000 0.000) 10.295 4.147 ( 0.311 0.000 0.000) 0.311 4.282 ( -1.249 0.000 0.000) 1.249 4.383 ( -5.950 0.000 0.000) 5.950 4.399 ( 19.821 0.000 0.000) 19.821 4.733 ( 8.780 0.000 0.000) 8.780 4.908 ( 0.268 0.000 0.000) 0.268 5.023 ( 16.650 0.000 0.000) 16.650 5.533 ( 5.547 0.000 0.000) 5.547 5.567 ( 16.110 0.000 0.000) 16.110 5.809 ( -0.805 0.000 0.000) 0.805 6.166 ( -1.424 0.000 0.000) 1.424 6.185 ( -1.745 0.000 0.000) 1.745 6.586 ( 0.236 0.000 0.000) 0.236 6.710 ( 0.254 0.000 0.000) 0.254 6.950 ( -0.872 0.000 0.000) 0.872 7.055 ( 4.921 0.000 0.000) 4.921 7.125 ( 6.102 0.000 0.000) 6.102 7.339 ( -0.971 0.000 0.000) 0.971 7.489 ( -10.692 0.000 0.000) 10.692 7.495 ( -5.626 0.000 0.000) 5.626 7.731 ( -1.524 0.000 0.000) 1.524 7.773 ( 0.173 0.000 0.000) 0.173 7.887 ( 2.706 0.000 0.000) 2.706 8.190 ( -1.031 0.000 0.000) 1.031 8.232 ( 3.129 0.000 0.000) 3.129 8.514 ( -5.490 0.000 0.000) 5.490 8.624 ( -2.916 0.000 0.000) 2.916 8.849 ( 5.594 0.000 0.000) 5.594 8.859 ( -18.374 0.000 0.000) 18.374 9.240 ( 1.945 0.000 0.000) 1.945 9.715 ( 3.062 0.000 0.000) 3.062 9.845 ( -8.338 0.000 0.000) 8.338 10.148 ( -1.377 0.000 0.000) 1.377 10.226 ( -5.768 0.000 0.000) 5.768 10.296 ( -2.326 0.000 0.000) 2.326 10.345 ( 1.216 0.000 0.000) 1.216 10.475 ( -2.366 0.000 0.000) 2.366 11.844 ( 2.520 0.000 0.000) 2.520 12.064 ( -2.837 0.000 0.000) 2.837 12.311 ( -4.761 0.000 0.000) 4.761 12.437 ( -3.489 0.000 0.000) 3.489 12.938 ( -5.665 0.000 0.000) 5.665 13.168 ( 3.031 0.000 0.000) 3.031 13.593 ( -4.882 0.000 0.000) 4.882 14.416 ( -3.019 0.000 0.000) 3.019 14.851 ( -0.348 0.000 0.000) 0.348 15.060 ( 4.250 0.000 0.000) 4.250 15.125 ( -6.583 0.000 0.000) 6.583 15.606 ( -0.925 0.000 0.000) 0.925 15.884 ( 1.802 0.000 0.000) 1.802 16.212 ( 6.483 0.000 0.000) 6.483 16.236 ( 6.288 0.000 0.000) 6.288 16.388 ( -0.538 0.000 0.000) 0.538 23.669 ( -0.147 0.000 0.000) 0.147 23.671 ( 0.286 0.000 0.000) 0.286 23.874 ( -0.254 0.000 0.000) 0.254 23.917 ( 0.811 0.000 0.000) 0.811 24.036 ( -0.367 0.000 0.000) 0.367 24.110 ( 0.252 0.000 0.000) 0.252 24.375 ( 1.696 0.000 0.000) 1.696 24.529 ( -4.427 0.000 0.000) 4.427 26.178 ( -1.991 0.000 0.000) 1.991 26.509 ( -2.745 0.000 0.000) 2.745 26.553 ( -0.270 0.000 0.000) 0.270 26.647 ( -1.824 0.000 0.000) 1.824 26.674 ( 0.482 0.000 0.000) 0.482 27.043 ( 4.268 0.000 0.000) 4.268 27.118 ( -6.565 0.000 0.000) 6.565 28.238 ( 2.669 0.000 0.000) 2.669 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.822 ( -0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.505 ( -0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.283 ( -0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.568 ( -0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.941 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.151 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 14.387 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.056 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.596 ( 0.000 0.000 0.000) 0.000 15.902 ( 0.000 0.000 0.000) 0.000 16.277 ( 0.000 0.000 0.000) 0.000 16.299 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 23.667 ( 0.000 0.000 0.000) 0.000 23.674 ( 0.000 0.000 0.000) 0.000 23.871 ( 0.000 0.000 0.000) 0.000 23.928 ( -0.000 0.000 0.000) 0.000 24.030 ( 0.000 0.000 0.000) 0.000 24.113 ( 0.000 0.000 0.000) 0.000 24.436 ( 0.000 0.000 0.000) 0.000 24.439 ( 0.000 0.000 0.000) 0.000 26.158 ( 0.000 0.000 0.000) 0.000 26.481 ( 0.000 0.000 0.000) 0.000 26.551 ( 0.000 0.000 0.000) 0.000 26.628 ( 0.000 0.000 0.000) 0.000 26.679 ( 0.000 0.000 0.000) 0.000 27.053 ( 0.000 0.000 0.000) 0.000 27.086 ( 0.000 0.000 0.000) 0.000 28.266 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 28.287 0.000) 28.287 0.580 ( 0.000 28.293 0.000) 28.293 1.022 ( 0.000 48.156 0.000) 48.156 1.586 ( 0.000 17.454 0.000) 17.454 1.778 ( 0.000 0.939 0.000) 0.939 1.857 ( 0.000 6.147 0.000) 6.147 2.075 ( 0.000 4.866 0.000) 4.866 2.258 ( 0.000 6.819 0.000) 6.819 2.419 ( 0.000 -0.345 0.000) 0.345 2.569 ( 0.000 0.774 0.000) 0.774 2.786 ( 0.000 -2.982 0.000) 2.982 2.807 ( 0.000 -7.982 0.000) 7.982 2.898 ( 0.000 -4.265 0.000) 4.265 2.962 ( 0.000 -4.985 0.000) 4.985 3.003 ( 0.000 -7.266 0.000) 7.266 3.047 ( 0.000 -2.071 0.000) 2.071 3.139 ( 0.000 -4.707 0.000) 4.707 3.150 ( 0.000 1.116 0.000) 1.116 3.252 ( 0.000 1.462 0.000) 1.462 3.287 ( 0.000 3.438 0.000) 3.438 3.299 ( 0.000 -2.652 0.000) 2.652 3.369 ( 0.000 -3.873 0.000) 3.873 3.441 ( 0.000 -1.987 0.000) 1.987 3.677 ( 0.000 3.153 0.000) 3.153 3.731 ( 0.000 1.301 0.000) 1.301 3.839 ( 0.000 6.868 0.000) 6.868 3.937 ( 0.000 -7.280 0.000) 7.280 3.970 ( 0.000 -2.162 0.000) 2.162 4.133 ( 0.000 -4.840 0.000) 4.840 4.246 ( 0.000 3.039 0.000) 3.039 4.281 ( 0.000 2.652 0.000) 2.652 4.332 ( 0.000 3.582 0.000) 3.582 4.397 ( 0.000 5.982 0.000) 5.982 4.801 ( 0.000 -3.650 0.000) 3.650 5.030 ( 0.000 -3.493 0.000) 3.493 5.196 ( 0.000 -8.750 0.000) 8.750 6.037 ( 0.000 7.464 0.000) 7.464 6.280 ( 0.000 2.944 0.000) 2.944 6.596 ( 0.000 2.749 0.000) 2.749 6.677 ( 0.000 2.350 0.000) 2.350 6.870 ( 0.000 0.272 0.000) 0.272 7.007 ( 0.000 3.024 0.000) 3.024 7.086 ( 0.000 0.667 0.000) 0.667 7.285 ( 0.000 -3.137 0.000) 3.137 7.376 ( 0.000 -0.312 0.000) 0.312 7.483 ( 0.000 -6.819 0.000) 6.819 7.614 ( 0.000 -3.727 0.000) 3.727 7.738 ( 0.000 -0.086 0.000) 0.086 7.754 ( 0.000 -0.041 0.000) 0.041 7.840 ( 0.000 0.995 0.000) 0.995 8.095 ( 0.000 11.476 0.000) 11.476 8.281 ( 0.000 -4.274 0.000) 4.274 8.316 ( 0.000 8.626 0.000) 8.626 8.510 ( 0.000 -19.230 0.000) 19.230 8.753 ( 0.000 -4.203 0.000) 4.203 8.913 ( 0.000 3.262 0.000) 3.262 9.139 ( 0.000 0.531 0.000) 0.531 9.677 ( 0.000 1.876 0.000) 1.876 10.100 ( 0.000 -11.433 0.000) 11.433 10.235 ( 0.000 1.093 0.000) 1.093 10.259 ( 0.000 -1.645 0.000) 1.645 10.305 ( 0.000 -0.718 0.000) 0.718 10.431 ( 0.000 -3.556 0.000) 3.556 10.730 ( 0.000 -3.398 0.000) 3.398 11.772 ( 0.000 5.557 0.000) 5.557 12.583 ( 0.000 -2.812 0.000) 2.812 12.787 ( 0.000 0.406 0.000) 0.406 12.806 ( 0.000 10.350 0.000) 10.350 12.968 ( 0.000 -7.472 0.000) 7.472 13.474 ( 0.000 14.354 0.000) 14.354 13.979 ( 0.000 -5.376 0.000) 5.376 14.670 ( 0.000 -3.244 0.000) 3.244 14.756 ( 0.000 -0.207 0.000) 0.207 14.846 ( 0.000 -2.464 0.000) 2.464 15.069 ( 0.000 0.830 0.000) 0.830 15.521 ( 0.000 -4.361 0.000) 4.361 15.663 ( 0.000 0.158 0.000) 0.158 15.673 ( 0.000 -0.730 0.000) 0.730 15.740 ( 0.000 6.569 0.000) 6.569 16.387 ( 0.000 -1.765 0.000) 1.765 23.668 ( 0.000 0.603 0.000) 0.603 23.725 ( 0.000 4.408 0.000) 4.408 23.866 ( 0.000 -1.257 0.000) 1.257 23.915 ( 0.000 -0.769 0.000) 0.769 23.951 ( 0.000 -0.650 0.000) 0.650 24.088 ( 0.000 -0.705 0.000) 0.705 24.575 ( 0.000 2.257 0.000) 2.257 25.162 ( 0.000 -3.347 0.000) 3.347 26.375 ( 0.000 -1.878 0.000) 1.878 26.511 ( 0.000 -6.481 0.000) 6.481 26.611 ( 0.000 -5.890 0.000) 5.890 26.634 ( 0.000 5.246 0.000) 5.246 26.671 ( 0.000 -2.216 0.000) 2.216 26.788 ( 0.000 6.353 0.000) 6.353 26.958 ( 0.000 10.496 0.000) 10.496 27.814 ( 0.000 -5.956 0.000) 5.956 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 17.822 20.239 0.000) 26.967 0.831 ( 17.949 21.777 0.000) 28.220 1.472 ( 38.040 27.752 0.000) 47.087 1.571 ( -1.352 16.985 0.000) 17.038 1.810 ( 3.065 0.789 0.000) 3.165 1.822 ( -7.261 8.618 0.000) 11.269 1.943 ( -3.927 12.246 0.000) 12.861 2.211 ( 3.210 5.761 0.000) 6.595 2.449 ( 1.655 4.903 0.000) 5.174 2.683 ( 8.376 -0.662 0.000) 8.402 2.757 ( -2.263 -2.978 0.000) 3.740 2.817 ( 0.094 -6.614 0.000) 6.614 2.892 ( -0.723 -3.632 0.000) 3.703 2.892 ( -4.271 -5.484 0.000) 6.951 3.085 ( 4.301 -3.308 0.000) 5.426 3.095 ( 2.842 -4.744 0.000) 5.530 3.123 ( -4.179 2.038 0.000) 4.650 3.181 ( 5.269 2.123 0.000) 5.681 3.257 ( 7.855 -5.483 0.000) 9.579 3.305 ( 0.520 -1.889 0.000) 1.959 3.354 ( 3.286 1.955 0.000) 3.824 3.502 ( 11.219 -4.418 0.000) 12.058 3.528 ( 8.410 0.428 0.000) 8.421 3.704 ( 3.629 1.888 0.000) 4.091 3.781 ( 0.191 6.585 0.000) 6.587 3.876 ( 8.174 -4.335 0.000) 9.252 3.967 ( 3.189 -5.942 0.000) 6.744 3.980 ( 1.729 -0.964 0.000) 1.980 4.157 ( -0.340 -0.040 0.000) 0.342 4.263 ( 2.690 4.023 0.000) 4.839 4.345 ( 8.563 -2.216 0.000) 8.845 4.383 ( -1.546 5.012 0.000) 5.245 4.507 ( 8.043 -4.262 0.000) 9.102 4.831 ( 2.177 -3.360 0.000) 4.004 5.053 ( 3.490 -2.586 0.000) 4.344 5.223 ( 2.974 -8.118 0.000) 8.645 5.980 ( -4.721 6.263 0.000) 7.843 6.266 ( -1.434 2.834 0.000) 3.177 6.595 ( -0.172 2.310 0.000) 2.316 6.655 ( -23.226 18.521 0.000) 29.706 6.704 ( 2.122 3.157 0.000) 3.803 6.906 ( 3.420 0.828 0.000) 3.519 7.033 ( -0.361 5.692 0.000) 5.703 7.093 ( -0.105 1.828 0.000) 1.831 7.368 ( -0.569 -0.882 0.000) 1.050 7.510 ( 1.829 -8.803 0.000) 8.991 7.655 ( 0.337 -1.900 0.000) 1.929 7.725 ( -1.415 0.396 0.000) 1.469 7.748 ( -4.880 -3.551 0.000) 6.035 7.896 ( 5.383 3.256 0.000) 6.291 8.114 ( 1.733 9.318 0.000) 9.478 8.241 ( 0.437 0.848 0.000) 0.954 8.442 ( 3.280 -12.379 0.000) 12.806 8.717 ( -3.459 -3.408 0.000) 4.856 8.745 ( 5.339 -8.313 0.000) 9.880 9.050 ( 5.457 -18.958 0.000) 19.727 9.158 ( 1.856 0.659 0.000) 1.969 9.730 ( 3.356 1.261 0.000) 3.585 10.097 ( -0.594 -10.396 0.000) 10.413 10.203 ( -5.162 -1.996 0.000) 5.535 10.243 ( 0.549 1.207 0.000) 1.326 10.287 ( -1.768 -1.629 0.000) 2.404 10.442 ( 1.086 -5.573 0.000) 5.678 10.647 ( -8.071 -2.956 0.000) 8.595 11.785 ( 1.238 5.029 0.000) 5.180 12.499 ( -22.533 8.723 0.000) 24.162 12.558 ( -2.472 -2.710 0.000) 3.668 12.729 ( -6.964 10.665 0.000) 12.737 12.877 ( 4.230 -1.781 0.000) 4.589 13.424 ( -4.629 15.140 0.000) 15.832 13.877 ( -8.961 -5.108 0.000) 10.315 14.628 ( -7.869 -5.292 0.000) 9.483 14.813 ( 5.183 -0.389 0.000) 5.198 14.853 ( 0.620 -1.439 0.000) 1.566 15.386 ( 9.646 -5.837 0.000) 11.274 15.575 ( 7.522 -7.618 0.000) 10.706 15.655 ( -0.578 0.279 0.000) 0.642 15.783 ( 9.741 -1.666 0.000) 9.883 15.827 ( 9.364 2.574 0.000) 9.712 16.390 ( 0.091 -1.764 0.000) 1.767 23.668 ( 0.001 0.585 0.000) 0.585 23.722 ( -0.262 4.287 0.000) 4.295 23.866 ( 0.014 -1.279 0.000) 1.279 23.902 ( -0.455 -0.936 0.000) 1.041 23.988 ( 2.239 -1.426 0.000) 2.655 24.090 ( 0.186 -0.770 0.000) 0.792 24.548 ( -3.776 3.583 0.000) 5.205 24.776 ( -14.967 13.128 0.000) 19.909 26.316 ( -4.505 -1.046 0.000) 4.625 26.511 ( -0.319 -5.736 0.000) 5.745 26.616 ( -2.648 -3.916 0.000) 4.727 26.664 ( 2.165 4.214 0.000) 4.737 26.715 ( -0.516 -2.522 0.000) 2.575 26.850 ( 5.730 5.717 0.000) 8.094 27.300 ( 10.911 -11.361 0.000) 15.752 27.849 ( 6.062 -11.155 0.000) 12.696 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 21.754 11.854 0.000) 24.775 1.209 ( 20.248 13.756 0.000) 24.478 1.542 ( -1.384 16.320 0.000) 16.379 1.621 ( -6.465 9.853 0.000) 11.785 1.886 ( 4.161 0.711 0.000) 4.221 1.977 ( 4.108 7.958 0.000) 8.956 2.223 ( 15.877 2.974 0.000) 16.153 2.305 ( 14.053 5.505 0.000) 15.093 2.532 ( 10.092 10.874 0.000) 14.835 2.708 ( -1.588 -1.771 0.000) 2.379 2.732 ( -7.219 -3.285 0.000) 7.931 2.747 ( -4.702 -5.151 0.000) 6.975 2.872 ( 0.213 1.422 0.000) 1.438 2.891 ( 2.633 -0.540 0.000) 2.687 2.960 ( -4.062 2.336 0.000) 4.686 3.148 ( -1.327 -5.239 0.000) 5.405 3.177 ( 1.840 1.017 0.000) 2.102 3.339 ( 5.098 -0.709 0.000) 5.148 3.348 ( 3.785 -2.234 0.000) 4.395 3.388 ( 5.621 -3.247 0.000) 6.492 3.523 ( 14.575 -0.382 0.000) 14.580 3.637 ( 3.531 -4.260 0.000) 5.533 3.710 ( 3.241 1.308 0.000) 3.495 3.820 ( 8.545 -0.138 0.000) 8.546 3.890 ( 11.468 -2.816 0.000) 11.809 3.932 ( 2.132 -1.363 0.000) 2.531 4.065 ( 0.703 -1.113 0.000) 1.317 4.096 ( 11.831 -0.560 0.000) 11.844 4.152 ( 0.470 2.255 0.000) 2.304 4.340 ( -2.088 4.121 0.000) 4.620 4.405 ( 7.216 0.323 0.000) 7.223 4.587 ( 12.936 2.251 0.000) 13.130 4.609 ( 7.906 -4.983 0.000) 9.346 4.878 ( 3.496 -1.785 0.000) 3.925 5.216 ( 13.321 -2.512 0.000) 13.556 5.327 ( 7.767 -6.249 0.000) 9.969 5.893 ( -3.481 4.828 0.000) 5.952 6.228 ( -2.193 2.394 0.000) 3.247 6.368 ( -8.662 10.555 0.000) 13.654 6.592 ( -0.131 1.189 0.000) 1.196 6.738 ( 1.019 3.828 0.000) 3.962 6.989 ( 4.521 1.742 0.000) 4.845 7.023 ( -0.973 5.157 0.000) 5.248 7.095 ( 0.605 2.723 0.000) 2.789 7.352 ( -1.088 -0.929 0.000) 1.431 7.534 ( 0.460 -11.401 0.000) 11.411 7.598 ( -7.153 -2.537 0.000) 7.590 7.670 ( -4.514 1.366 0.000) 4.716 7.680 ( 0.211 -4.339 0.000) 4.344 8.019 ( 6.056 6.854 0.000) 9.146 8.149 ( 1.545 3.476 0.000) 3.804 8.240 ( -0.870 1.431 0.000) 1.675 8.496 ( 1.665 -13.011 0.000) 13.118 8.629 ( -4.934 -0.710 0.000) 4.985 8.806 ( 2.519 -1.774 0.000) 3.081 8.975 ( -10.181 -13.788 0.000) 17.139 9.204 ( 2.564 0.739 0.000) 2.669 9.759 ( 0.621 4.083 0.000) 4.130 10.018 ( -8.347 -2.200 0.000) 8.632 10.124 ( -1.304 -7.329 0.000) 7.444 10.245 ( -0.622 -0.240 0.000) 0.666 10.248 ( -1.701 -4.947 0.000) 5.231 10.431 ( -8.393 -4.472 0.000) 9.510 10.467 ( -3.263 -4.642 0.000) 5.674 11.817 ( 1.896 3.644 0.000) 4.107 12.185 ( -10.505 4.378 0.000) 11.380 12.492 ( -4.006 -2.379 0.000) 4.659 12.575 ( -7.630 11.500 0.000) 13.801 12.967 ( 3.958 -4.221 0.000) 5.786 13.307 ( -6.649 13.941 0.000) 15.446 13.689 ( -8.865 -4.511 0.000) 9.946 14.468 ( -6.985 -4.609 0.000) 8.369 14.852 ( -0.107 -0.654 0.000) 0.662 14.940 ( 6.274 -0.720 0.000) 6.315 15.340 ( -7.115 5.003 0.000) 8.698 15.642 ( -0.606 1.316 0.000) 1.449 15.763 ( 7.596 -5.738 0.000) 9.519 15.998 ( 10.725 -3.197 0.000) 11.191 16.047 ( 11.064 -0.655 0.000) 11.083 16.386 ( -0.440 -1.634 0.000) 1.692 23.670 ( 0.163 0.534 0.000) 0.558 23.716 ( -0.367 4.016 0.000) 4.033 23.865 ( -0.145 -1.314 0.000) 1.322 23.902 ( 0.396 -0.404 0.000) 0.566 24.019 ( 0.823 -1.476 0.000) 1.689 24.095 ( 0.257 -0.937 0.000) 0.971 24.449 ( -4.011 5.711 0.000) 6.979 24.636 ( -3.817 4.088 0.000) 5.593 26.232 ( -3.671 -0.322 0.000) 3.685 26.501 ( -0.573 -5.425 0.000) 5.455 26.549 ( -3.688 -2.835 0.000) 4.652 26.677 ( -2.695 -1.818 0.000) 3.251 26.702 ( 1.606 4.516 0.000) 4.793 26.980 ( 6.581 4.276 0.000) 7.849 27.275 ( -7.108 -1.446 0.000) 7.253 28.007 ( 7.369 -13.086 0.000) 15.018 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.561 13.323 0.000) 13.334 1.529 ( -0.833 8.425 0.000) 8.466 1.620 ( 18.313 7.015 0.000) 19.610 1.630 ( 19.251 9.265 0.000) 21.365 1.958 ( 2.791 0.969 0.000) 2.955 2.064 ( 4.162 7.358 0.000) 8.454 2.248 ( -3.643 1.799 0.000) 4.063 2.377 ( -5.402 -4.232 0.000) 6.862 2.473 ( -15.982 1.896 0.000) 16.094 2.621 ( -2.991 -4.589 0.000) 5.478 2.743 ( 4.962 -1.250 0.000) 5.117 2.889 ( 0.642 2.242 0.000) 2.332 2.909 ( 4.100 1.097 0.000) 4.244 2.925 ( -0.682 0.066 0.000) 0.685 3.040 ( 9.683 6.770 0.000) 11.815 3.061 ( 3.247 3.817 0.000) 5.011 3.202 ( 0.689 2.964 0.000) 3.043 3.397 ( 1.968 -2.991 0.000) 3.581 3.427 ( 3.127 -3.138 0.000) 4.430 3.539 ( 8.389 0.577 0.000) 8.409 3.610 ( -0.352 -9.596 0.000) 9.602 3.681 ( -1.920 -0.112 0.000) 1.923 3.799 ( 6.694 1.072 0.000) 6.779 3.949 ( -0.578 -2.495 0.000) 2.561 3.993 ( 1.692 0.516 0.000) 1.769 4.042 ( 4.900 -2.291 0.000) 5.410 4.089 ( 3.319 -2.158 0.000) 3.959 4.193 ( 5.039 3.878 0.000) 6.358 4.247 ( -1.084 -3.572 0.000) 3.733 4.415 ( -4.508 2.629 0.000) 5.218 4.492 ( 17.657 8.670 0.000) 19.670 4.721 ( 7.237 -1.641 0.000) 7.421 4.833 ( 4.377 -5.559 0.000) 7.075 5.059 ( 14.343 2.695 0.000) 14.594 5.495 ( 6.927 -3.562 0.000) 7.789 5.522 ( 14.518 -4.584 0.000) 15.224 5.857 ( 0.120 4.770 0.000) 4.772 6.187 ( -1.847 1.723 0.000) 2.526 6.252 ( -3.748 5.701 0.000) 6.823 6.593 ( 0.239 0.535 0.000) 0.586 6.743 ( -0.411 3.395 0.000) 3.420 7.001 ( -0.951 4.704 0.000) 4.799 7.075 ( 4.345 1.609 0.000) 4.633 7.142 ( 4.829 2.042 0.000) 5.243 7.330 ( -0.943 -0.794 0.000) 1.233 7.466 ( -5.141 -2.531 0.000) 5.731 7.495 ( -6.893 -4.488 0.000) 8.225 7.574 ( -2.242 -4.836 0.000) 5.330 7.684 ( -0.753 -4.509 0.000) 4.572 8.111 ( 3.061 11.097 0.000) 11.512 8.169 ( 0.412 -4.172 0.000) 4.192 8.192 ( -4.397 -2.331 0.000) 4.976 8.502 ( -0.568 -10.714 0.000) 10.729 8.545 ( -3.133 3.097 0.000) 4.405 8.695 ( -11.516 -9.790 0.000) 15.115 8.906 ( 3.322 4.207 0.000) 5.360 9.248 ( 1.668 0.300 0.000) 1.694 9.788 ( 2.215 4.394 0.000) 4.920 9.846 ( -7.575 0.337 0.000) 7.582 10.108 ( -0.666 -5.229 0.000) 5.271 10.197 ( -5.146 -1.957 0.000) 5.505 10.230 ( -0.194 -9.635 0.000) 9.637 10.260 ( -4.526 -3.177 0.000) 5.530 10.435 ( -1.676 -5.640 0.000) 5.884 11.853 ( 1.568 2.083 0.000) 2.608 12.046 ( -4.139 1.189 0.000) 4.307 12.415 ( -3.292 -1.687 0.000) 3.699 12.456 ( -4.100 12.120 0.000) 12.795 13.025 ( 2.150 0.510 0.000) 2.209 13.184 ( -5.364 7.289 0.000) 9.050 13.553 ( -4.694 -4.024 0.000) 6.183 14.370 ( -2.985 -4.594 0.000) 5.478 14.847 ( -0.271 -0.270 0.000) 0.382 15.042 ( 3.654 -1.817 0.000) 4.081 15.202 ( -5.775 7.437 0.000) 9.416 15.633 ( -0.230 2.719 0.000) 2.728 15.868 ( 3.334 -1.303 0.000) 3.580 16.171 ( 6.269 -3.965 0.000) 7.418 16.223 ( 6.321 -1.192 0.000) 6.433 16.375 ( -0.569 -1.596 0.000) 1.695 23.674 ( 0.276 0.462 0.000) 0.538 23.709 ( -0.280 3.772 0.000) 3.782 23.861 ( -0.251 -1.321 0.000) 1.344 23.916 ( 0.853 -0.108 0.000) 0.860 24.024 ( -0.190 -1.211 0.000) 1.226 24.099 ( 0.179 -1.111 0.000) 1.126 24.416 ( 0.566 3.660 0.000) 3.704 24.555 ( -4.591 2.327 0.000) 5.147 26.177 ( -1.890 0.005 0.000) 1.890 26.486 ( -2.465 -2.120 0.000) 3.251 26.492 ( -0.337 -5.460 0.000) 5.471 26.625 ( -2.195 -2.350 0.000) 3.216 26.726 ( 0.875 5.162 0.000) 5.235 27.086 ( 3.889 3.387 0.000) 5.157 27.142 ( -5.139 2.700 0.000) 5.805 28.114 ( 3.583 -11.304 0.000) 11.858 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.000 14.460 0.000) 14.460 1.512 ( 0.000 8.113 0.000) 8.113 1.908 ( -0.000 3.935 0.000) 3.935 1.932 ( 0.000 2.741 0.000) 2.741 1.974 ( -0.000 3.445 0.000) 3.445 2.100 ( 0.000 1.466 0.000) 1.466 2.118 ( 0.000 7.717 0.000) 7.717 2.225 ( 0.000 4.516 0.000) 4.516 2.325 ( 0.000 -5.360 0.000) 5.360 2.581 ( 0.000 -4.256 0.000) 4.256 2.844 ( -0.000 1.768 0.000) 1.768 2.894 ( 0.000 2.652 0.000) 2.652 2.906 ( 0.000 -0.268 0.000) 0.268 2.919 ( 0.000 -0.130 0.000) 0.130 2.980 ( 0.000 1.230 0.000) 1.230 3.208 ( 0.000 3.341 0.000) 3.341 3.252 ( -0.000 5.212 0.000) 5.212 3.420 ( -0.000 -2.749 0.000) 2.749 3.472 ( -0.000 -5.716 0.000) 5.716 3.602 ( -0.000 -10.850 0.000) 10.850 3.623 ( 0.000 9.969 0.000) 9.969 3.688 ( 0.000 -6.298 0.000) 6.298 3.859 ( 0.000 -0.541 0.000) 0.541 3.893 ( 0.000 5.996 0.000) 5.996 4.051 ( 0.000 -3.349 0.000) 3.349 4.090 ( 0.000 -4.336 0.000) 4.336 4.091 ( 0.000 1.243 0.000) 1.243 4.228 ( 0.000 -3.918 0.000) 3.918 4.277 ( -0.000 2.015 0.000) 2.015 4.338 ( 0.000 4.454 0.000) 4.454 4.699 ( 0.000 7.337 0.000) 7.337 4.805 ( 0.000 -3.640 0.000) 3.640 4.867 ( 0.000 -2.778 0.000) 2.778 5.245 ( 0.000 2.974 0.000) 2.974 5.547 ( 0.000 -2.066 0.000) 2.066 5.670 ( 0.000 -5.915 0.000) 5.915 5.880 ( 0.000 5.822 0.000) 5.822 6.165 ( 0.000 0.982 0.000) 0.982 6.213 ( 0.000 4.029 0.000) 4.029 6.597 ( 0.000 0.620 0.000) 0.620 6.735 ( 0.000 2.673 0.000) 2.673 6.992 ( 0.000 4.896 0.000) 4.896 7.143 ( 0.000 -0.747 0.000) 0.747 7.229 ( 0.000 -0.659 0.000) 0.659 7.321 ( 0.000 -0.692 0.000) 0.692 7.371 ( 0.000 3.330 0.000) 3.330 7.422 ( 0.000 -1.560 0.000) 1.560 7.562 ( 0.000 -9.875 0.000) 9.875 7.651 ( 0.000 -2.611 0.000) 2.611 8.119 ( 0.000 -8.961 0.000) 8.961 8.141 ( 0.000 13.583 0.000) 13.583 8.171 ( 0.000 -7.845 0.000) 7.845 8.496 ( 0.000 -10.231 0.000) 10.231 8.514 ( 0.000 4.674 0.000) 4.674 8.572 ( 0.000 -1.168 0.000) 1.168 8.947 ( 0.000 3.017 0.000) 3.017 9.265 ( 0.000 -0.123 0.000) 0.123 9.764 ( 0.000 1.282 0.000) 1.282 9.818 ( 0.000 4.572 0.000) 4.572 10.101 ( 0.000 -4.211 0.000) 4.211 10.128 ( 0.000 -1.728 0.000) 1.728 10.223 ( 0.000 -5.213 0.000) 5.213 10.230 ( 0.000 -11.355 0.000) 11.355 10.415 ( 0.000 -4.834 0.000) 4.834 11.870 ( 0.000 1.381 0.000) 1.381 12.007 ( 0.000 0.238 0.000) 0.238 12.380 ( 0.000 -1.886 0.000) 1.886 12.416 ( 0.000 12.897 0.000) 12.897 13.055 ( 0.000 14.877 0.000) 14.877 13.118 ( -0.000 -7.668 0.000) 7.668 13.507 ( 0.000 -3.848 0.000) 3.848 14.342 ( -0.000 -4.591 0.000) 4.591 14.844 ( 0.000 -0.203 0.000) 0.203 15.078 ( -0.000 -2.417 0.000) 2.417 15.141 ( 0.000 8.293 0.000) 8.293 15.632 ( 0.000 3.423 0.000) 3.423 15.900 ( 0.000 -0.086 0.000) 0.086 16.234 ( 0.000 -4.175 0.000) 4.175 16.287 ( 0.000 -1.225 0.000) 1.225 16.369 ( 0.000 -1.613 0.000) 1.613 23.678 ( -0.000 0.408 0.000) 0.408 23.706 ( 0.000 3.691 0.000) 3.691 23.858 ( -0.000 -1.311 0.000) 1.311 23.926 ( -0.000 -0.139 0.000) 0.139 24.020 ( -0.000 -1.009 0.000) 1.009 24.101 ( 0.000 -1.185 0.000) 1.185 24.454 ( 0.000 1.760 0.000) 1.760 24.476 ( -0.000 3.291 0.000) 3.291 26.158 ( 0.000 0.106 0.000) 0.106 26.460 ( 0.000 -1.867 0.000) 1.867 26.488 ( -0.000 -5.488 0.000) 5.488 26.602 ( 0.000 -2.562 0.000) 2.562 26.735 ( -0.000 5.419 0.000) 5.419 27.091 ( 0.000 3.846 0.000) 3.846 27.126 ( 0.000 3.116 0.000) 3.116 28.150 ( 0.000 -10.848 0.000) 10.848 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 23.885 0.000) 23.885 1.116 ( 0.000 27.405 0.000) 27.405 1.793 ( 0.000 -0.077 0.000) 0.077 1.818 ( 0.000 29.968 0.000) 29.968 1.998 ( 0.000 22.188 0.000) 22.188 2.004 ( 0.000 7.378 0.000) 7.378 2.193 ( 0.000 6.117 0.000) 6.117 2.420 ( 0.000 4.381 0.000) 4.381 2.423 ( 0.000 0.919 0.000) 0.919 2.570 ( 0.000 -0.805 0.000) 0.805 2.628 ( 0.000 -6.405 0.000) 6.405 2.707 ( 0.000 -4.482 0.000) 4.482 2.823 ( 0.000 -3.539 0.000) 3.539 2.836 ( 0.000 -7.141 0.000) 7.141 2.836 ( 0.000 -8.806 0.000) 8.806 2.946 ( 0.000 -6.805 0.000) 6.805 3.121 ( 0.000 4.975 0.000) 4.975 3.144 ( 0.000 -0.901 0.000) 0.901 3.249 ( 0.000 -1.107 0.000) 1.107 3.260 ( 0.000 -3.037 0.000) 3.037 3.318 ( 0.000 1.588 0.000) 1.588 3.385 ( 0.000 5.534 0.000) 5.534 3.385 ( 0.000 -3.587 0.000) 3.587 3.717 ( 0.000 0.236 0.000) 0.236 3.768 ( 0.000 -9.028 0.000) 9.028 3.771 ( 0.000 2.282 0.000) 2.282 3.903 ( 0.000 -3.925 0.000) 3.925 3.982 ( 0.000 7.000 0.000) 7.000 4.042 ( 0.000 -5.304 0.000) 5.304 4.330 ( 0.000 4.653 0.000) 4.653 4.362 ( 0.000 6.159 0.000) 6.159 4.367 ( 0.000 -0.518 0.000) 0.518 4.540 ( 0.000 8.041 0.000) 8.041 4.677 ( 0.000 -8.918 0.000) 8.918 4.945 ( 0.000 -4.830 0.000) 4.830 4.978 ( 0.000 -12.164 0.000) 12.164 6.198 ( 0.000 7.769 0.000) 7.769 6.346 ( 0.000 3.088 0.000) 3.088 6.680 ( 0.000 5.735 0.000) 5.735 6.735 ( 0.000 3.300 0.000) 3.300 6.872 ( 0.000 -0.254 0.000) 0.254 7.078 ( 0.000 3.714 0.000) 3.714 7.091 ( 0.000 -1.229 0.000) 1.229 7.202 ( 0.000 -4.235 0.000) 4.235 7.359 ( 0.000 -4.794 0.000) 4.794 7.363 ( 0.000 -1.015 0.000) 1.015 7.551 ( 0.000 -1.788 0.000) 1.788 7.746 ( 0.000 0.731 0.000) 0.731 7.777 ( 0.000 2.634 0.000) 2.634 7.846 ( 0.000 -0.845 0.000) 0.845 8.093 ( 0.000 -20.555 0.000) 20.555 8.167 ( 0.000 -7.501 0.000) 7.501 8.348 ( 0.000 13.204 0.000) 13.204 8.525 ( 0.000 11.872 0.000) 11.872 8.672 ( 0.000 -2.972 0.000) 2.972 8.954 ( 0.000 0.747 0.000) 0.747 9.156 ( 0.000 1.528 0.000) 1.528 9.725 ( 0.000 2.883 0.000) 2.883 9.816 ( 0.000 -16.538 0.000) 16.538 10.155 ( 0.000 -9.459 0.000) 9.459 10.223 ( 0.000 -1.675 0.000) 1.675 10.268 ( 0.000 -2.485 0.000) 2.485 10.406 ( 0.000 1.770 0.000) 1.770 10.643 ( 0.000 -5.015 0.000) 5.015 11.935 ( 0.000 10.359 0.000) 10.359 12.499 ( 0.000 -5.750 0.000) 5.750 12.796 ( 0.000 0.483 0.000) 0.483 12.864 ( 0.000 -3.320 0.000) 3.320 13.060 ( 0.000 14.355 0.000) 14.355 13.772 ( 0.000 15.483 0.000) 15.483 13.829 ( 0.000 -9.559 0.000) 9.559 14.559 ( 0.000 -8.095 0.000) 8.095 14.748 ( 0.000 -0.606 0.000) 0.606 14.787 ( 0.000 -3.019 0.000) 3.019 15.108 ( 0.000 3.252 0.000) 3.252 15.424 ( 0.000 -5.467 0.000) 5.467 15.661 ( 0.000 -0.316 0.000) 0.316 15.665 ( 0.000 0.023 0.000) 0.023 15.895 ( 0.000 8.762 0.000) 8.762 16.331 ( 0.000 -4.032 0.000) 4.032 23.689 ( 0.000 1.520 0.000) 1.520 23.830 ( 0.000 -1.335 0.000) 1.335 23.832 ( 0.000 4.865 0.000) 4.865 23.900 ( 0.000 -0.529 0.000) 0.529 23.933 ( 0.000 -1.065 0.000) 1.065 24.065 ( 0.000 -1.729 0.000) 1.729 24.644 ( 0.000 4.676 0.000) 4.676 25.062 ( 0.000 -6.584 0.000) 6.584 26.337 ( 0.000 -1.698 0.000) 1.698 26.400 ( 0.000 -4.593 0.000) 4.593 26.528 ( 0.000 -2.466 0.000) 2.466 26.613 ( 0.000 -3.387 0.000) 3.387 26.757 ( 0.000 6.607 0.000) 6.607 26.890 ( 0.000 3.644 0.000) 3.644 27.166 ( 0.000 10.166 0.000) 10.166 27.671 ( 0.000 -7.900 0.000) 7.900 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 10.094 20.749 0.000) 23.073 1.284 ( 12.894 23.460 0.000) 26.770 1.820 ( 2.565 -0.104 0.000) 2.567 1.961 ( 0.922 14.247 0.000) 14.277 1.977 ( -1.667 21.810 0.000) 21.873 1.999 ( 8.170 13.168 0.000) 15.497 2.166 ( 0.295 7.728 0.000) 7.733 2.303 ( -0.943 2.999 0.000) 3.144 2.600 ( 8.180 2.769 0.000) 8.636 2.650 ( 5.128 -2.365 0.000) 5.647 2.653 ( -1.874 -7.068 0.000) 7.313 2.714 ( 1.964 1.561 0.000) 2.509 2.773 ( -0.312 -4.391 0.000) 4.402 2.823 ( 1.426 -4.101 0.000) 4.342 2.958 ( 8.767 -7.091 0.000) 11.276 2.994 ( 3.724 -6.397 0.000) 7.402 3.160 ( -2.035 1.514 0.000) 2.536 3.188 ( 5.585 2.560 0.000) 6.144 3.256 ( 3.945 3.826 0.000) 5.495 3.267 ( 1.737 -0.840 0.000) 1.929 3.405 ( 6.569 -0.822 0.000) 6.620 3.422 ( 4.580 1.264 0.000) 4.752 3.491 ( 9.146 -4.217 0.000) 10.072 3.679 ( 0.784 -4.495 0.000) 4.563 3.821 ( 2.147 -0.436 0.000) 2.191 3.851 ( 5.721 -5.660 0.000) 8.048 3.901 ( 3.444 2.647 0.000) 4.344 3.959 ( 0.146 0.847 0.000) 0.859 4.136 ( 5.277 -2.362 0.000) 5.782 4.335 ( 1.771 3.120 0.000) 3.587 4.386 ( 5.496 6.272 0.000) 8.339 4.473 ( 6.751 -1.022 0.000) 6.828 4.511 ( -2.337 8.013 0.000) 8.347 4.706 ( 2.469 -9.373 0.000) 9.692 4.982 ( 4.181 -4.650 0.000) 6.253 5.019 ( 4.397 -11.475 0.000) 12.289 6.124 ( -5.871 7.512 0.000) 9.534 6.325 ( -2.131 2.417 0.000) 3.222 6.662 ( -1.744 4.392 0.000) 4.725 6.783 ( 3.630 4.368 0.000) 5.679 6.847 ( -17.165 3.356 0.000) 17.490 6.924 ( 4.615 0.656 0.000) 4.662 7.131 ( 2.064 2.953 0.000) 3.603 7.160 ( -1.066 4.388 0.000) 4.515 7.329 ( -1.203 -3.327 0.000) 3.538 7.378 ( -0.151 -3.623 0.000) 3.626 7.582 ( 0.043 -5.398 0.000) 5.398 7.722 ( -5.582 2.787 0.000) 6.239 7.739 ( -0.819 0.903 0.000) 1.219 7.897 ( 4.312 -2.627 0.000) 5.049 8.101 ( 1.039 -19.857 0.000) 19.884 8.192 ( 2.747 -7.339 0.000) 7.837 8.351 ( 0.313 13.183 0.000) 13.187 8.635 ( 6.955 4.740 0.000) 8.417 8.664 ( -0.743 -1.165 0.000) 1.382 8.965 ( 0.424 0.619 0.000) 0.750 9.172 ( 1.488 0.975 0.000) 1.779 9.749 ( 1.991 1.007 0.000) 2.231 9.818 ( 0.134 -16.761 0.000) 16.761 10.160 ( 0.345 -10.876 0.000) 10.881 10.169 ( -5.202 -1.276 0.000) 5.356 10.239 ( -2.787 -2.775 0.000) 3.933 10.380 ( -2.425 1.129 0.000) 2.675 10.571 ( -6.961 -4.287 0.000) 8.175 11.936 ( 0.130 9.780 0.000) 9.781 12.477 ( -2.172 -5.549 0.000) 5.959 12.625 ( -15.850 5.007 0.000) 16.621 12.842 ( 0.943 -2.083 0.000) 2.286 12.988 ( -6.554 14.377 0.000) 15.801 13.715 ( -5.167 14.480 0.000) 15.374 13.734 ( -8.267 -9.069 0.000) 12.272 14.485 ( -7.237 -9.097 0.000) 11.625 14.800 ( 4.097 -0.907 0.000) 4.196 14.818 ( 2.984 -1.832 0.000) 3.501 15.314 ( 16.058 -0.560 0.000) 16.068 15.493 ( 4.858 -3.333 0.000) 5.892 15.664 ( 0.494 0.680 0.000) 0.840 15.746 ( 7.363 -1.898 0.000) 7.604 15.922 ( 3.639 6.757 0.000) 7.675 16.331 ( -0.033 -4.196 0.000) 4.196 23.688 ( -0.034 1.506 0.000) 1.506 23.827 ( -0.463 5.673 0.000) 5.692 23.830 ( -0.023 -2.228 0.000) 2.228 23.893 ( -0.145 -0.058 0.000) 0.156 23.956 ( 1.615 -1.724 0.000) 2.362 24.065 ( 0.006 -1.848 0.000) 1.848 24.623 ( -2.257 4.465 0.000) 5.004 24.901 ( -11.876 0.377 0.000) 11.882 26.295 ( -3.396 -0.899 0.000) 3.513 26.399 ( -0.415 -5.028 0.000) 5.045 26.532 ( -1.184 -3.587 0.000) 3.778 26.627 ( 0.490 -5.162 0.000) 5.185 26.780 ( 2.014 6.652 0.000) 6.950 26.942 ( 4.717 3.151 0.000) 5.672 27.256 ( 5.974 4.326 0.000) 7.376 27.672 ( 1.436 -7.867 0.000) 7.997 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 14.753 14.372 0.000) 20.597 1.537 ( 12.778 18.219 0.000) 22.254 1.829 ( -6.943 10.251 0.000) 12.381 1.876 ( 2.259 3.867 0.000) 4.478 1.958 ( 0.550 17.832 0.000) 17.840 2.140 ( 3.983 6.968 0.000) 8.026 2.251 ( 1.358 0.761 0.000) 1.556 2.434 ( 11.416 5.794 0.000) 12.802 2.543 ( -6.054 -7.164 0.000) 9.379 2.644 ( -4.092 -2.674 0.000) 4.888 2.676 ( -3.296 -2.576 0.000) 4.184 2.761 ( 7.627 -0.897 0.000) 7.679 2.871 ( 2.885 -1.114 0.000) 3.093 3.004 ( 14.899 6.604 0.000) 16.297 3.016 ( -4.211 2.102 0.000) 4.707 3.058 ( 3.180 -2.416 0.000) 3.994 3.140 ( 4.638 -3.949 0.000) 6.091 3.310 ( 5.912 1.161 0.000) 6.025 3.313 ( 3.914 0.188 0.000) 3.918 3.356 ( -0.392 1.116 0.000) 1.183 3.457 ( 0.523 -3.350 0.000) 3.390 3.627 ( 15.546 2.716 0.000) 15.781 3.677 ( 8.504 -6.232 0.000) 10.543 3.795 ( 7.117 -6.004 0.000) 9.311 3.819 ( -1.860 3.829 0.000) 4.257 3.983 ( 4.919 2.820 0.000) 5.670 4.020 ( 11.472 -6.900 0.000) 13.387 4.026 ( 3.525 -1.772 0.000) 3.945 4.212 ( 3.091 2.819 0.000) 4.183 4.423 ( 6.316 1.509 0.000) 6.494 4.496 ( 3.044 10.887 0.000) 11.304 4.563 ( 8.289 1.939 0.000) 8.513 4.608 ( 6.674 -1.276 0.000) 6.795 4.799 ( 10.383 -5.998 0.000) 11.991 5.132 ( 11.217 -6.207 0.000) 12.820 5.164 ( 10.506 -9.749 0.000) 14.332 6.019 ( -4.083 7.344 0.000) 8.403 6.272 ( -3.012 1.278 0.000) 3.272 6.545 ( -12.088 6.402 0.000) 13.679 6.621 ( -2.340 1.499 0.000) 2.780 6.840 ( 1.731 6.131 0.000) 6.371 7.025 ( 4.887 1.397 0.000) 5.083 7.140 ( -1.408 6.194 0.000) 6.352 7.175 ( 2.163 4.272 0.000) 4.789 7.314 ( -0.571 -3.775 0.000) 3.817 7.360 ( -1.473 -4.808 0.000) 5.029 7.525 ( -5.834 -6.359 0.000) 8.630 7.616 ( -3.358 1.287 0.000) 3.597 7.706 ( -2.826 2.008 0.000) 3.467 7.974 ( 2.631 -6.812 0.000) 7.302 8.108 ( -1.509 -17.481 0.000) 17.546 8.243 ( 1.680 -9.377 0.000) 9.527 8.362 ( 1.017 13.719 0.000) 13.757 8.648 ( -0.834 2.686 0.000) 2.813 8.714 ( 0.698 3.395 0.000) 3.466 8.964 ( 0.276 3.314 0.000) 3.326 9.206 ( 1.643 -0.551 0.000) 1.733 9.781 ( 1.144 -0.997 0.000) 1.518 9.821 ( 0.201 -17.141 0.000) 17.142 10.034 ( -7.792 -0.346 0.000) 7.800 10.157 ( -0.995 -12.864 0.000) 12.903 10.169 ( -3.879 -3.413 0.000) 5.167 10.318 ( -4.016 -0.786 0.000) 4.092 10.399 ( -9.020 -2.718 0.000) 9.420 11.940 ( 0.221 8.339 0.000) 8.342 12.337 ( -11.839 9.887 0.000) 15.424 12.419 ( -3.451 -4.989 0.000) 6.066 12.844 ( -6.976 14.607 0.000) 16.187 12.869 ( 1.452 -6.125 0.000) 6.294 13.562 ( -8.129 -8.212 0.000) 11.555 13.587 ( -7.424 14.111 0.000) 15.945 14.335 ( -6.799 -8.739 0.000) 11.072 14.840 ( 0.840 -0.358 0.000) 0.913 14.916 ( 5.087 -1.748 0.000) 5.379 15.461 ( -1.626 6.414 0.000) 6.617 15.666 ( 11.767 -3.518 0.000) 12.282 15.681 ( 1.258 2.625 0.000) 2.911 15.918 ( 9.010 -4.554 0.000) 10.096 16.050 ( 8.237 1.259 0.000) 8.333 16.326 ( -0.459 -4.396 0.000) 4.420 23.689 ( 0.068 1.433 0.000) 1.434 23.815 ( -0.607 5.557 0.000) 5.590 23.828 ( -0.169 -2.276 0.000) 2.282 23.900 ( 0.731 0.261 0.000) 0.777 23.983 ( 0.940 -2.020 0.000) 2.227 24.065 ( -0.004 -2.133 0.000) 2.133 24.554 ( -4.122 4.846 0.000) 6.362 24.712 ( -6.952 2.339 0.000) 7.335 26.228 ( -3.029 0.076 0.000) 3.030 26.385 ( -0.799 -5.595 0.000) 5.652 26.488 ( -2.715 -2.757 0.000) 3.869 26.604 ( -2.421 -5.168 0.000) 5.707 26.825 ( 2.279 7.236 0.000) 7.587 27.049 ( 5.479 2.081 0.000) 5.861 27.291 ( -2.105 3.559 0.000) 4.135 27.757 ( 5.912 -11.234 0.000) 12.694 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -1.763 10.211 0.000) 10.362 1.731 ( 9.804 9.270 0.000) 13.493 1.806 ( 12.087 10.909 0.000) 16.282 1.913 ( 3.650 11.468 0.000) 12.035 2.008 ( 3.979 9.412 0.000) 10.218 2.210 ( 2.598 2.884 0.000) 3.881 2.250 ( -1.789 -1.891 0.000) 2.603 2.353 ( -7.965 4.094 0.000) 8.956 2.526 ( -10.789 3.051 0.000) 11.212 2.551 ( -3.298 -0.962 0.000) 3.436 2.693 ( 9.193 -2.479 0.000) 9.522 2.910 ( 6.660 -1.637 0.000) 6.858 2.910 ( 0.683 -0.234 0.000) 0.722 2.962 ( -0.485 3.734 0.000) 3.766 2.991 ( -5.273 -2.741 0.000) 5.943 3.244 ( 5.059 -2.219 0.000) 5.524 3.309 ( 9.188 0.921 0.000) 9.234 3.323 ( -1.510 -3.643 0.000) 3.943 3.393 ( 4.865 -0.919 0.000) 4.951 3.428 ( -2.768 -5.290 0.000) 5.970 3.434 ( 4.131 2.156 0.000) 4.659 3.771 ( -1.198 3.748 0.000) 3.935 3.800 ( 2.060 -2.527 0.000) 3.261 3.844 ( 9.321 -1.707 0.000) 9.476 3.980 ( 10.032 -2.422 0.000) 10.321 4.016 ( -1.584 -2.777 0.000) 3.197 4.084 ( 1.011 2.147 0.000) 2.373 4.153 ( 1.160 -5.220 0.000) 5.348 4.284 ( 3.814 4.905 0.000) 6.214 4.478 ( -2.215 3.375 0.000) 4.037 4.683 ( 5.561 -0.932 0.000) 5.638 4.703 ( 15.026 11.892 0.000) 19.162 4.725 ( 5.761 -4.975 0.000) 7.612 5.112 ( 16.971 2.346 0.000) 17.132 5.388 ( 12.361 -8.736 0.000) 15.136 5.400 ( 10.583 -5.947 0.000) 12.140 5.981 ( 0.514 7.063 0.000) 7.082 6.213 ( -2.843 0.486 0.000) 2.884 6.368 ( -6.081 5.432 0.000) 8.153 6.592 ( -0.305 -1.035 0.000) 1.079 6.846 ( -0.899 6.794 0.000) 6.854 7.097 ( 2.332 0.224 0.000) 2.343 7.112 ( -0.780 6.178 0.000) 6.227 7.209 ( 1.297 3.987 0.000) 4.192 7.303 ( -0.487 -3.236 0.000) 3.272 7.327 ( -1.742 -5.513 0.000) 5.782 7.410 ( -4.393 -3.127 0.000) 5.392 7.583 ( -0.518 -4.298 0.000) 4.329 7.627 ( -4.579 4.501 0.000) 6.421 7.994 ( -0.140 -9.366 0.000) 9.367 8.000 ( -9.373 -14.251 0.000) 17.057 8.255 ( 0.060 -12.536 0.000) 12.536 8.393 ( 1.884 14.345 0.000) 14.468 8.631 ( -0.845 5.338 0.000) 5.404 8.694 ( -1.361 8.236 0.000) 8.347 8.992 ( 1.961 4.154 0.000) 4.594 9.228 ( 0.547 -2.393 0.000) 2.455 9.810 ( 2.047 -2.266 0.000) 3.053 9.824 ( -0.014 -14.186 0.000) 14.186 9.894 ( -5.501 -2.318 0.000) 5.969 10.104 ( -2.421 -4.038 0.000) 4.708 10.112 ( -3.352 -12.613 0.000) 13.051 10.191 ( -6.687 0.360 0.000) 6.697 10.299 ( -2.045 -4.546 0.000) 4.985 11.945 ( 0.298 6.812 0.000) 6.819 12.169 ( -5.366 10.436 0.000) 11.735 12.353 ( -2.821 -4.274 0.000) 5.121 12.737 ( -3.670 14.841 0.000) 15.288 12.897 ( 1.362 -10.139 0.000) 10.230 13.437 ( -4.276 -7.587 0.000) 8.708 13.446 ( -6.130 15.314 0.000) 16.495 14.236 ( -3.168 -8.892 0.000) 9.440 14.847 ( 0.014 0.414 0.000) 0.414 14.991 ( 2.462 -3.147 0.000) 3.996 15.398 ( -3.221 11.675 0.000) 12.111 15.709 ( 1.300 4.722 0.000) 4.898 15.841 ( 5.729 -1.541 0.000) 5.933 16.068 ( 5.565 -6.117 0.000) 8.270 16.196 ( 5.644 -1.406 0.000) 5.817 16.316 ( -0.543 -4.382 0.000) 4.415 23.691 ( 0.158 1.289 0.000) 1.299 23.805 ( -0.428 5.469 0.000) 5.485 23.824 ( -0.219 -2.275 0.000) 2.285 23.917 ( 0.849 0.314 0.000) 0.905 23.993 ( 0.161 -1.771 0.000) 1.778 24.065 ( -0.008 -2.416 0.000) 2.416 24.497 ( -1.185 4.065 0.000) 4.234 24.602 ( -4.613 1.840 0.000) 4.967 26.182 ( -1.596 0.634 0.000) 1.718 26.372 ( -0.475 -5.958 0.000) 5.977 26.440 ( -1.900 -2.030 0.000) 2.780 26.554 ( -2.162 -4.550 0.000) 5.038 26.862 ( 1.399 7.958 0.000) 8.080 27.139 ( 3.324 1.249 0.000) 3.551 27.233 ( -2.719 6.453 0.000) 7.003 27.854 ( 3.428 -13.671 0.000) 14.094 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 9.831 0.000) 9.831 1.803 ( -0.000 12.905 0.000) 12.905 1.981 ( 0.000 1.777 0.000) 1.777 2.013 ( -0.000 6.046 0.000) 6.046 2.102 ( -0.000 10.761 0.000) 10.761 2.130 ( 0.000 -0.286 0.000) 0.286 2.233 ( 0.000 -3.421 0.000) 3.421 2.305 ( -0.000 10.247 0.000) 10.247 2.356 ( 0.000 8.144 0.000) 8.144 2.510 ( 0.000 -0.292 0.000) 0.292 2.852 ( -0.000 -3.918 0.000) 3.918 2.865 ( 0.000 -0.121 0.000) 0.121 2.912 ( 0.000 -0.543 0.000) 0.543 2.965 ( -0.000 4.266 0.000) 4.266 2.988 ( -0.000 -1.294 0.000) 1.294 3.292 ( 0.000 2.437 0.000) 2.437 3.341 ( 0.000 -5.154 0.000) 5.154 3.369 ( -0.000 -9.230 0.000) 9.230 3.407 ( 0.000 -2.196 0.000) 2.196 3.427 ( -0.000 10.926 0.000) 10.926 3.463 ( -0.000 -12.510 0.000) 12.510 3.779 ( 0.000 2.766 0.000) 2.766 3.813 ( 0.000 -4.996 0.000) 4.996 3.987 ( 0.000 -2.491 0.000) 2.491 4.010 ( 0.000 1.023 0.000) 1.023 4.040 ( 0.000 3.592 0.000) 3.592 4.097 ( 0.000 -0.293 0.000) 0.293 4.137 ( 0.000 -4.091 0.000) 4.091 4.327 ( -0.000 2.932 0.000) 2.932 4.430 ( 0.000 3.725 0.000) 3.725 4.736 ( 0.000 -1.994 0.000) 1.994 4.799 ( 0.000 -3.160 0.000) 3.160 4.885 ( 0.000 10.607 0.000) 10.607 5.328 ( -0.000 4.486 0.000) 4.486 5.491 ( 0.000 -3.273 0.000) 3.273 5.521 ( 0.000 -9.104 0.000) 9.104 6.010 ( -0.000 6.614 0.000) 6.614 6.174 ( 0.000 -0.175 0.000) 0.175 6.304 ( 0.000 4.923 0.000) 4.923 6.595 ( 0.000 -1.328 0.000) 1.328 6.830 ( 0.000 6.715 0.000) 6.715 7.113 ( 0.000 6.556 0.000) 6.556 7.119 ( 0.000 -1.721 0.000) 1.721 7.226 ( 0.000 0.579 0.000) 0.579 7.301 ( -0.000 -1.413 0.000) 1.413 7.301 ( 0.000 -6.159 0.000) 6.159 7.372 ( 0.000 -3.202 0.000) 3.202 7.571 ( 0.000 6.178 0.000) 6.178 7.581 ( 0.000 -5.441 0.000) 5.441 7.859 ( 0.000 -11.687 0.000) 11.687 7.990 ( 0.000 -9.828 0.000) 9.828 8.256 ( 0.000 -13.194 0.000) 13.194 8.417 ( 0.000 14.640 0.000) 14.640 8.620 ( 0.000 5.886 0.000) 5.886 8.681 ( 0.000 10.442 0.000) 10.442 9.015 ( 0.000 3.613 0.000) 3.613 9.232 ( 0.000 -3.208 0.000) 3.208 9.817 ( 0.000 3.923 0.000) 3.923 9.841 ( -0.000 -2.969 0.000) 2.969 9.844 ( 0.000 -19.879 0.000) 19.879 10.064 ( 0.000 -12.124 0.000) 12.124 10.080 ( 0.000 -4.280 0.000) 4.280 10.122 ( 0.000 1.566 0.000) 1.566 10.280 ( 0.000 -5.892 0.000) 5.892 11.949 ( 0.000 6.138 0.000) 6.138 12.117 ( 0.000 10.304 0.000) 10.304 12.323 ( 0.000 -3.915 0.000) 3.915 12.701 ( 0.000 14.903 0.000) 14.903 12.913 ( 0.000 -12.387 0.000) 12.387 13.378 ( 0.000 16.716 0.000) 16.716 13.395 ( 0.000 -7.364 0.000) 7.364 14.206 ( -0.000 -9.139 0.000) 9.139 14.846 ( 0.000 0.602 0.000) 0.602 15.015 ( -0.000 -3.781 0.000) 3.781 15.363 ( -0.000 13.410 0.000) 13.410 15.723 ( 0.000 5.584 0.000) 5.584 15.896 ( 0.000 -0.717 0.000) 0.717 16.124 ( 0.000 -6.578 0.000) 6.578 16.253 ( 0.000 -2.015 0.000) 2.015 16.309 ( 0.000 -4.295 0.000) 4.295 23.693 ( -0.000 1.201 0.000) 1.201 23.800 ( 0.000 5.389 0.000) 5.389 23.822 ( -0.000 -2.200 0.000) 2.200 23.927 ( -0.000 0.242 0.000) 0.242 23.993 ( -0.000 -1.542 0.000) 1.542 24.065 ( 0.000 -2.533 0.000) 2.533 24.499 ( 0.000 2.565 0.000) 2.565 24.542 ( -0.000 2.698 0.000) 2.698 26.166 ( 0.000 0.817 0.000) 0.817 26.368 ( 0.000 -6.077 0.000) 6.077 26.421 ( 0.000 -1.747 0.000) 1.747 26.531 ( 0.000 -4.292 0.000) 4.292 26.876 ( 0.000 8.258 0.000) 8.258 27.173 ( 0.000 0.961 0.000) 0.961 27.204 ( 0.000 7.537 0.000) 7.537 27.888 ( 0.000 -14.348 0.000) 14.348 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 16.465 0.000) 16.465 1.634 ( 0.000 24.356 0.000) 24.356 1.736 ( 0.000 -6.699 0.000) 6.699 2.022 ( 0.000 -11.042 0.000) 11.042 2.216 ( 0.000 12.105 0.000) 12.105 2.284 ( 0.000 2.471 0.000) 2.471 2.334 ( 0.000 -1.692 0.000) 1.692 2.402 ( 0.000 17.049 0.000) 17.049 2.415 ( 0.000 -3.880 0.000) 3.880 2.558 ( 0.000 -0.123 0.000) 0.123 2.613 ( 0.000 -0.180 0.000) 0.180 2.640 ( 0.000 -2.294 0.000) 2.294 2.682 ( 0.000 -5.699 0.000) 5.699 2.717 ( 0.000 -7.665 0.000) 7.665 2.730 ( 0.000 -0.865 0.000) 0.865 2.815 ( 0.000 -6.612 0.000) 6.612 3.142 ( 0.000 1.154 0.000) 1.154 3.188 ( 0.000 -3.239 0.000) 3.239 3.235 ( 0.000 2.788 0.000) 2.788 3.306 ( 0.000 -4.107 0.000) 4.107 3.388 ( 0.000 4.598 0.000) 4.598 3.457 ( 0.000 22.718 0.000) 22.718 3.461 ( 0.000 -0.117 0.000) 0.117 3.634 ( 0.000 -1.926 0.000) 1.926 3.681 ( 0.000 -3.532 0.000) 3.532 3.809 ( 0.000 1.560 0.000) 1.560 3.835 ( 0.000 -4.782 0.000) 4.782 3.867 ( 0.000 -12.140 0.000) 12.140 4.118 ( 0.000 7.285 0.000) 7.285 4.281 ( 0.000 -8.190 0.000) 8.190 4.413 ( 0.000 3.966 0.000) 3.966 4.505 ( 0.000 -6.345 0.000) 6.345 4.529 ( 0.000 10.055 0.000) 10.055 4.701 ( 0.000 7.823 0.000) 7.823 4.743 ( 0.000 -11.365 0.000) 11.365 4.839 ( 0.000 -6.069 0.000) 6.069 6.324 ( 0.000 4.706 0.000) 4.706 6.377 ( 0.000 -0.470 0.000) 0.470 6.800 ( 0.000 3.102 0.000) 3.102 6.820 ( 0.000 8.153 0.000) 8.153 6.852 ( 0.000 -1.923 0.000) 1.923 6.987 ( 0.000 -8.112 0.000) 8.112 7.141 ( 0.000 2.468 0.000) 2.468 7.168 ( 0.000 -0.407 0.000) 0.407 7.311 ( 0.000 -0.135 0.000) 0.135 7.334 ( 0.000 -1.807 0.000) 1.807 7.568 ( 0.000 4.192 0.000) 4.192 7.743 ( 0.000 -13.683 0.000) 13.683 7.767 ( 0.000 1.431 0.000) 1.431 7.807 ( 0.000 -2.528 0.000) 2.528 7.865 ( 0.000 6.178 0.000) 6.178 8.010 ( 0.000 -8.050 0.000) 8.050 8.570 ( 0.000 7.777 0.000) 7.777 8.643 ( 0.000 -0.944 0.000) 0.944 8.759 ( 0.000 10.919 0.000) 10.919 8.921 ( 0.000 -4.760 0.000) 4.760 9.234 ( 0.000 7.772 0.000) 7.772 9.481 ( 0.000 -16.098 0.000) 16.098 9.798 ( 0.000 5.016 0.000) 5.016 9.945 ( 0.000 -9.908 0.000) 9.908 10.204 ( 0.000 -0.032 0.000) 0.032 10.223 ( 0.000 -1.790 0.000) 1.790 10.463 ( 0.000 3.586 0.000) 3.586 10.545 ( 0.000 -4.651 0.000) 4.651 12.154 ( 0.000 11.106 0.000) 11.106 12.355 ( 0.000 -8.828 0.000) 8.828 12.806 ( 0.000 0.554 0.000) 0.554 12.822 ( 0.000 -1.225 0.000) 1.225 13.347 ( 0.000 14.138 0.000) 14.138 13.610 ( 0.000 -12.345 0.000) 12.345 14.077 ( 0.000 15.023 0.000) 15.023 14.353 ( 0.000 -12.490 0.000) 12.490 14.735 ( 0.000 -0.401 0.000) 0.401 14.742 ( 0.000 -1.282 0.000) 1.282 15.195 ( 0.000 5.307 0.000) 5.307 15.309 ( 0.000 -5.986 0.000) 5.986 15.660 ( 0.000 0.145 0.000) 0.145 15.664 ( 0.000 -0.172 0.000) 0.172 16.071 ( 0.000 8.660 0.000) 8.660 16.225 ( 0.000 -6.648 0.000) 6.648 23.728 ( 0.000 2.403 0.000) 2.403 23.780 ( 0.000 -2.699 0.000) 2.699 23.898 ( 0.000 0.334 0.000) 0.334 23.912 ( 0.000 -0.989 0.000) 0.989 23.938 ( 0.000 4.786 0.000) 4.786 24.017 ( 0.000 -3.157 0.000) 3.157 24.760 ( 0.000 7.019 0.000) 7.019 24.913 ( 0.000 -8.056 0.000) 8.056 26.316 ( 0.000 -0.248 0.000) 0.248 26.333 ( 0.000 -2.099 0.000) 2.099 26.511 ( 0.000 0.680 0.000) 0.680 26.548 ( 0.000 -2.839 0.000) 2.839 26.872 ( 0.000 4.532 0.000) 4.532 26.923 ( 0.000 -0.456 0.000) 0.456 27.353 ( 0.000 8.695 0.000) 8.695 27.515 ( 0.000 -7.839 0.000) 7.839 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 5.704 14.624 0.000) 15.697 1.739 ( 8.551 21.785 0.000) 23.403 1.768 ( 3.180 -5.940 0.000) 6.738 2.071 ( 3.368 -5.706 0.000) 6.626 2.185 ( -7.425 1.396 0.000) 7.555 2.249 ( 0.412 -2.755 0.000) 2.786 2.309 ( 2.891 9.318 0.000) 9.756 2.376 ( -1.756 16.990 0.000) 17.081 2.508 ( 4.188 -8.733 0.000) 9.686 2.594 ( 1.425 -4.750 0.000) 4.959 2.605 ( 1.581 3.839 0.000) 4.151 2.697 ( 0.651 -2.700 0.000) 2.778 2.740 ( 5.973 -1.748 0.000) 6.223 2.765 ( 6.700 0.262 0.000) 6.705 2.816 ( 7.820 -7.301 0.000) 10.699 2.860 ( 4.282 -6.741 0.000) 7.986 3.200 ( 1.991 2.675 0.000) 3.334 3.262 ( 4.507 -2.994 0.000) 5.411 3.272 ( 3.353 3.001 0.000) 4.500 3.352 ( 3.645 -3.263 0.000) 4.892 3.411 ( 6.855 3.833 0.000) 7.854 3.486 ( 3.528 -0.785 0.000) 3.615 3.536 ( 7.775 20.233 0.000) 21.676 3.608 ( 0.138 1.712 0.000) 1.718 3.725 ( 2.950 -7.091 0.000) 7.680 3.844 ( 3.138 2.005 0.000) 3.724 3.874 ( 3.986 -4.928 0.000) 6.338 3.909 ( 3.740 -9.046 0.000) 9.788 4.162 ( 4.817 7.352 0.000) 8.789 4.349 ( 6.940 -7.735 0.000) 10.392 4.424 ( 2.028 2.429 0.000) 3.164 4.513 ( 0.613 -6.996 0.000) 7.023 4.577 ( 4.725 10.239 0.000) 11.277 4.690 ( -0.330 9.464 0.000) 9.470 4.793 ( 5.110 -11.245 0.000) 12.352 4.863 ( 2.659 -7.539 0.000) 7.995 6.258 ( -5.239 5.665 0.000) 7.716 6.335 ( -3.673 -1.769 0.000) 4.077 6.761 ( -5.317 5.208 0.000) 7.443 6.846 ( -10.876 -2.792 0.000) 11.229 6.865 ( 5.287 3.690 0.000) 6.447 6.918 ( 5.624 -1.477 0.000) 5.814 7.181 ( 2.725 2.222 0.000) 3.516 7.209 ( 2.677 0.183 0.000) 2.683 7.291 ( -1.580 0.281 0.000) 1.605 7.326 ( -0.973 -2.487 0.000) 2.670 7.539 ( -3.162 3.031 0.000) 4.380 7.708 ( -3.708 -11.826 0.000) 12.394 7.764 ( -0.264 1.870 0.000) 1.888 7.822 ( 1.127 -3.951 0.000) 4.109 7.869 ( 0.737 4.970 0.000) 5.024 8.026 ( 1.509 -8.836 0.000) 8.964 8.581 ( 1.135 8.525 0.000) 8.601 8.662 ( 1.763 -0.435 0.000) 1.815 8.807 ( 3.910 9.680 0.000) 10.440 8.947 ( 2.266 -3.628 0.000) 4.278 9.235 ( -0.026 7.053 0.000) 7.053 9.477 ( -0.432 -16.280 0.000) 16.285 9.788 ( -0.923 3.667 0.000) 3.781 9.926 ( -1.759 -10.453 0.000) 10.600 10.161 ( -4.200 0.534 0.000) 4.234 10.188 ( -3.308 -2.161 0.000) 3.951 10.425 ( -3.636 2.839 0.000) 4.613 10.490 ( -5.328 -3.729 0.000) 6.504 12.145 ( -0.895 10.634 0.000) 10.672 12.337 ( -1.664 -8.508 0.000) 8.669 12.714 ( -8.312 4.147 0.000) 9.289 12.789 ( -2.859 -3.314 0.000) 4.377 13.271 ( -6.749 13.820 0.000) 15.380 13.526 ( -7.414 -11.825 0.000) 13.957 14.002 ( -6.375 14.325 0.000) 15.679 14.270 ( -7.078 -12.439 0.000) 14.312 14.784 ( 3.684 -0.417 0.000) 3.708 14.790 ( 4.325 -0.945 0.000) 4.426 15.345 ( 12.818 3.117 0.000) 13.192 15.419 ( 9.098 -4.032 0.000) 9.952 15.683 ( 2.255 1.225 0.000) 2.566 15.711 ( 4.602 -1.617 0.000) 4.878 16.074 ( 0.566 8.059 0.000) 8.079 16.223 ( -0.177 -6.653 0.000) 6.655 23.728 ( -0.062 2.400 0.000) 2.401 23.779 ( -0.063 -2.714 0.000) 2.715 23.900 ( 0.392 0.799 0.000) 0.890 23.924 ( 0.974 -1.484 0.000) 1.776 23.934 ( -0.441 4.857 0.000) 4.877 24.015 ( -0.239 -3.290 0.000) 3.298 24.727 ( -3.222 5.884 0.000) 6.709 24.842 ( -6.216 -5.225 0.000) 8.120 26.289 ( -2.269 0.520 0.000) 2.328 26.321 ( -1.237 -2.778 0.000) 3.041 26.498 ( -1.393 0.258 0.000) 1.417 26.538 ( -1.087 -3.517 0.000) 3.682 26.901 ( 2.648 5.039 0.000) 5.692 26.964 ( 3.694 -1.079 0.000) 3.849 27.381 ( 2.036 7.158 0.000) 7.442 27.524 ( 1.101 -7.276 0.000) 7.359 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 8.797 10.223 0.000) 13.487 1.853 ( 5.053 -3.941 0.000) 6.409 1.899 ( 6.983 17.541 0.000) 18.879 2.014 ( -6.322 8.477 0.000) 10.575 2.139 ( -0.466 -5.665 0.000) 5.684 2.224 ( -0.930 -11.068 0.000) 11.107 2.348 ( -1.000 17.363 0.000) 17.392 2.425 ( 5.945 5.385 0.000) 8.021 2.543 ( 0.803 -2.113 0.000) 2.260 2.595 ( -1.236 -7.319 0.000) 7.423 2.653 ( 2.154 5.217 0.000) 5.644 2.749 ( 5.530 -0.082 0.000) 5.530 2.865 ( 5.594 1.999 0.000) 5.940 2.904 ( 4.785 -4.995 0.000) 6.917 2.960 ( 5.931 -6.284 0.000) 8.641 2.969 ( 6.696 -7.906 0.000) 10.361 3.148 ( -4.031 4.317 0.000) 5.906 3.263 ( -3.413 -6.875 0.000) 7.675 3.349 ( 4.184 3.890 0.000) 5.713 3.436 ( 4.903 -2.550 0.000) 5.527 3.527 ( -0.601 6.769 0.000) 6.796 3.664 ( 5.207 -6.612 0.000) 8.416 3.716 ( 14.669 5.719 0.000) 15.744 3.719 ( 9.453 14.693 0.000) 17.471 3.860 ( 12.611 -8.289 0.000) 15.092 3.895 ( 0.591 3.356 0.000) 3.408 3.949 ( 1.844 -4.075 0.000) 4.473 3.985 ( 4.593 -6.392 0.000) 7.871 4.308 ( 7.079 8.836 0.000) 11.321 4.479 ( 8.933 3.443 0.000) 9.573 4.512 ( -1.024 -7.642 0.000) 7.710 4.584 ( 9.398 -5.110 0.000) 10.698 4.734 ( 6.244 12.506 0.000) 13.978 4.760 ( 16.809 7.058 0.000) 18.231 4.956 ( 12.146 -10.837 0.000) 16.277 4.966 ( 8.494 -10.379 0.000) 13.412 6.161 ( -4.044 6.469 0.000) 7.629 6.257 ( -3.778 -2.933 0.000) 4.783 6.625 ( -9.938 2.142 0.000) 10.166 6.642 ( -6.628 0.320 0.000) 6.636 6.959 ( 3.401 5.183 0.000) 6.199 7.027 ( 4.472 -1.534 0.000) 4.727 7.232 ( 2.031 1.931 0.000) 2.802 7.247 ( 1.139 2.372 0.000) 2.631 7.260 ( -1.359 0.028 0.000) 1.359 7.300 ( -1.459 -2.819 0.000) 3.174 7.451 ( -5.262 2.469 0.000) 5.813 7.610 ( -5.744 -8.050 0.000) 9.889 7.751 ( -1.297 2.813 0.000) 3.097 7.835 ( -0.025 -6.046 0.000) 6.046 7.882 ( -0.106 1.932 0.000) 1.935 8.044 ( -0.296 -10.419 0.000) 10.423 8.613 ( 2.058 9.895 0.000) 10.107 8.702 ( 1.990 0.865 0.000) 2.170 8.876 ( 2.496 9.471 0.000) 9.794 8.995 ( 2.404 -1.560 0.000) 2.865 9.228 ( -0.750 5.264 0.000) 5.317 9.464 ( -0.897 -17.049 0.000) 17.073 9.766 ( -1.148 1.035 0.000) 1.546 9.884 ( -2.289 -11.379 0.000) 11.607 10.054 ( -6.011 2.016 0.000) 6.340 10.105 ( -4.607 -2.999 0.000) 5.497 10.333 ( -5.488 1.039 0.000) 5.586 10.356 ( -7.269 -1.541 0.000) 7.431 12.122 ( -1.329 9.424 0.000) 9.518 12.294 ( -2.576 -7.640 0.000) 8.063 12.539 ( -8.313 9.995 0.000) 13.001 12.723 ( -3.403 -8.477 0.000) 9.135 13.126 ( -6.974 13.454 0.000) 15.154 13.370 ( -7.408 -11.086 0.000) 13.333 13.865 ( -6.922 13.898 0.000) 15.526 14.126 ( -6.718 -12.124 0.000) 13.860 14.845 ( 2.182 0.946 0.000) 2.378 14.876 ( 3.665 -2.024 0.000) 4.187 15.566 ( 6.365 3.827 0.000) 7.427 15.617 ( 11.165 -1.918 0.000) 11.328 15.745 ( 3.780 3.761 0.000) 5.332 15.827 ( 6.499 -4.479 0.000) 7.893 16.108 ( 3.024 4.648 0.000) 5.545 16.220 ( -0.099 -6.041 0.000) 6.041 23.726 ( -0.052 2.340 0.000) 2.340 23.777 ( -0.139 -2.700 0.000) 2.704 23.914 ( 0.865 1.145 0.000) 1.435 23.923 ( -0.598 5.012 0.000) 5.047 23.944 ( 0.939 -1.824 0.000) 2.051 24.009 ( -0.338 -3.592 0.000) 3.608 24.645 ( -4.586 4.261 0.000) 6.260 24.712 ( -6.189 -2.083 0.000) 6.530 26.242 ( -2.219 1.504 0.000) 2.680 26.293 ( -1.430 -3.646 0.000) 3.917 26.461 ( -2.168 0.311 0.000) 2.190 26.505 ( -2.072 -4.063 0.000) 4.561 26.963 ( 3.224 6.103 0.000) 6.902 27.048 ( 4.374 -2.273 0.000) 4.929 27.403 ( 0.013 7.187 0.000) 7.187 27.562 ( 2.393 -8.778 0.000) 9.099 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 7.034 5.539 0.000) 8.953 1.916 ( -3.111 9.241 0.000) 9.750 1.949 ( 4.115 -1.570 0.000) 4.405 2.014 ( 4.152 7.824 0.000) 8.858 2.110 ( -1.114 -5.445 0.000) 5.558 2.208 ( -1.371 -6.272 0.000) 6.420 2.345 ( 0.902 16.031 0.000) 16.056 2.486 ( 0.857 6.941 0.000) 6.994 2.545 ( -3.721 -3.380 0.000) 5.027 2.563 ( 0.839 -0.643 0.000) 1.057 2.728 ( 5.330 6.998 0.000) 8.797 2.852 ( 3.256 -4.074 0.000) 5.215 2.927 ( 0.255 3.263 0.000) 3.273 2.945 ( 0.631 -0.127 0.000) 0.644 3.020 ( 0.781 -1.243 0.000) 1.468 3.086 ( 4.247 -13.301 0.000) 13.962 3.128 ( 1.421 -2.509 0.000) 2.884 3.208 ( -0.614 -6.602 0.000) 6.630 3.436 ( 4.402 5.244 0.000) 6.847 3.491 ( -2.367 7.788 0.000) 8.139 3.534 ( 4.257 -2.478 0.000) 4.926 3.669 ( -1.133 -9.249 0.000) 9.318 3.816 ( -1.386 6.281 0.000) 6.432 3.918 ( 0.817 -0.785 0.000) 1.133 3.971 ( 4.629 3.171 0.000) 5.611 3.989 ( 9.440 2.678 0.000) 9.813 4.059 ( 5.498 -4.155 0.000) 6.891 4.074 ( 3.460 -3.626 0.000) 5.012 4.372 ( 0.974 4.366 0.000) 4.473 4.472 ( -2.683 -4.784 0.000) 5.485 4.691 ( 8.499 2.290 0.000) 8.802 4.706 ( 4.033 1.401 0.000) 4.270 4.946 ( 12.909 12.374 0.000) 17.882 5.159 ( 19.554 3.337 0.000) 19.837 5.185 ( 11.681 -11.493 0.000) 16.387 5.267 ( 16.102 -6.964 0.000) 17.543 6.111 ( -0.800 5.655 0.000) 5.711 6.194 ( -2.591 -2.565 0.000) 3.646 6.465 ( -5.577 4.489 0.000) 7.159 6.546 ( -2.683 -3.492 0.000) 4.403 6.986 ( -0.454 6.374 0.000) 6.390 7.075 ( 0.462 -2.650 0.000) 2.690 7.237 ( -1.296 4.713 0.000) 4.888 7.241 ( -0.598 -0.296 0.000) 0.667 7.265 ( 0.290 1.762 0.000) 1.786 7.275 ( -1.004 -2.531 0.000) 2.722 7.356 ( -3.650 0.343 0.000) 3.666 7.488 ( -6.358 -8.038 0.000) 10.249 7.713 ( -2.196 4.357 0.000) 4.879 7.822 ( -0.999 -7.227 0.000) 7.295 7.851 ( -2.773 2.764 0.000) 3.916 8.017 ( -1.640 -11.286 0.000) 11.405 8.660 ( 2.472 10.392 0.000) 10.682 8.730 ( 0.698 2.992 0.000) 3.072 8.907 ( 0.899 10.882 0.000) 10.919 9.037 ( 1.680 -1.173 0.000) 2.049 9.207 ( -1.205 3.425 0.000) 3.631 9.445 ( -0.891 -18.542 0.000) 18.564 9.752 ( -0.076 -1.417 0.000) 1.419 9.840 ( -2.110 -11.020 0.000) 11.220 9.948 ( -4.135 3.865 0.000) 5.660 10.027 ( -2.984 -3.925 0.000) 4.930 10.216 ( -5.020 1.570 0.000) 5.259 10.248 ( -3.820 -1.704 0.000) 4.183 12.098 ( -0.935 8.046 0.000) 8.100 12.246 ( -2.018 -6.570 0.000) 6.873 12.411 ( -4.425 13.090 0.000) 13.818 12.667 ( -2.003 -12.582 0.000) 12.740 13.019 ( -3.679 13.280 0.000) 13.780 13.256 ( -3.893 -10.636 0.000) 11.326 13.747 ( -4.578 14.839 0.000) 15.529 14.022 ( -3.690 -12.577 0.000) 13.107 14.870 ( 0.573 2.036 0.000) 2.115 14.925 ( 1.387 -3.309 0.000) 3.588 15.630 ( 1.077 10.668 0.000) 10.722 15.786 ( 5.459 -4.822 0.000) 7.284 15.815 ( 2.929 5.964 0.000) 6.645 15.940 ( 4.394 -6.524 0.000) 7.866 16.179 ( 3.429 0.228 0.000) 3.437 16.222 ( 0.339 -4.119 0.000) 4.133 23.726 ( -0.001 2.192 0.000) 2.192 23.774 ( -0.141 -2.604 0.000) 2.608 23.912 ( -0.409 5.152 0.000) 5.168 23.930 ( 0.720 1.065 0.000) 1.286 23.958 ( 0.481 -1.659 0.000) 1.728 24.003 ( -0.237 -3.876 0.000) 3.884 24.569 ( -2.614 3.114 0.000) 4.065 24.612 ( -3.869 -0.937 0.000) 3.980 26.208 ( -1.194 2.125 0.000) 2.437 26.270 ( -0.791 -4.202 0.000) 4.276 26.422 ( -1.512 0.545 0.000) 1.608 26.466 ( -1.620 -3.741 0.000) 4.077 27.017 ( 2.029 7.016 0.000) 7.303 27.121 ( 2.707 -3.205 0.000) 4.195 27.392 ( -0.733 9.430 0.000) 9.458 27.601 ( 1.394 -11.672 0.000) 11.755 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.000 9.004 0.000) 9.004 1.954 ( -0.000 3.817 0.000) 3.817 1.994 ( 0.000 -0.556 0.000) 0.556 2.048 ( 0.000 -6.996 0.000) 6.996 2.119 ( -0.000 4.166 0.000) 4.166 2.180 ( 0.000 -2.511 0.000) 2.511 2.370 ( -0.000 12.696 0.000) 12.696 2.486 ( 0.000 2.170 0.000) 2.170 2.492 ( 0.000 7.864 0.000) 7.864 2.571 ( 0.000 1.810 0.000) 1.810 2.811 ( 0.000 2.176 0.000) 2.176 2.853 ( -0.000 -0.544 0.000) 0.544 2.919 ( 0.000 2.719 0.000) 2.719 2.959 ( 0.000 0.158 0.000) 0.158 3.025 ( 0.000 -2.426 0.000) 2.426 3.128 ( 0.000 -15.502 0.000) 15.502 3.140 ( -0.000 -2.983 0.000) 2.983 3.223 ( 0.000 -6.382 0.000) 6.382 3.460 ( -0.000 8.785 0.000) 8.785 3.493 ( -0.000 5.549 0.000) 5.549 3.573 ( 0.000 0.458 0.000) 0.458 3.654 ( 0.000 -10.069 0.000) 10.069 3.793 ( 0.000 3.366 0.000) 3.366 3.899 ( 0.000 -5.325 0.000) 5.325 4.068 ( -0.000 3.028 0.000) 3.028 4.091 ( -0.000 -0.223 0.000) 0.223 4.093 ( 0.000 -0.680 0.000) 0.680 4.096 ( 0.000 0.700 0.000) 0.700 4.379 ( 0.000 2.342 0.000) 2.342 4.435 ( 0.000 -2.790 0.000) 2.790 4.747 ( 0.000 2.285 0.000) 2.285 4.774 ( 0.000 -0.139 0.000) 0.139 5.101 ( -0.000 11.058 0.000) 11.058 5.320 ( 0.000 -10.890 0.000) 10.890 5.395 ( -0.000 2.151 0.000) 2.151 5.432 ( 0.000 -2.295 0.000) 2.295 6.116 ( -0.000 3.742 0.000) 3.742 6.161 ( 0.000 -1.165 0.000) 1.165 6.411 ( 0.000 5.994 0.000) 5.994 6.529 ( 0.000 -5.242 0.000) 5.242 6.972 ( 0.000 6.709 0.000) 6.709 7.071 ( 0.000 -3.373 0.000) 3.373 7.221 ( 0.000 3.976 0.000) 3.976 7.235 ( 0.000 -0.393 0.000) 0.393 7.255 ( 0.000 1.608 0.000) 1.608 7.264 ( 0.000 -2.266 0.000) 2.266 7.317 ( -0.000 -1.001 0.000) 1.001 7.411 ( 0.000 -8.964 0.000) 8.964 7.686 ( 0.000 5.403 0.000) 5.403 7.810 ( 0.000 -7.693 0.000) 7.693 7.814 ( 0.000 5.668 0.000) 5.668 8.001 ( 0.000 -11.953 0.000) 11.953 8.692 ( 0.000 10.391 0.000) 10.391 8.732 ( 0.000 4.302 0.000) 4.302 8.916 ( 0.000 11.480 0.000) 11.480 9.054 ( 0.000 -1.388 0.000) 1.388 9.193 ( 0.000 2.602 0.000) 2.602 9.435 ( 0.000 -19.463 0.000) 19.463 9.757 ( -0.000 -3.117 0.000) 3.117 9.812 ( 0.000 -9.720 0.000) 9.720 9.906 ( 0.000 4.740 0.000) 4.740 9.996 ( 0.000 -4.343 0.000) 4.343 10.165 ( 0.000 2.231 0.000) 2.231 10.208 ( 0.000 -2.336 0.000) 2.336 12.089 ( 0.000 7.392 0.000) 7.392 12.224 ( 0.000 -6.034 0.000) 6.034 12.367 ( 0.000 13.953 0.000) 13.953 12.647 ( 0.000 -14.090 0.000) 14.090 12.983 ( 0.000 13.213 0.000) 13.213 13.218 ( 0.000 -10.482 0.000) 10.482 13.700 ( 0.000 15.541 0.000) 15.541 13.985 ( 0.000 -12.992 0.000) 12.992 14.875 ( 0.000 2.367 0.000) 2.367 14.937 ( -0.000 -3.781 0.000) 3.781 15.636 ( 0.000 13.115 0.000) 13.115 15.838 ( 0.000 -6.326 0.000) 6.326 15.846 ( 0.000 6.748 0.000) 6.748 15.985 ( 0.000 -7.183 0.000) 7.183 16.217 ( 0.000 -1.264 0.000) 1.264 16.227 ( 0.000 -2.810 0.000) 2.810 23.726 ( -0.000 2.098 0.000) 2.098 23.773 ( 0.000 -2.533 0.000) 2.533 23.908 ( 0.000 5.207 0.000) 5.207 23.938 ( 0.000 0.935 0.000) 0.935 23.963 ( -0.000 -1.474 0.000) 1.474 24.000 ( 0.000 -3.991 0.000) 3.991 24.547 ( 0.000 2.021 0.000) 2.021 24.569 ( -0.000 -0.011 0.000) 0.011 26.196 ( 0.000 2.334 0.000) 2.334 26.262 ( 0.000 -4.388 0.000) 4.388 26.407 ( 0.000 0.634 0.000) 0.634 26.449 ( 0.000 -3.517 0.000) 3.517 27.037 ( 0.000 7.362 0.000) 7.362 27.148 ( 0.000 -3.538 0.000) 3.538 27.384 ( 0.000 10.461 0.000) 10.461 27.615 ( 0.000 -12.843 0.000) 12.843 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 0.000 27.402) 27.402 0.640 ( 0.000 0.000 28.395) 28.395 1.163 ( 0.000 0.000 45.683) 45.683 1.589 ( 0.000 0.000 -12.346) 12.346 1.733 ( 0.000 0.000 -0.219) 0.219 1.792 ( 0.000 0.000 -19.797) 19.797 1.837 ( 0.000 0.000 4.796) 4.796 1.856 ( 0.000 0.000 7.211) 7.211 2.219 ( 0.000 0.000 -7.528) 7.528 2.784 ( 0.000 0.000 -12.749) 12.749 2.809 ( 0.000 0.000 6.030) 6.030 2.878 ( 0.000 0.000 9.042) 9.042 2.944 ( 0.000 0.000 -6.299) 6.299 2.966 ( 0.000 0.000 -5.340) 5.340 2.976 ( 0.000 0.000 -3.143) 3.143 2.999 ( 0.000 0.000 4.783) 4.783 3.173 ( 0.000 0.000 -1.268) 1.268 3.192 ( 0.000 0.000 0.009) 0.009 3.238 ( 0.000 0.000 3.044) 3.044 3.259 ( 0.000 0.000 -3.390) 3.390 3.422 ( 0.000 0.000 -2.304) 2.304 3.483 ( 0.000 0.000 5.583) 5.583 3.673 ( 0.000 0.000 13.806) 13.806 3.713 ( 0.000 0.000 -2.906) 2.906 3.806 ( 0.000 0.000 7.684) 7.684 3.852 ( 0.000 0.000 -11.439) 11.439 4.040 ( 0.000 0.000 -1.098) 1.098 4.066 ( 0.000 0.000 4.147) 4.147 4.197 ( 0.000 0.000 -4.769) 4.769 4.217 ( 0.000 0.000 -1.854) 1.854 4.251 ( 0.000 0.000 3.849) 3.849 4.257 ( 0.000 0.000 1.680) 1.680 4.334 ( 0.000 0.000 -0.123) 0.123 4.840 ( 0.000 0.000 -17.880) 17.880 4.904 ( 0.000 0.000 5.281) 5.281 5.202 ( 0.000 0.000 -6.647) 6.647 6.052 ( 0.000 0.000 3.998) 3.998 6.272 ( 0.000 0.000 -3.651) 3.651 6.316 ( 0.000 0.000 5.170) 5.170 6.534 ( 0.000 0.000 -3.047) 3.047 6.689 ( 0.000 0.000 3.294) 3.294 6.904 ( 0.000 0.000 3.112) 3.112 6.916 ( 0.000 0.000 -4.745) 4.745 7.054 ( 0.000 0.000 -2.163) 2.163 7.583 ( 0.000 0.000 1.206) 1.206 7.648 ( 0.000 0.000 -0.968) 0.968 7.745 ( 0.000 0.000 -0.664) 0.664 7.752 ( 0.000 0.000 -0.007) 0.007 7.868 ( 0.000 0.000 3.476) 3.476 7.913 ( 0.000 0.000 4.173) 4.173 8.001 ( 0.000 0.000 3.500) 3.500 8.173 ( 0.000 0.000 -3.642) 3.642 8.540 ( 0.000 0.000 -1.013) 1.013 8.694 ( 0.000 0.000 -4.946) 4.946 8.805 ( 0.000 0.000 0.597) 0.597 8.808 ( 0.000 0.000 0.399) 0.399 9.199 ( 0.000 0.000 5.754) 5.754 9.563 ( 0.000 0.000 -7.394) 7.394 10.207 ( 0.000 0.000 0.059) 0.059 10.232 ( 0.000 0.000 -0.684) 0.684 10.391 ( 0.000 0.000 8.609) 8.609 10.399 ( 0.000 0.000 1.734) 1.734 10.465 ( 0.000 0.000 -0.658) 0.658 10.723 ( 0.000 0.000 -3.884) 3.884 12.380 ( 0.000 0.000 0.801) 0.801 12.437 ( 0.000 0.000 -1.200) 1.200 12.636 ( 0.000 0.000 2.141) 2.141 12.757 ( 0.000 0.000 -2.121) 2.121 12.779 ( 0.000 0.000 7.151) 7.151 13.179 ( 0.000 0.000 -6.944) 6.944 14.103 ( 0.000 0.000 6.139) 6.139 14.564 ( 0.000 0.000 -10.793) 10.793 14.791 ( 0.000 0.000 2.881) 2.881 14.984 ( 0.000 0.000 -4.986) 4.986 15.507 ( 0.000 0.000 0.438) 0.438 15.571 ( 0.000 0.000 -2.237) 2.237 15.684 ( 0.000 0.000 1.360) 1.360 15.691 ( 0.000 0.000 0.668) 0.668 15.834 ( 0.000 0.000 12.372) 12.372 16.327 ( 0.000 0.000 -6.749) 6.749 23.698 ( 0.000 0.000 2.977) 2.977 23.874 ( 0.000 0.000 -0.186) 0.186 23.875 ( 0.000 0.000 -3.595) 3.595 23.922 ( 0.000 0.000 -2.344) 2.344 24.172 ( 0.000 0.000 6.040) 6.040 24.327 ( 0.000 0.000 3.965) 3.965 24.465 ( 0.000 0.000 -1.370) 1.370 24.489 ( 0.000 0.000 -5.455) 5.455 26.436 ( 0.000 0.000 3.273) 3.273 26.642 ( 0.000 0.000 -4.167) 4.167 26.652 ( 0.000 0.000 1.107) 1.107 26.678 ( 0.000 0.000 1.267) 1.267 26.729 ( 0.000 0.000 -0.921) 0.921 26.767 ( 0.000 0.000 -1.219) 1.219 27.334 ( 0.000 0.000 4.582) 4.582 27.566 ( 0.000 0.000 -3.769) 3.769 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 16.433 0.000 20.144) 25.996 0.907 ( 17.754 0.000 19.700) 26.520 1.555 ( 11.573 0.000 8.041) 14.092 1.562 ( 21.154 0.000 19.945) 29.074 1.575 ( -7.069 0.000 -5.902) 9.209 1.782 ( -1.148 0.000 3.316) 3.509 1.906 ( 4.530 0.000 8.593) 9.714 2.031 ( 13.873 0.000 -9.369) 16.740 2.229 ( 1.053 0.000 -8.357) 8.423 2.750 ( -4.919 0.000 1.737) 5.217 2.828 ( 3.483 0.000 -6.631) 7.490 2.889 ( -5.041 0.000 -4.357) 6.663 2.909 ( 0.804 0.000 2.655) 2.774 2.999 ( 0.102 0.000 5.359) 5.360 3.025 ( 2.519 0.000 -5.073) 5.664 3.066 ( 13.979 0.000 -3.459) 14.400 3.149 ( -6.313 0.000 1.590) 6.510 3.216 ( 2.424 0.000 5.002) 5.558 3.285 ( 5.828 0.000 -0.031) 5.828 3.324 ( 4.170 0.000 -1.068) 4.304 3.427 ( -0.286 0.000 -1.115) 1.151 3.545 ( -3.156 0.000 10.089) 10.571 3.588 ( 10.078 0.000 3.347) 10.619 3.775 ( -1.528 0.000 3.406) 3.733 3.839 ( -3.236 0.000 7.430) 8.105 3.881 ( 2.388 0.000 -9.029) 9.339 3.898 ( 14.854 0.000 -2.441) 15.053 4.074 ( -0.831 0.000 2.914) 3.030 4.165 ( 0.063 0.000 1.574) 1.576 4.240 ( 1.508 0.000 1.248) 1.958 4.325 ( 5.439 0.000 -4.155) 6.844 4.345 ( 2.665 0.000 1.862) 3.251 4.485 ( 7.390 0.000 -7.381) 10.444 4.862 ( 3.094 0.000 -10.813) 11.247 4.928 ( 2.805 0.000 0.248) 2.816 5.216 ( 1.659 0.000 -7.083) 7.275 5.990 ( -4.560 0.000 5.316) 7.004 6.241 ( -2.715 0.000 -3.990) 4.826 6.306 ( -1.028 0.000 5.417) 5.513 6.535 ( 0.107 0.000 -3.224) 3.226 6.707 ( 1.451 0.000 3.159) 3.476 6.917 ( 0.697 0.000 -2.887) 2.970 6.934 ( 2.153 0.000 1.181) 2.456 7.055 ( 0.136 0.000 -1.718) 1.723 7.536 ( -7.684 0.000 4.697) 9.006 7.581 ( -1.774 0.000 -2.178) 2.809 7.685 ( 0.070 0.000 0.953) 0.955 7.736 ( -0.896 0.000 -0.315) 0.950 7.879 ( -0.676 0.000 6.783) 6.817 7.935 ( 2.489 0.000 8.465) 8.824 8.057 ( 5.997 0.000 2.580) 6.528 8.185 ( 0.463 0.000 -3.205) 3.238 8.573 ( 3.281 0.000 -1.420) 3.575 8.750 ( -1.963 0.000 -0.958) 2.184 8.771 ( -3.697 0.000 0.753) 3.773 9.031 ( 10.889 0.000 -21.913) 24.469 9.224 ( 2.558 0.000 4.732) 5.379 9.560 ( 0.097 0.000 -6.720) 6.720 10.192 ( -0.971 0.000 -0.320) 1.022 10.207 ( -2.414 0.000 -0.226) 2.425 10.326 ( -6.303 0.000 7.454) 9.762 10.395 ( -0.296 0.000 2.782) 2.798 10.485 ( 1.518 0.000 -0.797) 1.714 10.638 ( -8.085 0.000 -3.549) 8.830 12.096 ( -15.354 0.000 11.873) 19.410 12.299 ( -9.976 0.000 -1.854) 10.147 12.672 ( -0.818 0.000 6.007) 6.063 12.688 ( -7.470 0.000 6.234) 9.730 12.880 ( 7.868 0.000 -2.554) 8.272 13.077 ( -6.323 0.000 -8.797) 10.834 14.003 ( -8.781 0.000 6.575) 10.970 14.503 ( -7.093 0.000 -12.529) 14.397 14.867 ( 7.001 0.000 4.260) 8.195 15.014 ( 0.182 0.000 4.147) 4.151 15.446 ( -6.192 0.000 0.429) 6.207 15.554 ( 0.862 0.000 -6.901) 6.955 15.806 ( 10.449 0.000 0.299) 10.453 15.814 ( 11.448 0.000 -0.259) 11.451 15.867 ( 1.432 0.000 10.438) 10.536 16.329 ( 0.112 0.000 -6.540) 6.541 23.698 ( -0.027 0.000 2.925) 2.925 23.865 ( -1.218 0.000 -0.830) 1.474 23.875 ( 0.105 0.000 -0.195) 0.222 23.884 ( -3.231 0.000 -0.147) 3.235 24.120 ( -7.191 0.000 10.491) 12.719 24.187 ( -1.041 0.000 7.314) 7.388 24.398 ( -3.852 0.000 -2.707) 4.708 24.528 ( 1.105 0.000 -5.140) 5.257 26.354 ( -5.489 0.000 2.167) 5.902 26.486 ( -4.495 0.000 -3.538) 5.720 26.644 ( -1.016 0.000 1.129) 1.519 26.711 ( -1.180 0.000 -1.248) 1.718 26.809 ( 9.438 0.000 3.805) 10.176 26.845 ( -0.484 0.000 7.606) 7.622 27.478 ( -8.106 0.000 -2.757) 8.562 27.651 ( 17.977 0.000 -19.957) 26.860 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 21.020 0.000 11.415) 23.919 1.249 ( 15.703 0.000 9.076) 18.137 1.473 ( -3.415 0.000 -2.772) 4.399 1.520 ( 0.812 0.000 10.224) 10.256 1.824 ( 4.784 0.000 -0.323) 4.795 1.975 ( 5.475 0.000 5.550) 7.796 2.223 ( 2.882 0.000 -3.079) 4.218 2.308 ( 9.168 0.000 -9.691) 13.340 2.356 ( 36.702 0.000 15.723) 39.928 2.633 ( -6.782 0.000 -1.979) 7.065 2.769 ( -6.691 0.000 -3.382) 7.497 2.870 ( -0.084 0.000 -0.369) 0.378 2.906 ( -12.582 0.000 7.521) 14.659 2.935 ( 2.579 0.000 1.205) 2.847 2.990 ( -0.819 0.000 3.410) 3.507 3.165 ( 6.425 0.000 -7.502) 9.878 3.246 ( 0.182 0.000 5.639) 5.642 3.323 ( -4.536 0.000 4.744) 6.564 3.358 ( 2.145 0.000 -1.533) 2.637 3.428 ( 17.676 0.000 -5.454) 18.498 3.429 ( 2.958 0.000 4.121) 5.073 3.697 ( 9.920 0.000 0.442) 9.930 3.777 ( 1.140 0.000 1.020) 1.530 3.839 ( 13.916 0.000 -3.611) 14.376 3.840 ( 4.808 0.000 3.204) 5.778 3.933 ( 3.123 0.000 -5.826) 6.610 4.030 ( -1.168 0.000 -2.920) 3.145 4.074 ( 3.209 0.000 -2.118) 3.845 4.177 ( 0.644 0.000 2.635) 2.712 4.358 ( 1.419 0.000 1.335) 1.948 4.460 ( 8.712 0.000 3.631) 9.439 4.494 ( 11.305 0.000 -2.559) 11.591 4.611 ( 12.858 0.000 -1.983) 13.010 4.920 ( 1.758 0.000 2.693) 3.216 5.091 ( 14.293 0.000 -10.913) 17.983 5.282 ( 5.352 0.000 -8.581) 10.113 5.912 ( -2.922 0.000 5.483) 6.213 6.183 ( -2.761 0.000 -4.261) 5.077 6.279 ( -1.525 0.000 6.011) 6.202 6.538 ( 0.114 0.000 -3.652) 3.654 6.733 ( 0.947 0.000 2.962) 3.110 6.922 ( -0.238 0.000 -3.722) 3.730 6.992 ( 3.364 0.000 1.660) 3.751 7.061 ( 0.718 0.000 -0.846) 1.109 7.430 ( -3.459 0.000 3.381) 4.837 7.497 ( -5.639 0.000 -3.582) 6.680 7.697 ( 0.821 0.000 -0.334) 0.886 7.721 ( -1.309 0.000 0.077) 1.312 7.871 ( -0.275 0.000 6.804) 6.809 7.989 ( 1.789 0.000 12.190) 12.321 8.166 ( -2.334 0.000 -3.309) 4.049 8.188 ( 6.590 0.000 3.613) 7.516 8.634 ( -1.799 0.000 -1.274) 2.204 8.689 ( -3.831 0.000 -0.568) 3.873 8.695 ( 0.821 0.000 -1.069) 1.348 9.004 ( -11.294 0.000 -16.841) 20.277 9.272 ( 2.274 0.000 5.389) 5.850 9.584 ( 2.486 0.000 -5.837) 6.344 10.115 ( -8.738 0.000 5.111) 10.123 10.189 ( 0.545 0.000 -2.301) 2.365 10.192 ( -4.406 0.000 1.091) 4.539 10.369 ( -5.098 0.000 -0.166) 5.101 10.459 ( -6.312 0.000 0.340) 6.321 10.504 ( 0.056 0.000 -0.525) 0.528 11.918 ( -3.825 0.000 7.798) 8.686 12.125 ( -6.965 0.000 -2.541) 7.413 12.521 ( -8.321 0.000 6.269) 10.418 12.617 ( -3.768 0.000 7.983) 8.828 12.956 ( -6.363 0.000 -9.045) 11.059 13.011 ( 4.938 0.000 -5.252) 7.209 13.818 ( -8.808 0.000 7.254) 11.411 14.346 ( -7.348 0.000 -12.683) 14.658 14.975 ( -3.041 0.000 7.660) 8.241 15.023 ( 7.588 0.000 5.823) 9.564 15.291 ( -8.324 0.000 0.859) 8.369 15.611 ( 3.632 0.000 -7.270) 8.127 15.878 ( 0.150 0.000 8.579) 8.580 16.034 ( 11.243 0.000 0.193) 11.245 16.053 ( 11.301 0.000 -0.435) 11.309 16.327 ( -0.413 0.000 -6.354) 6.367 23.697 ( -0.061 0.000 2.643) 2.644 23.814 ( -2.214 0.000 8.123) 8.419 23.857 ( -0.539 0.000 -3.562) 3.603 23.879 ( 0.298 0.000 0.152) 0.335 24.046 ( -1.584 0.000 3.037) 3.425 24.187 ( 0.268 0.000 6.000) 6.006 24.336 ( -2.146 0.000 -3.512) 4.116 24.518 ( -2.060 0.000 -6.264) 6.594 26.263 ( -3.557 0.000 2.308) 4.240 26.436 ( -1.520 0.000 -5.490) 5.696 26.613 ( -1.945 0.000 1.189) 2.279 26.677 ( -2.144 0.000 -1.118) 2.418 26.811 ( -1.910 0.000 8.761) 8.966 26.986 ( 7.338 0.000 3.990) 8.352 27.298 ( -8.484 0.000 1.436) 8.605 27.903 ( 8.720 0.000 -19.493) 21.354 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 1.088 0.000 2.415) 2.648 1.430 ( -0.990 0.000 -0.423) 1.077 1.612 ( 19.450 0.000 5.035) 20.092 1.691 ( 13.788 0.000 8.423) 16.157 1.938 ( 5.823 0.000 3.271) 6.679 2.074 ( 5.189 0.000 6.602) 8.397 2.242 ( -0.800 0.000 -0.304) 0.856 2.433 ( -3.053 0.000 0.285) 3.066 2.530 ( 2.452 0.000 -11.507) 11.766 2.609 ( -14.370 0.000 11.351) 18.312 2.633 ( -5.794 0.000 -3.597) 6.820 2.851 ( -1.457 0.000 -1.032) 1.785 2.945 ( -1.274 0.000 1.959) 2.337 2.979 ( 21.561 0.000 6.048) 22.393 3.012 ( 2.858 0.000 5.255) 5.982 3.197 ( -6.937 0.000 6.550) 9.541 3.240 ( -0.105 0.000 3.254) 3.256 3.280 ( 3.740 0.000 -9.847) 10.534 3.399 ( 2.752 0.000 -1.614) 3.191 3.496 ( 1.832 0.000 2.331) 2.965 3.635 ( 4.522 0.000 -6.249) 7.713 3.771 ( -1.050 0.000 -1.802) 2.086 3.789 ( 3.722 0.000 3.229) 4.927 3.929 ( -2.785 0.000 0.686) 2.868 3.976 ( 0.744 0.000 -6.154) 6.199 4.044 ( 6.187 0.000 -1.663) 6.407 4.110 ( 11.791 0.000 0.169) 11.793 4.177 ( 0.216 0.000 3.448) 3.454 4.332 ( -3.100 0.000 2.431) 3.940 4.339 ( 18.528 0.000 -6.742) 19.717 4.489 ( -1.491 0.000 7.532) 7.679 4.708 ( 8.486 0.000 -1.805) 8.676 4.947 ( 1.388 0.000 4.487) 4.697 4.963 ( 16.220 0.000 -2.155) 16.363 5.400 ( 13.719 0.000 -12.876) 18.815 5.408 ( 5.483 0.000 -9.641) 11.091 5.879 ( -0.634 0.000 5.555) 5.591 6.144 ( -1.030 0.000 -3.806) 3.943 6.252 ( -1.074 0.000 6.619) 6.706 6.540 ( 0.098 0.000 -4.036) 4.037 6.744 ( 0.219 0.000 2.798) 2.806 6.911 ( -0.708 0.000 -3.233) 3.310 7.065 ( 4.257 0.000 0.695) 4.313 7.103 ( 3.641 0.000 -1.184) 3.828 7.403 ( 1.375 0.000 3.288) 3.563 7.405 ( -2.596 0.000 -0.400) 2.626 7.649 ( -7.019 0.000 4.613) 8.399 7.702 ( -1.099 0.000 -0.954) 1.456 7.854 ( -1.763 0.000 5.400) 5.681 7.970 ( -3.101 0.000 7.973) 8.555 8.130 ( -0.472 0.000 -4.489) 4.513 8.300 ( 4.563 0.000 4.897) 6.693 8.530 ( -4.905 0.000 1.333) 5.082 8.607 ( -5.014 0.000 -1.946) 5.378 8.706 ( -14.497 0.000 -10.443) 17.866 8.783 ( 4.559 0.000 -5.582) 7.207 9.318 ( 2.028 0.000 6.285) 6.604 9.646 ( 3.122 0.000 -5.631) 6.439 9.921 ( -8.702 0.000 5.907) 10.517 10.143 ( -1.420 0.000 -0.193) 1.433 10.183 ( -5.357 0.000 -3.527) 6.414 10.214 ( -2.326 0.000 -3.930) 4.567 10.430 ( 0.181 0.000 3.894) 3.898 10.488 ( -1.309 0.000 0.771) 1.519 11.891 ( 0.000 0.000 3.297) 3.297 12.030 ( -2.842 0.000 -2.569) 3.831 12.390 ( -4.553 0.000 6.539) 7.968 12.554 ( -2.150 0.000 9.183) 9.432 12.832 ( -5.564 0.000 -7.998) 9.743 13.074 ( 1.621 0.000 -7.918) 8.083 13.682 ( -4.710 0.000 7.689) 9.018 14.239 ( -3.431 0.000 -13.356) 13.790 14.922 ( -2.007 0.000 5.241) 5.612 15.089 ( -2.934 0.000 -0.883) 3.064 15.201 ( 1.557 0.000 9.277) 9.406 15.666 ( 1.793 0.000 -2.089) 2.753 15.882 ( 0.294 0.000 5.432) 5.440 16.214 ( 6.454 0.000 0.129) 6.456 16.230 ( 6.299 0.000 -0.469) 6.317 16.316 ( -0.566 0.000 -6.374) 6.399 23.695 ( -0.068 0.000 2.129) 2.130 23.786 ( -0.803 0.000 8.812) 8.848 23.853 ( 0.056 0.000 -4.246) 4.247 23.885 ( 0.273 0.000 0.964) 1.002 24.026 ( -0.661 0.000 -0.029) 0.661 24.193 ( 0.240 0.000 5.610) 5.615 24.319 ( 0.505 0.000 -5.376) 5.400 24.456 ( -3.723 0.000 -5.626) 6.746 26.213 ( -1.627 0.000 2.965) 3.382 26.412 ( -0.939 0.000 -5.428) 5.508 26.577 ( -1.481 0.000 1.148) 1.874 26.635 ( -1.787 0.000 -1.025) 2.060 26.784 ( -0.841 0.000 7.165) 7.214 27.045 ( -1.500 0.000 -2.788) 3.166 27.216 ( 0.563 0.000 11.430) 11.444 28.025 ( 3.983 0.000 -17.253) 17.707 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 0.000 3.669) 3.669 1.422 ( 0.000 0.000 0.129) 0.129 1.858 ( -0.000 0.000 -2.525) 2.525 1.870 ( 0.000 0.000 -0.060) 0.060 2.004 ( 0.000 0.000 7.499) 7.499 2.176 ( 0.000 0.000 8.361) 8.361 2.182 ( 0.000 0.000 6.903) 6.903 2.362 ( 0.000 0.000 -2.988) 2.988 2.393 ( 0.000 0.000 16.293) 16.293 2.565 ( 0.000 0.000 -3.868) 3.868 2.599 ( -0.000 0.000 -10.470) 10.470 2.828 ( 0.000 0.000 -2.915) 2.915 2.929 ( 0.000 0.000 1.484) 1.484 3.078 ( -0.000 0.000 9.128) 9.128 3.084 ( 0.000 0.000 5.582) 5.582 3.206 ( -0.000 0.000 0.093) 0.093 3.235 ( 0.000 0.000 4.021) 4.021 3.317 ( 0.000 0.000 -13.432) 13.432 3.454 ( 0.000 0.000 1.242) 1.242 3.485 ( -0.000 0.000 -2.151) 2.151 3.674 ( 0.000 0.000 -1.418) 1.418 3.756 ( 0.000 0.000 -7.970) 7.970 3.841 ( 0.000 0.000 1.357) 1.357 3.898 ( 0.000 0.000 7.069) 7.069 3.981 ( 0.000 0.000 -6.429) 6.429 4.118 ( -0.000 0.000 -2.486) 2.486 4.166 ( 0.000 0.000 4.966) 4.966 4.231 ( 0.000 0.000 1.453) 1.453 4.307 ( 0.000 0.000 2.476) 2.476 4.458 ( 0.000 0.000 9.831) 9.831 4.562 ( 0.000 0.000 -5.729) 5.729 4.782 ( 0.000 0.000 -5.312) 5.312 4.974 ( 0.000 0.000 7.480) 7.480 5.152 ( 0.000 0.000 -3.206) 3.206 5.448 ( 0.000 0.000 -9.453) 9.453 5.541 ( 0.000 0.000 -15.287) 15.287 5.875 ( 0.000 0.000 5.698) 5.698 6.138 ( 0.000 0.000 -3.353) 3.353 6.240 ( 0.000 0.000 6.884) 6.884 6.541 ( 0.000 0.000 -4.177) 4.177 6.745 ( 0.000 0.000 2.730) 2.730 6.902 ( 0.000 0.000 -3.069) 3.069 7.128 ( 0.000 0.000 -1.091) 1.091 7.154 ( 0.000 0.000 -2.977) 2.977 7.421 ( -0.000 0.000 7.841) 7.841 7.470 ( 0.000 0.000 6.493) 6.493 7.500 ( 0.000 0.000 3.868) 3.868 7.649 ( -0.000 0.000 -2.196) 2.196 7.826 ( 0.000 0.000 3.784) 3.784 7.933 ( 0.000 0.000 1.695) 1.695 8.131 ( 0.000 0.000 -3.035) 3.035 8.359 ( -0.000 0.000 8.071) 8.071 8.480 ( 0.000 0.000 1.857) 1.857 8.480 ( 0.000 0.000 -12.435) 12.435 8.600 ( -0.000 0.000 -0.786) 0.786 8.833 ( 0.000 0.000 -6.623) 6.623 9.339 ( 0.000 0.000 6.490) 6.490 9.681 ( 0.000 0.000 -5.780) 5.780 9.827 ( 0.000 0.000 5.796) 5.796 10.103 ( 0.000 0.000 -4.125) 4.125 10.129 ( 0.000 0.000 -0.101) 0.101 10.212 ( 0.000 0.000 -3.822) 3.822 10.433 ( 0.000 0.000 3.756) 3.756 10.471 ( 0.000 0.000 1.647) 1.647 11.894 ( 0.000 0.000 1.791) 1.791 12.004 ( 0.000 0.000 -2.481) 2.481 12.346 ( 0.000 0.000 6.738) 6.738 12.534 ( 0.000 0.000 11.044) 11.044 12.769 ( 0.000 0.000 -8.810) 8.810 13.087 ( 0.000 0.000 -9.177) 9.177 13.635 ( 0.000 0.000 7.870) 7.870 14.206 ( 0.000 0.000 -13.672) 13.672 14.902 ( 0.000 0.000 4.090) 4.090 15.042 ( 0.000 0.000 -1.338) 1.338 15.232 ( 0.000 0.000 10.472) 10.472 15.683 ( 0.000 0.000 0.489) 0.489 15.886 ( 0.000 0.000 3.682) 3.682 16.279 ( 0.000 0.000 0.127) 0.127 16.293 ( 0.000 0.000 -0.456) 0.456 16.309 ( 0.000 0.000 -6.435) 6.435 23.695 ( 0.000 0.000 1.849) 1.849 23.779 ( 0.000 0.000 8.825) 8.825 23.855 ( 0.000 0.000 -4.724) 4.724 23.888 ( 0.000 0.000 1.406) 1.406 24.019 ( 0.000 0.000 -0.545) 0.545 24.195 ( 0.000 0.000 5.466) 5.466 24.338 ( 0.000 0.000 -8.487) 8.487 24.403 ( 0.000 0.000 -2.812) 2.812 26.197 ( 0.000 0.000 3.256) 3.256 26.402 ( 0.000 0.000 -5.088) 5.088 26.562 ( 0.000 0.000 0.923) 0.923 26.616 ( 0.000 0.000 -0.991) 0.991 26.776 ( 0.000 0.000 6.446) 6.446 27.017 ( 0.000 0.000 -3.118) 3.118 27.234 ( 0.000 0.000 12.868) 12.868 28.064 ( 0.000 0.000 -16.614) 16.614 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 18.058 20.880) 27.605 0.904 ( 0.000 19.389 20.413) 28.154 1.407 ( 0.000 20.808 25.382) 32.821 1.643 ( 0.000 11.372 -4.450) 12.212 1.834 ( 0.000 2.285 -5.616) 6.063 1.877 ( 0.000 3.852 -6.870) 7.877 1.908 ( 0.000 13.611 7.941) 15.758 2.018 ( 0.000 12.810 -9.016) 15.665 2.200 ( 0.000 -1.743 -8.367) 8.547 2.710 ( 0.000 -5.196 -9.455) 10.789 2.786 ( 0.000 -2.742 3.113) 4.148 2.866 ( 0.000 -0.944 10.302) 10.345 2.878 ( 0.000 -4.716 -3.250) 5.727 2.929 ( 0.000 -4.566 -0.735) 4.625 2.965 ( 0.000 -2.840 4.867) 5.635 3.017 ( 0.000 -0.634 -4.753) 4.795 3.133 ( 0.000 -4.098 0.020) 4.098 3.166 ( 0.000 -0.730 -1.314) 1.503 3.237 ( 0.000 -1.343 -4.393) 4.593 3.287 ( 0.000 4.281 1.455) 4.522 3.413 ( 0.000 -0.835 -1.132) 1.407 3.450 ( 0.000 -3.105 6.550) 7.249 3.602 ( 0.000 -6.616 14.575) 16.006 3.709 ( 0.000 -0.037 -2.737) 2.737 3.800 ( 0.000 0.649 8.491) 8.516 3.807 ( 0.000 -4.595 -9.931) 10.943 3.906 ( 0.000 -2.907 2.918) 4.118 4.029 ( 0.000 -3.380 3.858) 5.129 4.131 ( 0.000 -4.650 -0.304) 4.660 4.234 ( 0.000 2.934 -4.323) 5.225 4.284 ( 0.000 3.304 3.745) 4.995 4.328 ( 0.000 3.600 0.127) 3.603 4.384 ( 0.000 4.228 -1.014) 4.348 4.821 ( 0.000 -1.704 -16.496) 16.584 4.875 ( 0.000 -3.046 5.398) 6.198 5.133 ( 0.000 -6.766 -5.015) 8.422 6.140 ( 0.000 9.009 7.759) 11.889 6.336 ( 0.000 2.102 4.497) 4.964 6.555 ( 0.000 2.246 -3.490) 4.150 6.640 ( 0.000 19.655 -17.184) 26.107 6.716 ( 0.000 2.525 3.492) 4.310 6.931 ( 0.000 3.408 1.891) 3.897 6.950 ( 0.000 3.100 -4.701) 5.631 7.066 ( 0.000 1.200 -2.146) 2.459 7.502 ( 0.000 -6.428 1.590) 6.622 7.594 ( 0.000 -4.523 -1.712) 4.836 7.742 ( 0.000 0.309 0.341) 0.460 7.753 ( 0.000 0.355 -0.018) 0.355 7.801 ( 0.000 -6.948 7.152) 9.971 7.916 ( 0.000 -0.415 5.754) 5.769 8.122 ( 0.000 10.322 2.233) 10.561 8.267 ( 0.000 8.440 -3.647) 9.194 8.277 ( 0.000 -16.503 0.485) 16.510 8.503 ( 0.000 -20.531 -2.633) 20.699 8.762 ( 0.000 -4.101 0.453) 4.126 8.800 ( 0.000 2.280 -3.977) 4.584 9.207 ( 0.000 0.752 5.931) 5.978 9.580 ( 0.000 1.621 -7.580) 7.751 10.191 ( 0.000 -7.774 2.386) 8.132 10.248 ( 0.000 -1.605 0.547) 1.696 10.333 ( 0.000 -0.292 2.079) 2.099 10.374 ( 0.000 -1.560 8.561) 8.702 10.420 ( 0.000 -3.486 -0.984) 3.623 10.692 ( 0.000 -3.005 -3.543) 4.646 12.069 ( 0.000 -7.245 15.554) 17.159 12.613 ( 0.000 -2.409 2.496) 3.469 12.630 ( 0.000 2.960 -13.220) 13.547 12.756 ( 0.000 -0.136 -2.566) 2.570 12.961 ( 0.000 11.952 5.483) 13.150 13.335 ( 0.000 14.365 -7.976) 16.430 14.049 ( 0.000 -5.230 6.225) 8.130 14.516 ( 0.000 -4.723 -11.237) 12.189 14.807 ( 0.000 1.328 3.376) 3.628 15.002 ( 0.000 1.794 -4.524) 4.867 15.216 ( 0.000 -18.012 14.127) 22.891 15.485 ( 0.000 -5.809 -2.839) 6.466 15.695 ( 0.000 0.084 1.609) 1.611 15.740 ( 0.000 5.103 -0.139) 5.105 15.826 ( 0.000 -0.851 11.866) 11.896 16.310 ( 0.000 -1.746 -6.731) 6.953 23.701 ( 0.000 0.411 2.805) 2.835 23.854 ( 0.000 -1.617 1.248) 2.042 23.868 ( 0.000 -0.597 -3.414) 3.466 23.877 ( 0.000 -2.080 0.724) 2.202 24.129 ( 0.000 -3.757 15.310) 15.764 24.169 ( 0.000 -0.250 6.391) 6.396 24.506 ( 0.000 1.805 -5.825) 6.099 24.784 ( 0.000 10.451 -18.563) 21.303 26.423 ( 0.000 -1.403 3.345) 3.628 26.526 ( 0.000 -6.363 1.258) 6.486 26.596 ( 0.000 -5.927 -1.231) 6.053 26.617 ( 0.000 -2.144 -3.658) 4.240 26.816 ( 0.000 6.947 2.247) 7.302 26.935 ( 0.000 9.894 -1.994) 10.093 27.042 ( 0.000 -11.447 19.421) 22.544 27.643 ( 0.000 -1.486 -11.078) 11.177 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.008 ( 12.422 16.081 14.071) 24.716 1.056 ( 13.572 13.426 18.116) 26.318 1.573 ( -1.111 9.235 -2.220) 9.563 1.733 ( 20.540 12.280 7.906) 25.203 1.817 ( 1.395 13.135 -5.762) 14.411 1.865 ( -1.479 5.307 6.798) 8.751 1.945 ( 5.518 8.824 12.871) 16.553 2.133 ( 9.388 7.650 -6.349) 13.673 2.232 ( 4.525 2.532 -10.871) 12.045 2.711 ( -2.442 -5.275 -4.423) 7.304 2.745 ( -1.001 -3.068 -2.115) 3.859 2.860 ( -2.382 -4.440 -1.149) 5.168 2.876 ( 0.597 -3.550 0.275) 3.610 2.961 ( 0.905 -3.181 8.516) 9.136 3.000 ( 5.701 -1.426 1.277) 6.013 3.096 ( 8.661 -1.065 -4.625) 9.876 3.169 ( -3.773 1.746 -0.339) 4.171 3.227 ( 5.340 -1.590 0.979) 5.657 3.256 ( 4.336 -0.382 2.952) 5.260 3.299 ( 2.703 -0.153 0.273) 2.721 3.447 ( 1.845 1.469 -0.843) 2.504 3.524 ( 0.160 -1.537 8.093) 8.240 3.554 ( 8.848 -3.219 4.929) 10.628 3.774 ( -3.266 -5.028 -4.953) 7.777 3.797 ( 1.566 2.338 3.850) 4.769 3.854 ( 9.354 -4.055 -1.655) 10.328 3.889 ( 3.457 0.549 0.135) 3.503 4.055 ( 2.604 -2.558 4.366) 5.691 4.168 ( 0.169 -0.655 0.224) 0.713 4.226 ( 2.167 -0.854 -5.420) 5.900 4.303 ( 2.976 3.706 -0.076) 4.753 4.418 ( 5.934 3.462 2.991) 7.493 4.463 ( 5.750 -0.458 -3.417) 6.704 4.845 ( 3.089 -1.933 -7.867) 8.670 4.911 ( 3.824 -1.889 -1.579) 4.548 5.154 ( 2.302 -6.164 -5.518) 8.587 6.071 ( -5.619 7.533 7.167) 11.819 6.324 ( -1.242 1.832 4.648) 5.148 6.483 ( -11.456 16.526 -10.144) 22.523 6.552 ( -0.325 1.766 -3.658) 4.075 6.743 ( 2.074 3.432 3.403) 5.259 6.936 ( 2.010 1.331 0.985) 2.604 6.978 ( 1.263 4.826 -2.976) 5.809 7.070 ( 0.409 1.483 -1.859) 2.413 7.503 ( -1.960 -5.327 0.438) 5.692 7.509 ( -4.533 -4.148 4.073) 7.371 7.657 ( -2.399 -1.643 0.741) 3.000 7.704 ( -3.370 -1.718 -0.225) 3.789 7.855 ( 0.959 -3.453 6.033) 7.018 7.980 ( 5.624 0.813 5.530) 7.929 8.136 ( 1.665 9.012 2.306) 9.450 8.214 ( 0.137 0.812 -1.331) 1.565 8.401 ( 3.726 -12.368 -2.535) 13.164 8.694 ( 6.316 -15.998 -5.441) 18.040 8.740 ( -0.712 -5.365 0.011) 5.412 8.822 ( 3.034 -0.621 -9.820) 10.297 9.229 ( 2.141 0.802 6.014) 6.434 9.602 ( 2.249 2.328 -8.188) 8.805 10.168 ( -2.255 -6.885 2.255) 7.588 10.227 ( -2.330 0.066 -0.198) 2.340 10.307 ( -5.957 -1.982 6.382) 8.952 10.324 ( -0.755 -2.610 3.039) 4.077 10.432 ( 0.905 -4.671 -0.662) 4.803 10.610 ( -7.785 -2.663 -3.256) 8.849 12.004 ( -4.997 -2.305 12.579) 13.730 12.392 ( -14.780 4.968 -6.429) 16.866 12.635 ( -1.469 -2.925 4.338) 5.434 12.811 ( -1.031 5.351 2.735) 6.098 12.856 ( -3.704 3.886 1.798) 5.662 13.272 ( -4.711 14.847 -10.178) 18.607 13.954 ( -8.503 -4.851 6.725) 11.877 14.452 ( -6.899 -5.017 -12.348) 15.008 14.880 ( 6.761 1.104 4.775) 8.350 15.005 ( -0.696 -1.133 6.336) 6.474 15.358 ( 8.480 -8.282 -1.244) 11.918 15.482 ( -0.467 -3.499 -4.558) 5.765 15.783 ( 7.749 -1.620 2.393) 8.270 15.817 ( 7.498 1.281 1.209) 7.703 15.852 ( 3.716 -0.665 8.590) 9.382 16.313 ( 0.141 -1.788 -6.662) 6.899 23.701 ( -0.032 0.411 2.782) 2.813 23.848 ( -0.640 -0.930 2.730) 2.954 23.864 ( -0.434 -0.326 -2.812) 2.864 23.871 ( -0.356 -1.144 0.550) 1.318 24.090 ( -2.900 -1.028 11.370) 11.779 24.174 ( 0.281 -0.551 6.504) 6.533 24.483 ( -3.182 3.141 -5.452) 7.051 24.643 ( -7.895 9.105 -9.848) 15.563 26.345 ( -5.022 -0.863 2.288) 5.585 26.476 ( -3.709 -1.286 -3.185) 5.055 26.565 ( 0.827 -5.369 1.324) 5.591 26.681 ( -0.000 -3.175 -2.154) 3.837 26.864 ( 0.594 3.151 6.212) 6.990 26.908 ( 3.829 5.561 6.179) 9.152 27.279 ( 9.086 -10.314 -0.445) 13.753 27.646 ( 3.671 -3.014 -13.275) 14.099 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.280 ( 13.867 8.977 5.423) 17.386 1.368 ( 17.242 9.539 12.408) 23.286 1.522 ( -1.867 8.312 -3.368) 9.161 1.748 ( -1.805 16.982 8.826) 19.224 1.898 ( 4.429 5.768 -0.949) 7.334 1.984 ( 5.522 1.506 4.348) 7.188 2.206 ( 2.751 -1.471 -3.419) 4.628 2.336 ( 13.615 3.824 -0.725) 14.161 2.478 ( 16.950 8.186 -2.593) 19.001 2.637 ( 1.515 0.559 2.476) 2.956 2.681 ( -5.962 -5.860 -3.426) 9.034 2.874 ( -3.615 0.315 3.637) 5.138 2.890 ( 4.243 -3.626 -1.845) 5.879 2.961 ( 0.064 1.918 7.529) 7.770 2.991 ( -5.273 2.203 1.574) 5.927 3.134 ( 3.438 -2.486 1.685) 4.565 3.251 ( 2.486 -0.778 3.259) 4.172 3.320 ( 0.921 -0.818 -0.103) 1.236 3.334 ( 4.139 -2.006 -2.051) 5.036 3.386 ( 4.465 -1.465 2.293) 5.228 3.513 ( 8.284 5.134 -1.718) 9.896 3.654 ( 5.621 -2.597 2.252) 6.589 3.704 ( 1.788 -5.987 -0.341) 6.258 3.790 ( 11.225 -3.467 -2.382) 11.987 3.874 ( 6.043 0.494 -1.086) 6.160 3.917 ( 3.377 -0.548 -2.424) 4.193 4.014 ( 3.354 0.457 -0.641) 3.445 4.154 ( 2.361 -1.524 1.982) 3.439 4.186 ( 5.900 7.619 -1.914) 9.824 4.281 ( 2.765 -5.168 -2.135) 6.238 4.451 ( 9.361 1.661 1.956) 9.706 4.543 ( 3.928 -1.404 -3.805) 5.646 4.626 ( 16.089 3.807 4.733) 17.198 4.903 ( 2.550 -2.120 2.412) 4.100 5.087 ( 14.051 -0.689 -9.555) 17.006 5.239 ( 6.757 -4.380 -7.222) 10.817 5.967 ( -4.307 5.183 6.121) 9.104 6.283 ( -4.344 4.053 0.237) 5.946 6.304 ( -4.559 6.390 -0.985) 7.911 6.543 ( -0.553 0.542 -4.095) 4.167 6.777 ( 1.075 4.189 3.256) 5.413 6.972 ( 0.324 4.461 -3.417) 5.629 7.014 ( 3.114 2.378 1.168) 4.089 7.082 ( 0.939 2.209 -1.132) 2.654 7.414 ( -3.331 -1.597 2.962) 4.735 7.466 ( -3.757 -3.629 -2.075) 5.620 7.606 ( -1.900 -5.953 0.954) 6.321 7.670 ( -0.383 -4.104 -0.496) 4.152 7.835 ( -3.559 -3.049 9.211) 10.334 8.092 ( 4.607 1.004 2.805) 5.486 8.166 ( 0.593 6.670 2.664) 7.207 8.222 ( 0.511 0.673 0.605) 1.039 8.454 ( 1.303 -12.685 -2.952) 13.089 8.655 ( -3.877 -1.287 1.512) 4.356 8.753 ( -2.380 -10.963 -6.352) 12.892 8.828 ( -2.262 0.029 -8.183) 8.490 9.282 ( 2.928 0.978 6.405) 7.111 9.653 ( 2.525 3.575 -7.650) 8.814 10.100 ( -7.049 -2.945 4.604) 8.920 10.140 ( -4.446 -3.897 1.728) 6.160 10.192 ( -3.616 -1.985 -1.462) 4.377 10.303 ( -2.793 -4.585 1.300) 5.524 10.422 ( -8.078 -3.250 -0.707) 8.736 10.448 ( -0.656 -5.626 -1.223) 5.794 11.924 ( -2.655 1.781 7.026) 7.719 12.148 ( -9.304 3.556 -3.000) 10.402 12.582 ( -3.383 -2.637 6.723) 7.975 12.658 ( -7.937 11.410 7.531) 15.808 12.906 ( 2.555 -3.591 -5.022) 6.682 13.171 ( -5.414 12.505 -10.419) 17.154 13.774 ( -8.602 -4.384 7.317) 12.114 14.298 ( -7.256 -4.737 -12.601) 15.293 14.969 ( -2.367 -0.378 8.191) 8.535 15.033 ( 7.584 0.851 6.767) 10.200 15.324 ( -6.747 3.116 -1.018) 7.501 15.586 ( 6.520 -2.176 -7.910) 10.479 15.849 ( 1.163 -2.123 9.726) 10.023 16.005 ( 10.559 -2.727 0.569) 10.920 16.040 ( 10.815 -0.909 -0.557) 10.867 16.311 ( -0.395 -1.793 -6.568) 6.820 23.700 ( -0.047 0.423 2.579) 2.614 23.832 ( -0.885 1.581 6.035) 6.301 23.855 ( -0.350 -0.103 -3.069) 3.091 23.869 ( 0.150 -1.016 0.432) 1.114 24.043 ( -1.660 -0.088 4.531) 4.826 24.180 ( 0.313 -0.658 6.186) 6.229 24.399 ( -3.743 4.874 -4.468) 7.598 24.547 ( -3.528 2.765 -7.475) 8.715 26.260 ( -3.373 -0.236 2.379) 4.135 26.429 ( -1.586 -0.864 -4.880) 5.203 26.553 ( -1.530 -5.124 1.737) 5.622 26.653 ( -2.225 -2.556 -1.708) 3.795 26.840 ( -1.270 2.986 8.260) 8.874 27.036 ( 6.019 4.062 3.314) 7.982 27.269 ( -4.874 -2.078 1.247) 5.444 27.804 ( 8.652 -8.284 -15.449) 19.549 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.458 ( 1.854 6.920 -1.002) 7.234 1.520 ( 2.743 6.450 -2.427) 7.417 1.710 ( 14.999 9.167 6.965) 18.908 1.815 ( 10.017 11.291 11.700) 19.098 1.989 ( 3.850 4.327 1.394) 5.957 2.093 ( 5.791 2.501 4.675) 7.851 2.237 ( 0.562 -0.978 -1.953) 2.256 2.377 ( -8.397 -3.229 1.687) 9.154 2.539 ( -3.619 -4.070 -3.841) 6.664 2.580 ( 2.779 2.896 -7.416) 8.433 2.677 ( -11.287 4.188 7.747) 14.316 2.875 ( 5.025 -1.332 0.825) 5.263 2.914 ( -1.524 -0.784 -0.141) 1.720 2.996 ( 3.587 -1.363 2.229) 4.438 3.092 ( 6.765 4.868 4.122) 9.298 3.143 ( 2.307 2.429 5.216) 6.199 3.262 ( -0.121 1.634 4.416) 4.710 3.363 ( 3.701 -1.571 -2.213) 4.589 3.392 ( 3.091 3.654 -5.368) 7.192 3.461 ( 1.536 -2.848 1.010) 3.390 3.563 ( -1.798 -6.119 -6.301) 8.965 3.722 ( 3.530 -4.618 3.124) 6.599 3.750 ( 1.732 -0.558 -3.056) 3.557 3.924 ( -0.040 0.535 -1.596) 1.684 3.980 ( 5.046 -2.956 -1.120) 5.955 4.044 ( 4.952 1.260 -0.779) 5.169 4.101 ( 4.920 -1.701 1.506) 5.420 4.181 ( 2.593 0.225 0.569) 2.665 4.312 ( 1.695 -0.273 1.698) 2.415 4.434 ( 15.394 7.413 -5.072) 17.823 4.498 ( -1.944 1.222 6.039) 6.461 4.693 ( 7.350 -1.665 -2.262) 7.869 4.900 ( 6.780 -2.011 6.685) 9.731 5.027 ( 12.536 3.844 -0.820) 13.138 5.374 ( 10.099 -1.781 -9.201) 13.777 5.414 ( 10.797 -0.730 -9.551) 14.434 5.911 ( -1.471 3.383 5.169) 6.351 6.198 ( -2.621 4.553 -4.197) 6.724 6.260 ( -1.638 0.718 5.253) 5.549 6.534 ( -0.236 -0.540 -4.697) 4.734 6.785 ( -0.083 4.032 3.345) 5.239 6.964 ( -0.616 4.979 -3.104) 5.900 7.082 ( 3.542 1.585 0.570) 3.922 7.122 ( 3.300 2.076 -1.199) 4.079 7.383 ( 0.785 -1.846 2.843) 3.480 7.398 ( -1.463 -1.177 -0.585) 1.966 7.588 ( -0.536 -8.261 1.540) 8.421 7.658 ( -2.510 -2.405 1.352) 3.730 7.698 ( -8.992 -6.073 7.553) 13.221 8.099 ( -4.918 -4.195 -6.516) 9.179 8.174 ( 1.179 11.911 4.964) 12.957 8.233 ( 0.294 -6.593 4.539) 8.010 8.455 ( -0.514 -9.508 -3.634) 10.192 8.573 ( -7.046 -4.873 -6.061) 10.495 8.609 ( -4.591 1.343 1.746) 5.093 8.855 ( 2.841 4.685 -4.376) 7.012 9.333 ( 1.924 0.870 6.912) 7.227 9.704 ( 2.572 3.728 -6.609) 8.012 9.920 ( -8.193 0.145 5.530) 9.886 10.098 ( -1.383 -5.303 -0.560) 5.509 10.146 ( -1.602 -5.065 -3.046) 6.124 10.170 ( -7.231 -2.760 -3.570) 8.523 10.345 ( -1.093 -6.560 4.121) 7.824 10.437 ( -0.789 -6.021 -0.058) 6.073 11.895 ( -0.619 1.802 3.042) 3.589 12.021 ( -3.882 1.511 -2.033) 4.636 12.522 ( -2.342 0.439 7.500) 7.870 12.539 ( -3.879 9.229 8.272) 12.986 12.934 ( 0.621 2.624 -7.432) 7.906 13.069 ( -4.556 4.926 -9.301) 11.469 13.641 ( -4.568 -4.044 7.655) 9.788 14.192 ( -3.422 -4.669 -13.253) 14.462 14.927 ( -1.688 0.619 6.026) 6.289 15.134 ( 0.758 3.491 1.619) 3.923 15.218 ( -1.587 2.346 6.363) 6.965 15.674 ( 2.541 0.759 -3.051) 4.043 15.872 ( 1.087 -0.794 5.636) 5.794 16.177 ( 6.271 -3.531 0.499) 7.214 16.214 ( 6.270 -1.530 -0.778) 6.501 16.300 ( -0.559 -1.759 -6.552) 6.807 23.699 ( -0.048 0.448 2.139) 2.186 23.817 ( -0.581 2.709 7.702) 8.185 23.853 ( 0.099 0.005 -4.033) 4.034 23.873 ( 0.185 -1.179 1.016) 1.568 24.021 ( -0.741 -0.381 0.934) 1.252 24.185 ( 0.216 -0.756 5.892) 5.944 24.360 ( -0.173 3.576 -5.433) 6.506 24.473 ( -3.903 1.562 -6.365) 7.628 26.212 ( -1.588 -0.047 2.932) 3.335 26.404 ( -0.981 -0.866 -4.916) 5.087 26.522 ( -1.289 -4.925 1.815) 5.405 26.608 ( -1.942 -2.742 -1.393) 3.638 26.823 ( -0.464 3.991 6.661) 7.779 27.079 ( -1.514 3.369 -3.059) 4.796 27.228 ( 1.333 1.017 10.002) 10.141 27.932 ( 4.233 -8.530 -14.826) 17.621 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 7.030 -0.511) 7.049 1.544 ( -0.000 8.890 -1.143) 8.963 1.887 ( -0.000 7.093 2.572) 7.544 2.006 ( -0.000 0.277 5.914) 5.920 2.026 ( -0.000 11.157 0.112) 11.158 2.172 ( 0.000 -0.471 6.007) 6.025 2.203 ( 0.000 2.656 8.119) 8.543 2.272 ( 0.000 -6.002 -2.154) 6.377 2.419 ( 0.000 -1.046 7.842) 7.911 2.551 ( 0.000 1.240 1.232) 1.748 2.659 ( -0.000 5.672 -9.721) 11.254 2.869 ( 0.000 1.083 -2.825) 3.026 2.932 ( 0.000 0.353 2.526) 2.550 3.048 ( -0.000 -1.690 2.750) 3.228 3.055 ( 0.000 -2.302 7.527) 7.872 3.248 ( -0.000 1.134 2.229) 2.501 3.261 ( 0.000 6.164 0.928) 6.233 3.427 ( 0.000 -2.556 1.227) 2.836 3.437 ( -0.000 -3.716 -2.203) 4.320 3.457 ( 0.000 10.464 -10.207) 14.618 3.527 ( 0.000 -12.709 -3.117) 13.085 3.761 ( 0.000 0.966 -7.913) 7.972 3.768 ( 0.000 -6.759 3.544) 7.632 3.921 ( 0.000 2.906 0.399) 2.934 4.041 ( 0.000 2.162 -1.215) 2.480 4.097 ( 0.000 -0.789 -0.637) 1.014 4.122 ( 0.000 -4.115 4.774) 6.302 4.203 ( -0.000 -2.941 0.520) 2.987 4.363 ( 0.000 5.064 2.766) 5.770 4.452 ( 0.000 -0.409 9.360) 9.369 4.625 ( 0.000 5.529 -5.942) 8.116 4.751 ( 0.000 -2.819 -4.568) 5.367 4.974 ( 0.000 0.325 8.672) 8.679 5.201 ( 0.000 4.764 -1.728) 5.067 5.444 ( 0.000 -0.485 -8.447) 8.461 5.547 ( 0.000 -0.198 -11.911) 11.913 5.898 ( 0.000 2.810 4.508) 5.312 6.176 ( 0.000 3.434 -3.901) 5.197 6.240 ( 0.000 -0.327 5.987) 5.996 6.533 ( 0.000 -0.777 -5.037) 5.097 6.783 ( 0.000 3.736 3.625) 5.205 6.957 ( 0.000 5.241 -2.873) 5.977 7.129 ( 0.000 0.202 -0.563) 0.598 7.167 ( 0.000 1.321 -2.503) 2.830 7.429 ( 0.000 -3.633 5.389) 6.500 7.467 ( 0.000 3.241 7.446) 8.121 7.470 ( -0.000 -3.126 2.906) 4.268 7.588 ( 0.000 -12.140 2.670) 12.430 7.629 ( -0.000 -1.961 -1.622) 2.545 8.009 ( 0.000 -8.945 -8.946) 12.651 8.187 ( 0.000 11.626 3.741) 12.213 8.233 ( 0.000 -9.404 5.053) 10.676 8.456 ( 0.000 -9.869 -3.105) 10.346 8.477 ( 0.000 2.722 -7.296) 7.787 8.581 ( 0.000 4.674 5.398) 7.140 8.889 ( 0.000 3.956 -5.057) 6.420 9.352 ( 0.000 0.572 7.135) 7.158 9.735 ( 0.000 3.675 -6.680) 7.624 9.832 ( 0.000 0.842 5.219) 5.287 10.082 ( 0.000 -5.047 -0.958) 5.137 10.085 ( 0.000 -1.366 -3.777) 4.017 10.138 ( 0.000 -7.703 -3.290) 8.376 10.335 ( 0.000 -7.719 4.631) 9.002 10.428 ( 0.000 -5.672 0.544) 5.698 11.890 ( 0.000 1.376 1.658) 2.154 11.984 ( 0.000 0.764 -1.819) 1.972 12.497 ( 0.000 12.986 6.947) 14.727 12.503 ( -0.000 -3.099 10.061) 10.527 12.942 ( 0.000 14.484 -9.194) 17.156 13.015 ( -0.000 -6.980 -8.585) 11.064 13.596 ( 0.000 -3.906 7.802) 8.725 14.159 ( -0.000 -4.676 -13.576) 14.359 14.909 ( 0.000 0.907 5.036) 5.117 15.113 ( 0.000 6.918 -2.547) 7.372 15.228 ( 0.000 -0.599 11.485) 11.501 15.697 ( 0.000 1.404 -0.469) 1.481 15.884 ( 0.000 -0.073 3.408) 3.408 16.240 ( 0.000 -3.720 0.523) 3.757 16.277 ( -0.000 -1.600 -0.811) 1.794 16.294 ( 0.000 -1.743 -6.569) 6.796 23.699 ( -0.000 0.460 1.881) 1.936 23.811 ( 0.000 2.902 8.000) 8.510 23.855 ( -0.000 0.052 -4.540) 4.541 23.875 ( -0.000 -1.281 1.441) 1.928 24.013 ( -0.000 -0.456 0.130) 0.474 24.187 ( 0.000 -0.805 5.767) 5.822 24.375 ( 0.000 3.273 -8.555) 9.160 24.417 ( -0.000 1.254 -3.244) 3.477 26.196 ( 0.000 -0.012 3.175) 3.175 26.394 ( 0.000 -0.858 -4.652) 4.730 26.509 ( -0.000 -4.824 1.645) 5.096 26.588 ( 0.000 -2.825 -1.242) 3.086 26.819 ( 0.000 4.346 5.959) 7.376 27.055 ( 0.000 3.779 -3.159) 4.925 27.251 ( 0.000 1.237 10.994) 11.063 27.973 ( 0.000 -8.490 -14.530) 16.829 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 22.922 12.524) 26.120 1.276 ( 0.000 17.565 13.766) 22.317 1.817 ( 0.000 18.055 2.184) 18.187 1.840 ( 0.000 -1.117 4.101) 4.251 1.904 ( 0.000 12.452 -6.239) 13.928 2.027 ( 0.000 9.682 -15.541) 18.310 2.160 ( 0.000 -1.852 -10.264) 10.430 2.217 ( 0.000 5.307 -13.387) 14.400 2.252 ( 0.000 16.270 14.139) 21.555 2.663 ( 0.000 0.769 1.405) 1.602 2.699 ( 0.000 -5.582 0.748) 5.632 2.755 ( 0.000 -5.736 -5.051) 7.643 2.791 ( 0.000 -7.225 -2.032) 7.505 2.851 ( 0.000 -2.672 12.441) 12.725 2.903 ( 0.000 -8.847 -3.678) 9.581 2.905 ( 0.000 -3.314 4.374) 5.487 3.088 ( 0.000 1.351 1.325) 1.892 3.151 ( 0.000 -0.457 0.319) 0.558 3.238 ( 0.000 1.120 -0.321) 1.165 3.354 ( 0.000 0.134 -2.949) 2.952 3.378 ( 0.000 -3.429 7.091) 7.877 3.420 ( 0.000 3.619 3.176) 4.815 3.544 ( 0.000 1.861 12.137) 12.279 3.683 ( 0.000 -7.135 -6.433) 9.607 3.707 ( 0.000 -0.707 -3.630) 3.698 3.832 ( 0.000 1.005 8.535) 8.594 3.938 ( 0.000 5.779 -3.378) 6.694 3.944 ( 0.000 -4.682 3.343) 5.753 4.052 ( 0.000 -3.978 0.174) 3.982 4.308 ( 0.000 4.311 -3.687) 5.673 4.370 ( 0.000 0.024 0.560) 0.560 4.378 ( 0.000 6.186 2.809) 6.793 4.473 ( 0.000 3.880 -3.494) 5.221 4.779 ( 0.000 -6.280 5.941) 8.645 4.784 ( 0.000 -1.786 -12.950) 13.073 4.953 ( 0.000 -10.626 -2.077) 10.827 6.327 ( 0.000 8.264 10.596) 13.438 6.393 ( 0.000 3.263 4.009) 5.169 6.630 ( 0.000 5.492 -4.220) 6.926 6.778 ( 0.000 3.386 3.741) 5.046 6.832 ( 0.000 2.834 -5.587) 6.265 7.022 ( 0.000 3.267 -3.979) 5.148 7.022 ( 0.000 2.904 -3.470) 4.525 7.104 ( 0.000 2.450 -3.348) 4.149 7.386 ( 0.000 -4.466 2.153) 4.958 7.514 ( 0.000 -2.597 -2.820) 3.833 7.596 ( 0.000 -12.087 11.809) 16.898 7.756 ( 0.000 0.907 0.686) 1.137 7.777 ( 0.000 2.204 -0.110) 2.207 7.881 ( 0.000 -3.015 3.324) 4.487 8.036 ( 0.000 -13.566 -8.740) 16.137 8.079 ( 0.000 -15.162 -2.629) 15.389 8.356 ( 0.000 12.412 0.829) 12.439 8.469 ( 0.000 11.202 -4.015) 11.900 8.686 ( 0.000 -2.753 1.171) 2.992 8.830 ( 0.000 0.573 -6.741) 6.766 9.232 ( 0.000 2.047 6.492) 6.807 9.624 ( 0.000 2.900 -7.797) 8.318 9.910 ( 0.000 -17.031 5.893) 18.022 10.126 ( 0.000 -11.111 -2.710) 11.436 10.336 ( 0.000 -0.667 4.074) 4.128 10.339 ( 0.000 -1.731 8.306) 8.484 10.408 ( 0.000 2.077 0.073) 2.078 10.615 ( 0.000 -4.378 -2.649) 5.117 12.080 ( 0.000 6.049 11.232) 12.757 12.540 ( 0.000 -5.009 3.495) 6.108 12.663 ( 0.000 1.390 -12.892) 12.966 12.749 ( 0.000 -0.667 -3.912) 3.968 13.202 ( 0.000 12.767 8.868) 15.545 13.645 ( 0.000 15.601 -9.218) 18.121 13.905 ( 0.000 -9.115 6.624) 11.268 14.385 ( 0.000 -8.363 -11.904) 14.548 14.832 ( 0.000 1.008 5.023) 5.123 14.970 ( 0.000 -7.698 12.097) 14.339 15.055 ( 0.000 3.497 -4.104) 5.392 15.362 ( 0.000 -6.256 -5.059) 8.046 15.703 ( 0.000 0.832 3.340) 3.442 15.801 ( 0.000 -1.622 10.375) 10.501 15.865 ( 0.000 7.282 -2.557) 7.718 16.255 ( 0.000 -3.892 -6.587) 7.651 23.717 ( 0.000 1.195 2.348) 2.635 23.837 ( 0.000 -1.801 0.529) 1.877 23.849 ( 0.000 0.181 0.422) 0.460 23.857 ( 0.000 -0.430 -3.007) 3.038 24.108 ( 0.000 0.395 14.286) 14.291 24.161 ( 0.000 -0.585 7.553) 7.575 24.561 ( 0.000 3.732 -6.965) 7.902 24.852 ( 0.000 -1.761 -15.605) 15.704 26.385 ( 0.000 -2.067 3.566) 4.122 26.420 ( 0.000 -4.233 1.656) 4.545 26.510 ( 0.000 -2.751 -1.541) 3.154 26.568 ( 0.000 -2.770 -3.336) 4.336 26.934 ( 0.000 4.682 3.613) 5.914 26.953 ( 0.000 0.253 14.169) 14.171 27.128 ( 0.000 9.264 -3.264) 9.823 27.552 ( 0.000 -6.066 -9.682) 11.425 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.348 ( 7.816 15.866 10.678) 20.660 1.391 ( 9.088 20.337 9.793) 24.333 1.824 ( -4.287 13.363 -6.160) 15.326 1.869 ( 2.689 -1.246 4.078) 5.041 1.942 ( 7.122 9.357 -5.817) 13.120 2.091 ( 7.645 11.074 -3.780) 13.977 2.156 ( 0.282 1.680 -6.596) 6.813 2.238 ( 1.374 12.665 8.282) 15.195 2.407 ( 13.748 5.936 -8.189) 17.067 2.624 ( -3.360 -2.891 -1.421) 4.655 2.693 ( -4.867 -4.360 -2.823) 7.118 2.752 ( 1.171 -2.946 -3.477) 4.706 2.787 ( 5.005 -4.289 2.759) 7.146 2.895 ( 1.983 -3.582 9.229) 10.097 2.956 ( 4.625 -4.718 1.466) 6.768 2.995 ( 7.483 -6.291 -0.324) 9.782 3.177 ( 6.732 0.927 0.091) 6.796 3.206 ( 3.438 1.927 2.183) 4.505 3.266 ( 2.520 0.788 0.715) 2.736 3.359 ( -0.184 3.749 6.064) 7.132 3.453 ( 9.259 -1.754 -1.595) 9.557 3.483 ( 5.907 -3.461 3.741) 7.802 3.531 ( -0.411 4.322 8.397) 9.453 3.659 ( -0.672 -5.584 -5.209) 7.666 3.771 ( 4.279 -3.497 -1.125) 5.640 3.887 ( 3.850 -0.850 2.129) 4.481 3.895 ( 2.486 5.932 1.547) 6.615 3.984 ( 2.311 -3.488 2.187) 4.721 4.126 ( 5.427 -2.123 -1.606) 6.045 4.295 ( 0.310 4.957 -3.711) 6.200 4.397 ( 2.674 5.727 -0.362) 6.331 4.459 ( 7.450 -0.139 0.627) 7.478 4.493 ( 1.769 3.602 -0.500) 4.044 4.772 ( 1.170 -5.643 1.573) 5.974 4.857 ( 6.073 -3.445 -6.979) 9.873 4.989 ( 3.707 -9.646 -2.784) 10.702 6.233 ( -7.423 7.632 9.078) 13.992 6.370 ( -2.335 2.345 3.841) 5.070 6.609 ( -2.053 4.024 -4.445) 6.337 6.714 ( -12.165 6.457 -8.756) 16.320 6.830 ( 3.438 4.862 3.741) 7.033 6.965 ( 2.353 1.280 1.916) 3.293 7.092 ( 2.189 4.957 -3.514) 6.459 7.112 ( 0.774 2.980 -2.727) 4.113 7.377 ( -0.785 -5.304 2.445) 5.893 7.442 ( -4.173 -3.292 2.917) 6.064 7.598 ( -1.221 -6.432 1.502) 6.716 7.681 ( -6.978 0.556 -2.204) 7.339 7.791 ( 1.314 -1.231 3.761) 4.169 7.936 ( 4.154 -4.695 2.935) 6.922 8.077 ( 2.124 -16.981 -3.033) 17.380 8.121 ( 3.908 -10.556 -4.160) 12.000 8.367 ( 0.978 12.576 1.512) 12.704 8.558 ( 6.214 6.185 -5.898) 10.567 8.686 ( 0.020 -1.083 1.721) 2.033 8.852 ( 1.913 1.243 -6.585) 6.969 9.249 ( 1.677 1.410 6.583) 6.938 9.641 ( 1.646 1.866 -7.801) 8.188 9.903 ( -0.840 -16.915 5.294) 17.744 10.118 ( -1.059 -11.527 -3.252) 12.023 10.271 ( -6.246 -1.042 6.974) 9.420 10.302 ( -3.041 -1.314 3.646) 4.926 10.387 ( -2.232 0.793 0.717) 2.475 10.544 ( -6.923 -3.764 -2.532) 8.277 12.058 ( -1.966 6.701 9.341) 11.662 12.475 ( -8.390 2.099 -4.262) 9.642 12.567 ( -4.719 -2.423 0.095) 5.305 12.782 ( 1.648 -2.952 -4.671) 5.766 13.098 ( -8.541 14.060 8.362) 18.454 13.571 ( -6.072 14.781 -10.418) 19.076 13.818 ( -7.821 -8.675 7.002) 13.617 14.313 ( -6.846 -8.839 -12.122) 16.491 14.901 ( 6.410 0.863 6.473) 9.151 14.964 ( 0.714 -2.549 9.959) 10.305 15.255 ( 14.826 -1.317 -4.303) 15.494 15.416 ( 3.304 -3.531 -5.827) 7.572 15.760 ( 4.906 -0.542 4.027) 6.371 15.818 ( 2.222 -1.404 8.592) 8.985 15.898 ( 4.163 5.276 -1.956) 6.999 16.256 ( -0.008 -4.016 -6.542) 7.676 23.717 ( -0.020 1.203 2.368) 2.656 23.837 ( 0.010 -1.889 0.572) 1.974 23.848 ( 0.043 0.179 -0.898) 0.917 23.862 ( 0.370 0.099 -1.477) 1.526 24.090 ( -1.680 0.813 12.427) 12.566 24.161 ( 0.002 -0.769 7.434) 7.474 24.544 ( -1.839 3.557 -6.625) 7.741 24.748 ( -8.268 1.159 -12.196) 14.780 26.326 ( -3.838 -0.779 2.480) 4.635 26.422 ( -1.185 -3.866 1.296) 4.246 26.484 ( -1.186 -2.457 -2.077) 3.429 26.593 ( 0.400 -5.004 -2.785) 5.741 26.926 ( -0.347 3.505 8.783) 9.463 27.005 ( 4.829 3.500 6.209) 8.609 27.219 ( 5.852 3.045 -2.720) 7.135 27.553 ( 1.268 -5.571 -9.630) 11.197 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.519 ( 8.189 12.999 2.730) 15.604 1.596 ( 11.016 13.747 6.569) 18.801 1.743 ( -1.906 12.252 -3.644) 12.924 1.933 ( 3.376 -0.650 4.121) 5.367 2.073 ( 6.271 6.973 -6.026) 11.147 2.140 ( -0.693 18.928 10.954) 21.880 2.169 ( 1.131 -2.135 -5.366) 5.885 2.440 ( 12.766 5.310 0.446) 13.833 2.521 ( -4.796 -3.083 -1.781) 5.973 2.573 ( -5.909 -5.251 -0.749) 7.941 2.679 ( 9.802 3.128 -5.111) 11.489 2.792 ( 4.084 -4.420 -6.025) 8.516 2.866 ( -0.773 -1.944 6.367) 6.702 3.002 ( 7.628 -3.551 0.375) 8.422 3.021 ( 0.523 0.581 0.973) 1.248 3.071 ( 0.380 -6.219 2.525) 6.723 3.241 ( 4.354 3.417 6.153) 8.276 3.294 ( 4.596 0.758 -1.057) 4.777 3.320 ( 2.823 -0.232 1.493) 3.202 3.399 ( 0.412 2.999 3.442) 4.584 3.530 ( -0.603 -2.950 2.077) 3.658 3.624 ( 8.294 0.793 0.419) 8.342 3.680 ( 4.904 1.762 -3.853) 6.480 3.708 ( 11.886 -2.353 2.020) 12.284 3.835 ( 3.784 -1.670 -0.143) 4.138 3.961 ( 3.857 2.368 -1.555) 4.786 4.007 ( 5.398 -1.581 0.946) 5.703 4.090 ( 6.175 -4.726 2.270) 8.100 4.232 ( 5.509 1.346 -0.261) 5.677 4.355 ( 7.308 7.699 -4.515) 11.535 4.506 ( 7.649 3.574 -0.568) 8.462 4.530 ( 2.979 1.505 -1.281) 3.575 4.683 ( 13.128 1.695 5.791) 14.448 4.830 ( 6.588 -4.913 2.992) 8.746 5.048 ( 13.341 -3.725 -6.541) 15.318 5.112 ( 9.432 -7.941 -4.483) 13.120 6.094 ( -5.996 6.921 6.578) 11.275 6.312 ( -3.273 0.614 3.476) 4.813 6.469 ( -10.789 6.878 -6.324) 14.273 6.558 ( -2.808 0.941 -5.001) 5.812 6.885 ( 1.681 6.318 3.717) 7.521 7.043 ( 4.082 2.423 0.963) 4.844 7.104 ( -0.368 6.044 -2.572) 6.579 7.147 ( 2.216 3.833 -1.949) 4.837 7.357 ( -1.257 -5.594 2.622) 6.305 7.375 ( -2.534 -2.468 1.344) 3.784 7.527 ( -6.122 -5.027 -0.218) 7.925 7.576 ( -2.265 -2.441 -2.619) 4.237 7.784 ( -2.544 -1.195 5.908) 6.542 7.996 ( 1.159 -7.897 0.728) 8.015 8.088 ( -1.591 -15.160 -1.161) 15.287 8.189 ( 2.330 -10.916 -3.926) 11.832 8.394 ( 1.715 13.135 2.860) 13.552 8.633 ( 1.101 5.499 -5.853) 8.106 8.686 ( -0.054 2.201 2.791) 3.555 8.894 ( 2.341 3.119 -5.031) 6.365 9.290 ( 2.179 -0.218 7.073) 7.405 9.683 ( 2.381 -0.114 -7.185) 7.570 9.877 ( -1.561 -16.606 3.726) 17.090 10.071 ( -3.595 -10.795 -4.219) 12.135 10.114 ( -9.032 0.017 5.672) 10.666 10.240 ( -2.978 -3.590 2.291) 5.196 10.323 ( -4.730 -2.271 0.396) 5.262 10.376 ( -8.061 -2.534 -1.808) 8.641 12.016 ( -2.010 7.200 5.829) 9.479 12.277 ( -9.354 8.636 -4.417) 13.476 12.496 ( -3.268 -5.565 5.871) 8.725 12.803 ( 0.451 -6.161 -5.350) 8.173 12.934 ( -7.044 14.444 7.648) 17.798 13.440 ( -6.868 13.915 -11.128) 19.095 13.649 ( -8.110 -7.994 7.331) 13.543 14.164 ( -7.022 -8.612 -12.405) 16.654 14.969 ( -0.405 0.499 9.573) 9.595 15.045 ( 7.008 0.051 9.189) 11.557 15.403 ( -1.926 4.445 -4.808) 6.826 15.544 ( 10.532 -1.693 -7.896) 13.272 15.820 ( 2.009 -0.554 8.972) 9.211 15.940 ( 8.470 -3.457 1.926) 9.348 16.032 ( 8.268 0.455 -1.533) 8.422 16.252 ( -0.390 -4.090 -6.419) 7.621 23.716 ( -0.030 1.214 2.310) 2.610 23.837 ( 0.025 -1.976 0.691) 2.094 23.852 ( 0.268 0.323 -2.259) 2.297 23.868 ( 0.245 1.022 0.772) 1.304 24.052 ( -1.856 1.204 8.424) 8.710 24.162 ( 0.024 -1.186 7.114) 7.212 24.487 ( -3.515 3.957 -5.701) 7.779 24.603 ( -5.847 1.968 -9.148) 11.034 26.258 ( -2.909 0.140 2.471) 3.819 26.395 ( -1.205 -2.850 -0.912) 3.226 26.453 ( -2.010 -3.905 -0.459) 4.416 26.572 ( -2.070 -5.221 -2.526) 6.158 26.927 ( 0.348 5.552 7.228) 9.121 27.113 ( 5.265 2.817 4.573) 7.521 27.259 ( -1.269 1.826 -1.648) 2.768 27.634 ( 5.847 -8.230 -9.913) 14.149 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.645 ( 1.929 10.902 -3.401) 11.582 1.672 ( 2.439 8.515 -3.436) 9.500 1.895 ( 12.358 8.910 6.153) 16.431 1.994 ( 2.945 1.347 4.334) 5.410 2.156 ( 2.432 11.904 8.370) 14.754 2.182 ( 1.043 2.490 -3.488) 4.410 2.193 ( 4.750 3.009 -0.375) 5.635 2.372 ( -7.731 2.403 1.972) 8.332 2.450 ( -5.938 -2.445 -2.070) 6.747 2.673 ( 8.519 3.149 -2.007) 9.302 2.754 ( -7.071 3.077 8.615) 11.562 2.830 ( 6.103 -0.030 -2.727) 6.684 2.902 ( 0.796 -1.752 -2.269) 2.975 2.968 ( 1.089 0.237 0.556) 1.246 3.041 ( -2.245 -4.859 2.647) 5.971 3.174 ( 5.131 -10.858 -3.182) 12.424 3.281 ( -0.545 1.549 0.067) 1.643 3.353 ( 1.739 -1.408 -0.634) 2.325 3.376 ( 1.279 -5.173 -1.117) 5.445 3.441 ( 2.787 7.968 4.705) 9.664 3.534 ( 2.211 -0.126 -2.171) 3.101 3.644 ( -1.779 -2.250 1.501) 3.238 3.799 ( 4.840 5.874 -3.737) 8.480 3.906 ( 3.387 -3.051 -0.891) 4.645 3.938 ( 8.684 0.211 2.095) 8.935 4.026 ( 0.389 -4.331 0.401) 4.367 4.072 ( 2.725 0.116 0.009) 2.727 4.154 ( 0.599 -2.771 -0.786) 2.942 4.350 ( 6.123 3.530 3.735) 7.995 4.530 ( 0.278 2.724 3.975) 4.826 4.583 ( 9.000 4.735 -5.944) 11.779 4.669 ( 5.917 -0.106 -1.485) 6.101 4.886 ( 10.339 2.142 9.407) 14.141 5.099 ( 16.261 3.004 -0.327) 16.539 5.328 ( 11.839 -3.132 -4.959) 13.212 5.356 ( 13.043 -5.258 -4.612) 14.800 6.010 ( -2.396 6.139 3.679) 7.547 6.248 ( -2.892 -0.463 2.824) 4.069 6.311 ( -5.302 4.622 -4.643) 8.428 6.513 ( -1.375 -1.755 -6.013) 6.413 6.896 ( -0.306 6.853 3.965) 7.923 7.082 ( 0.121 6.124 -2.410) 6.582 7.117 ( 1.633 1.695 1.258) 2.669 7.185 ( 1.493 3.695 -1.524) 4.267 7.333 ( -0.628 -3.993 2.012) 4.515 7.345 ( -0.398 -3.059 0.945) 3.227 7.430 ( -3.537 -5.932 1.505) 7.069 7.545 ( -1.019 -6.284 -2.747) 6.934 7.689 ( -6.178 2.133 4.683) 8.040 7.933 ( -8.629 -10.231 -4.601) 14.153 8.039 ( -1.227 -11.085 3.004) 11.550 8.214 ( 0.507 -12.508 -3.390) 12.969 8.428 ( 1.518 13.631 2.887) 14.016 8.628 ( -0.700 9.213 -4.942) 10.478 8.686 ( 0.044 4.831 4.673) 6.721 8.941 ( 2.152 3.815 -4.278) 6.123 9.323 ( 1.014 -1.972 7.803) 8.112 9.729 ( 2.182 -1.518 -6.636) 7.148 9.853 ( -0.663 -16.445 1.977) 16.577 9.948 ( -6.836 1.169 4.343) 8.183 9.996 ( -3.499 -10.084 -4.566) 11.609 10.151 ( -6.133 0.413 -2.834) 6.769 10.217 ( -2.804 -6.841 3.725) 8.279 10.297 ( -1.802 -5.177 -0.232) 5.487 11.984 ( -1.113 6.875 3.102) 7.624 12.137 ( -4.655 9.601 -2.593) 10.981 12.439 ( -2.237 -5.622 7.108) 9.334 12.799 ( -0.907 2.428 -0.780) 2.707 12.841 ( -2.133 2.877 1.627) 3.934 13.314 ( -5.419 14.829 -10.460) 18.938 13.525 ( -4.255 -7.628 7.554) 11.548 14.059 ( -3.479 -8.570 -12.915) 15.885 14.953 ( -0.848 2.228 8.318) 8.653 15.155 ( 3.934 -1.395 11.554) 12.285 15.340 ( -3.326 9.237 -4.623) 10.851 15.691 ( 4.390 0.607 -5.890) 7.371 15.864 ( 2.186 0.364 5.919) 6.320 16.086 ( 5.544 -5.250 1.579) 7.797 16.177 ( 5.597 -1.955 -1.586) 6.137 16.243 ( -0.445 -3.861 -6.228) 7.342 23.715 ( -0.035 1.222 2.072) 2.406 23.839 ( 0.095 -2.046 1.108) 2.329 23.857 ( 0.203 0.340 -3.450) 3.472 23.871 ( 0.019 1.981 2.994) 3.590 24.023 ( -1.033 1.047 4.931) 5.145 24.162 ( 0.024 -1.578 6.762) 6.944 24.436 ( -1.190 3.607 -5.555) 6.730 24.508 ( -4.007 1.603 -7.605) 8.745 26.215 ( -1.457 0.479 2.744) 3.144 26.378 ( -0.526 -2.047 -2.359) 3.168 26.414 ( -1.645 -4.848 0.989) 5.214 26.530 ( -1.842 -4.850 -2.032) 5.572 26.936 ( 0.424 6.994 5.599) 8.969 27.174 ( 0.136 5.729 -2.026) 6.078 27.242 ( 1.012 0.318 5.950) 6.044 27.732 ( 3.486 -10.768 -10.061) 15.144 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 10.054 -2.712) 10.413 1.717 ( -0.000 8.271 -5.498) 9.932 2.014 ( -0.000 -0.063 2.682) 2.683 2.101 ( -0.000 11.087 6.101) 12.654 2.139 ( -0.000 -5.250 -0.401) 5.265 2.204 ( -0.000 1.437 0.236) 1.457 2.271 ( 0.000 11.133 11.302) 15.864 2.287 ( -0.000 8.259 -0.860) 8.303 2.349 ( 0.000 -3.124 -1.912) 3.663 2.652 ( 0.000 6.928 9.911) 12.092 2.800 ( -0.000 7.712 -6.966) 10.392 2.847 ( 0.000 -2.622 -0.461) 2.663 2.921 ( 0.000 -1.045 1.125) 1.535 2.990 ( -0.000 -3.966 3.226) 5.112 3.011 ( 0.000 -2.191 0.529) 2.254 3.223 ( 0.000 -13.715 -6.393) 15.132 3.283 ( 0.000 0.193 -0.399) 0.443 3.350 ( -0.000 -4.534 0.926) 4.627 3.392 ( -0.000 -2.085 -3.312) 3.913 3.459 ( 0.000 11.140 3.581) 11.701 3.579 ( 0.000 -0.033 -9.102) 9.102 3.617 ( 0.000 -6.458 9.397) 11.403 3.846 ( -0.000 7.880 -6.518) 10.226 3.944 ( -0.000 -0.930 -3.908) 4.017 4.009 ( 0.000 -7.024 4.275) 8.223 4.059 ( 0.000 0.188 1.409) 1.421 4.102 ( 0.000 0.723 0.042) 0.724 4.132 ( -0.000 -3.398 -0.381) 3.419 4.449 ( -0.000 0.213 7.508) 7.511 4.475 ( 0.000 4.886 4.098) 6.377 4.699 ( -0.000 -1.533 -3.265) 3.607 4.717 ( 0.000 2.451 -4.855) 5.439 5.023 ( 0.000 5.788 9.312) 10.964 5.313 ( -0.000 5.573 -0.093) 5.574 5.429 ( 0.000 -0.958 -5.609) 5.690 5.502 ( 0.000 -4.572 -3.525) 5.773 5.991 ( 0.000 5.987 1.237) 6.113 6.218 ( 0.000 -1.938 3.858) 4.317 6.254 ( 0.000 4.126 -4.762) 6.300 6.503 ( 0.000 -2.514 -6.921) 7.363 6.889 ( 0.000 6.774 4.677) 8.232 7.087 ( 0.000 7.121 -2.332) 7.493 7.132 ( 0.000 -0.171 1.131) 1.144 7.202 ( 0.000 1.972 -1.515) 2.486 7.346 ( -0.000 -4.295 2.722) 5.085 7.349 ( 0.000 -7.933 3.710) 8.757 7.385 ( -0.000 -4.855 0.776) 4.917 7.531 ( 0.000 -5.997 -2.918) 6.669 7.614 ( 0.000 4.138 2.241) 4.706 7.796 ( 0.000 -7.036 -4.882) 8.564 8.030 ( 0.000 -10.561 3.424) 11.102 8.218 ( 0.000 -12.845 -3.199) 13.237 8.444 ( 0.000 13.915 2.379) 14.117 8.621 ( 0.000 10.825 -4.493) 11.720 8.686 ( 0.000 5.459 5.507) 7.754 8.965 ( 0.000 3.542 -4.323) 5.588 9.332 ( 0.000 -2.725 8.127) 8.572 9.756 ( 0.000 -2.275 -7.129) 7.483 9.852 ( 0.000 -17.836 0.723) 17.851 9.873 ( -0.000 3.355 4.408) 5.539 9.955 ( 0.000 -10.340 -4.329) 11.210 10.083 ( 0.000 1.666 -3.275) 3.674 10.191 ( 0.000 -7.091 4.446) 8.369 10.280 ( 0.000 -6.624 -0.145) 6.626 11.973 ( 0.000 6.604 2.074) 6.922 12.092 ( 0.000 9.609 -2.118) 9.840 12.416 ( 0.000 -5.604 7.710) 9.531 12.784 ( 0.000 14.977 7.199) 16.618 12.828 ( 0.000 -11.380 -7.134) 13.431 13.254 ( 0.000 16.045 -9.902) 18.855 13.483 ( 0.000 -7.464 7.631) 10.675 14.026 ( -0.000 -8.675 -13.146) 15.750 14.944 ( 0.000 2.728 7.729) 8.196 15.196 ( -0.000 -2.834 13.382) 13.679 15.301 ( 0.000 11.528 -5.393) 12.727 15.732 ( 0.000 1.604 -4.116) 4.418 15.889 ( 0.000 0.688 3.697) 3.760 16.143 ( 0.000 -5.753 1.592) 5.970 16.234 ( -0.000 -2.534 -1.629) 3.012 16.238 ( 0.000 -3.643 -6.110) 7.114 23.715 ( -0.000 1.226 1.914) 2.273 23.840 ( -0.000 -2.175 1.548) 2.670 23.859 ( -0.000 0.426 -4.066) 4.088 23.871 ( 0.000 2.371 3.826) 4.501 24.013 ( -0.000 0.899 3.654) 3.763 24.162 ( 0.000 -1.733 6.604) 6.828 24.444 ( 0.000 3.082 -8.306) 8.859 24.448 ( -0.000 1.746 -4.367) 4.703 26.200 ( 0.000 0.563 2.862) 2.917 26.373 ( 0.000 -0.924 -3.660) 3.775 26.396 ( -0.000 -5.952 2.329) 6.392 26.510 ( 0.000 -4.641 -1.797) 4.976 26.940 ( 0.000 7.487 4.972) 8.988 27.165 ( 0.000 7.290 -3.344) 8.021 27.261 ( 0.000 -0.688 7.738) 7.768 27.766 ( 0.000 -11.525 -10.056) 15.295 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 12.887 6.660) 14.506 1.709 ( 0.000 20.839 6.504) 21.830 1.773 ( 0.000 -6.270 3.367) 7.116 2.006 ( 0.000 -4.392 -4.606) 6.365 2.093 ( 0.000 6.052 -4.681) 7.651 2.140 ( 0.000 -0.351 -11.969) 11.974 2.204 ( 0.000 6.132 -9.058) 10.939 2.228 ( 0.000 0.508 -4.739) 4.766 2.485 ( 0.000 7.099 0.071) 7.100 2.595 ( 0.000 -4.183 -1.584) 4.473 2.626 ( 0.000 2.880 4.451) 5.302 2.646 ( 0.000 -5.598 -3.977) 6.867 2.718 ( 0.000 -7.875 -5.137) 9.402 2.765 ( 0.000 1.546 1.357) 2.057 2.789 ( 0.000 -5.102 8.468) 9.886 2.808 ( 0.000 -4.973 5.005) 7.056 3.159 ( 0.000 1.307 2.377) 2.713 3.173 ( 0.000 1.838 1.723) 2.519 3.276 ( 0.000 2.443 1.485) 2.859 3.323 ( 0.000 -2.239 -0.040) 2.240 3.374 ( 0.000 4.551 3.792) 5.924 3.475 ( 0.000 -2.468 0.796) 2.593 3.590 ( 0.000 1.170 -3.223) 3.429 3.657 ( 0.000 -0.718 -2.797) 2.887 3.696 ( 0.000 9.337 9.858) 13.578 3.843 ( 0.000 0.954 5.308) 5.393 3.863 ( 0.000 -3.580 3.032) 4.691 3.939 ( 0.000 -8.128 3.946) 9.035 4.098 ( 0.000 9.644 -0.195) 9.646 4.296 ( 0.000 -8.323 2.064) 8.575 4.396 ( 0.000 4.352 -2.216) 4.884 4.477 ( 0.000 -3.572 -2.485) 4.351 4.529 ( 0.000 8.972 0.418) 8.982 4.691 ( 0.000 -3.096 -0.036) 3.096 4.750 ( 0.000 -1.781 -7.615) 7.820 4.752 ( 0.000 -7.128 -0.363) 7.137 6.437 ( 0.000 2.766 9.666) 10.054 6.445 ( 0.000 1.534 6.021) 6.214 6.765 ( 0.000 6.960 -4.173) 8.115 6.843 ( 0.000 -1.312 -2.025) 2.413 6.850 ( 0.000 4.551 3.484) 5.732 6.979 ( 0.000 -6.285 0.033) 6.285 7.087 ( 0.000 2.665 -4.595) 5.312 7.122 ( 0.000 -0.725 -3.959) 4.025 7.345 ( 0.000 0.464 2.758) 2.796 7.406 ( 0.000 -6.073 5.599) 8.261 7.520 ( 0.000 3.891 -3.888) 5.501 7.694 ( 0.000 -13.848 -4.668) 14.614 7.778 ( 0.000 1.433 0.927) 1.706 7.819 ( 0.000 -2.835 1.094) 3.039 7.843 ( 0.000 4.383 -1.671) 4.691 7.942 ( 0.000 -5.449 -4.733) 7.218 8.570 ( 0.000 7.888 0.184) 7.890 8.653 ( 0.000 -1.519 1.006) 1.822 8.681 ( 0.000 9.287 -5.186) 10.637 8.808 ( 0.000 -3.386 -6.851) 7.642 9.321 ( 0.000 8.137 7.093) 10.795 9.570 ( 0.000 -16.168 6.660) 17.486 9.708 ( 0.000 6.147 -7.076) 9.373 9.885 ( 0.000 -11.528 -5.011) 12.570 10.315 ( 0.000 -0.542 7.598) 7.618 10.318 ( 0.000 -0.786 6.274) 6.323 10.461 ( 0.000 3.076 -0.405) 3.102 10.530 ( 0.000 -3.960 -1.494) 4.233 12.242 ( 0.000 9.181 7.436) 11.815 12.413 ( 0.000 -7.707 5.071) 9.225 12.695 ( 0.000 1.793 -9.606) 9.772 12.728 ( 0.000 -1.418 -6.269) 6.428 13.458 ( 0.000 12.742 8.585) 15.364 13.699 ( 0.000 -11.469 7.462) 13.683 13.938 ( 0.000 13.847 -10.326) 17.273 14.188 ( 0.000 -11.384 -11.602) 16.254 14.846 ( 0.000 0.690 7.280) 7.313 14.874 ( 0.000 -2.588 9.385) 9.736 15.139 ( 0.000 4.858 -4.613) 6.699 15.244 ( 0.000 -5.687 -5.421) 7.857 15.728 ( 0.000 1.628 5.574) 5.807 15.765 ( 0.000 -1.936 8.098) 8.326 16.016 ( 0.000 7.637 -4.731) 8.983 16.155 ( 0.000 -6.173 -6.045) 8.640 23.749 ( 0.000 2.020 1.726) 2.657 23.793 ( 0.000 -2.347 1.076) 2.582 23.853 ( 0.000 0.035 -2.550) 2.550 23.854 ( 0.000 0.074 -1.755) 1.757 24.125 ( 0.000 1.093 12.436) 12.484 24.146 ( 0.000 -0.949 9.692) 9.738 24.653 ( 0.000 5.496 -8.941) 10.495 24.769 ( 0.000 -5.682 -11.791) 13.089 26.355 ( 0.000 -0.763 3.097) 3.189 26.362 ( 0.000 -1.606 2.348) 2.845 26.486 ( 0.000 0.281 -2.120) 2.138 26.514 ( 0.000 -2.355 -2.781) 3.644 26.984 ( 0.000 1.685 8.965) 9.122 26.992 ( 0.000 1.160 5.721) 5.838 27.294 ( 0.000 7.491 -5.037) 9.027 27.429 ( 0.000 -6.330 -7.290) 9.655 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.626 ( 4.485 11.806 5.438) 13.751 1.796 ( 6.545 19.004 4.919) 20.692 1.803 ( 2.948 -5.785 3.000) 7.152 2.019 ( -3.125 3.425 -10.131) 11.141 2.066 ( 2.146 1.035 -1.609) 2.875 2.142 ( 0.110 -2.511 -6.999) 7.437 2.227 ( 6.165 4.761 -3.485) 8.533 2.381 ( 7.972 -6.097 -7.022) 12.249 2.515 ( 1.853 11.898 3.989) 12.685 2.582 ( -0.512 2.363 0.217) 2.427 2.630 ( 0.401 1.597 -4.106) 4.424 2.670 ( 3.094 -4.887 -0.753) 5.833 2.774 ( 1.959 -4.928 4.072) 6.686 2.790 ( 5.229 -8.864 -3.021) 10.725 2.805 ( 3.057 -0.010 4.594) 5.518 2.890 ( 6.419 -5.721 1.924) 8.811 3.232 ( 3.664 2.988 2.490) 5.343 3.279 ( 7.293 2.185 0.796) 7.655 3.298 ( 2.303 -0.449 1.924) 3.034 3.351 ( 4.163 -2.052 1.686) 4.938 3.425 ( 4.255 2.117 1.837) 5.095 3.495 ( 3.653 -0.684 1.846) 4.150 3.585 ( 1.407 2.405 -1.759) 3.295 3.667 ( 1.672 0.091 -2.331) 2.870 3.750 ( 4.857 7.984 8.750) 12.803 3.873 ( 3.264 0.193 2.919) 4.383 3.901 ( 3.860 -2.606 2.694) 5.381 3.956 ( 1.527 -5.279 2.311) 5.962 4.153 ( 5.842 7.975 0.734) 9.913 4.344 ( 4.775 -5.636 0.356) 7.396 4.423 ( 3.433 1.445 -1.049) 3.869 4.489 ( 1.494 -2.628 -2.218) 3.750 4.570 ( 4.251 7.971 0.845) 9.073 4.713 ( 0.822 2.903 0.423) 3.046 4.749 ( 4.339 -8.320 -3.438) 9.994 4.819 ( 4.673 -6.588 -3.547) 8.822 6.351 ( -6.797 4.062 7.993) 11.251 6.394 ( -4.590 -0.330 5.262) 6.990 6.703 ( -5.657 4.872 -4.985) 8.977 6.767 ( -9.378 -0.725 -6.097) 11.210 6.918 ( 5.056 3.777 4.225) 7.595 6.970 ( 4.135 -1.161 3.454) 5.511 7.148 ( 3.505 1.943 -2.746) 4.858 7.168 ( 3.310 0.708 -3.569) 4.919 7.322 ( -1.943 0.305 2.515) 3.192 7.376 ( -2.476 -3.944 3.646) 5.915 7.500 ( -2.566 0.536 -3.111) 4.068 7.627 ( -5.001 -8.967 -5.755) 11.770 7.797 ( 0.637 0.040 1.832) 1.940 7.835 ( 1.387 -3.363 0.932) 3.755 7.861 ( 1.535 1.426 -0.406) 2.135 7.969 ( 2.202 -6.822 -4.175) 8.296 8.590 ( 1.884 8.547 0.858) 8.794 8.677 ( 2.243 -0.926 1.423) 2.813 8.731 ( 4.172 8.524 -5.301) 10.870 8.845 ( 3.354 -2.616 -6.445) 7.722 9.320 ( -0.092 7.233 7.048) 10.099 9.560 ( -1.023 -15.987 6.331) 17.225 9.703 ( -0.466 4.928 -6.790) 8.403 9.869 ( -1.629 -11.651 -4.917) 12.751 10.261 ( -5.143 0.061 6.979) 8.669 10.274 ( -4.148 -1.188 5.806) 7.234 10.421 ( -3.908 2.197 -0.579) 4.521 10.473 ( -5.532 -3.142 -1.638) 6.570 12.224 ( -1.677 9.204 6.677) 11.494 12.395 ( -1.776 -7.536 4.923) 9.175 12.618 ( -6.624 4.822 -7.623) 11.191 12.710 ( -2.203 -4.276 -6.267) 7.900 13.371 ( -7.546 13.195 8.045) 17.198 13.614 ( -7.464 -11.272 7.431) 15.427 13.857 ( -6.795 13.550 -10.776) 18.598 14.108 ( -6.972 -11.666 -11.653) 17.902 14.912 ( 5.745 0.378 8.669) 10.406 14.925 ( 4.113 -1.197 10.063) 10.936 15.277 ( 11.835 2.729 -5.604) 13.376 15.343 ( 8.136 -3.723 -6.210) 10.891 15.763 ( 3.207 0.765 5.463) 6.380 15.787 ( 2.495 -1.518 7.050) 7.631 16.024 ( 1.035 6.882 -4.320) 8.191 16.155 ( 0.009 -6.061 -5.872) 8.439 23.749 ( -0.012 2.025 1.777) 2.694 23.793 ( -0.005 -2.350 1.132) 2.608 23.854 ( 0.226 0.389 -2.332) 2.375 23.862 ( 0.547 -0.241 -2.139) 2.221 24.114 ( -1.033 1.462 11.700) 11.836 24.142 ( -0.422 -1.224 9.397) 9.486 24.626 ( -2.639 4.591 -8.453) 9.975 24.714 ( -4.901 -3.780 -10.640) 12.309 26.322 ( -2.450 0.555 2.653) 3.654 26.354 ( -1.225 -2.650 2.690) 3.970 26.465 ( -1.812 0.583 -2.615) 3.234 26.506 ( -1.089 -3.467 -2.660) 4.504 26.998 ( 1.704 3.266 7.478) 8.336 27.037 ( 3.692 -0.291 6.388) 7.384 27.321 ( 2.044 6.075 -5.039) 8.153 27.440 ( 1.290 -5.822 -7.078) 9.256 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.738 ( 5.983 9.088 2.133) 11.088 1.875 ( 3.925 -4.396 1.710) 6.136 1.894 ( 0.930 13.952 -2.126) 14.144 1.963 ( 1.040 7.872 -1.064) 8.011 2.103 ( 0.003 -2.953 -3.056) 4.250 2.168 ( 3.158 -0.863 -2.260) 3.978 2.362 ( 4.768 -3.300 -2.151) 6.185 2.457 ( 0.265 -6.595 -4.306) 7.881 2.513 ( -0.581 14.920 7.724) 16.811 2.611 ( 3.850 8.132 0.136) 8.999 2.708 ( 4.105 -3.497 0.448) 5.411 2.744 ( 5.738 2.331 -5.138) 8.047 2.818 ( 3.084 -7.749 4.588) 9.519 2.885 ( 3.743 -8.363 -1.006) 9.217 2.909 ( 5.616 1.754 -0.558) 5.910 3.008 ( 3.510 -4.707 -0.839) 5.931 3.227 ( -0.767 0.906 4.057) 4.227 3.289 ( -2.570 -4.269 2.078) 5.399 3.358 ( 1.618 3.787 -1.166) 4.281 3.456 ( 2.524 -5.439 -1.211) 6.117 3.506 ( 3.412 6.752 3.713) 8.427 3.623 ( 3.357 -4.864 -0.038) 5.909 3.712 ( 12.468 5.738 -0.660) 13.741 3.786 ( 9.685 1.263 -1.784) 9.929 3.853 ( 4.850 6.881 5.601) 10.111 3.952 ( 3.118 -0.617 1.842) 3.674 3.968 ( 2.538 -2.446 1.591) 3.868 4.015 ( 4.649 -4.636 1.221) 6.678 4.319 ( 8.541 8.219 1.475) 11.945 4.470 ( 8.671 1.866 -0.798) 8.905 4.516 ( 2.418 -3.630 0.076) 4.363 4.556 ( 6.632 -0.703 -1.789) 6.905 4.762 ( 16.749 4.583 1.163) 17.404 4.778 ( 7.658 4.989 2.540) 9.486 4.915 ( 12.595 -8.130 -2.191) 15.150 4.961 ( 10.652 -7.702 -2.203) 13.328 6.218 ( -5.985 5.321 5.349) 9.630 6.296 ( -4.852 -2.410 3.671) 6.545 6.559 ( -10.159 2.380 -5.860) 11.967 6.575 ( -6.707 0.410 -5.532) 8.704 7.007 ( 3.177 5.281 4.024) 7.361 7.067 ( 4.209 -0.550 3.247) 5.344 7.208 ( 2.328 2.351 -1.628) 3.688 7.217 ( 1.537 3.426 -2.711) 4.631 7.284 ( -1.630 -0.592 1.831) 2.522 7.327 ( -2.220 -2.766 1.784) 3.970 7.422 ( -4.698 -1.091 -2.138) 5.275 7.529 ( -4.863 -6.691 -5.896) 10.158 7.791 ( -1.441 1.317 2.682) 3.317 7.853 ( 0.134 -4.558 1.190) 4.712 7.879 ( -0.326 -0.982 -0.097) 1.040 8.000 ( 0.324 -8.866 -3.514) 9.542 8.636 ( 2.643 9.759 1.970) 10.301 8.728 ( 2.531 0.325 2.360) 3.476 8.808 ( 3.033 9.162 -5.008) 10.873 8.919 ( 3.696 -1.549 -5.334) 6.672 9.315 ( -0.525 4.817 7.194) 8.673 9.531 ( -1.742 -15.957 5.499) 16.967 9.693 ( -0.501 2.072 -6.165) 6.523 9.824 ( -2.745 -11.224 -4.972) 12.579 10.132 ( -7.238 1.630 5.644) 9.322 10.175 ( -5.208 -2.707 4.862) 7.622 10.319 ( -6.404 0.562 -1.366) 6.572 10.337 ( -7.047 -1.368 -1.740) 7.387 12.183 ( -2.290 9.004 5.098) 10.598 12.350 ( -2.571 -7.096 4.693) 8.888 12.475 ( -6.991 8.849 -5.078) 12.368 12.653 ( -3.093 -8.563 -5.683) 10.732 13.215 ( -7.256 13.386 7.563) 17.001 13.457 ( -7.463 -10.935 7.425) 15.179 13.715 ( -6.893 13.294 -11.338) 18.783 13.963 ( -6.834 -11.526 -11.965) 17.964 14.992 ( 2.296 1.777 11.079) 11.453 15.029 ( 5.055 -1.603 11.176) 12.370 15.480 ( 5.303 2.949 -7.213) 9.426 15.518 ( 10.299 -1.219 -7.691) 12.911 15.830 ( 3.568 1.515 6.337) 7.428 15.876 ( 5.821 -2.938 3.925) 7.611 16.069 ( 3.608 3.388 -3.322) 5.961 16.157 ( 0.314 -5.093 -5.307) 7.362 23.749 ( -0.025 2.029 1.858) 2.751 23.793 ( -0.010 -2.365 1.310) 2.704 23.861 ( 0.420 0.653 -2.720) 2.829 23.874 ( 0.600 -0.403 -2.061) 2.184 24.089 ( -1.350 2.242 10.019) 10.356 24.131 ( -0.561 -1.873 8.692) 8.909 24.559 ( -3.809 3.236 -7.295) 8.843 24.608 ( -5.194 -1.379 -8.799) 10.310 26.273 ( -2.283 1.565 2.556) 3.767 26.324 ( -1.537 -3.489 2.547) 4.585 26.424 ( -2.161 0.694 -2.868) 3.658 26.473 ( -1.999 -4.148 -2.644) 5.310 27.040 ( 2.243 5.326 6.180) 8.461 27.118 ( 4.136 -2.167 5.958) 7.570 27.346 ( 0.263 6.258 -4.824) 7.906 27.482 ( 2.615 -7.263 -6.650) 10.189 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.832 ( 3.128 7.418 -2.468) 8.420 1.859 ( -1.596 9.937 -3.710) 10.727 1.947 ( 2.765 -3.781 0.043) 4.685 2.014 ( 0.677 -3.658 -1.946) 4.198 2.133 ( 4.446 4.207 3.558) 7.080 2.223 ( 1.755 -2.055 1.674) 3.179 2.389 ( -0.443 3.731 -1.583) 4.077 2.436 ( -1.689 -0.476 -3.362) 3.792 2.532 ( 1.848 13.430 6.633) 15.092 2.703 ( 3.279 -0.906 5.500) 6.467 2.756 ( 2.861 -0.086 2.037) 3.513 2.867 ( 2.679 0.223 0.997) 2.867 2.875 ( 3.945 -4.672 -5.492) 8.218 2.932 ( 0.756 -2.771 -1.415) 3.202 2.984 ( 2.143 -1.878 -1.373) 3.163 3.005 ( -1.698 0.889 0.090) 1.919 3.241 ( -1.298 -3.827 2.406) 4.704 3.249 ( 1.113 -5.532 2.549) 6.192 3.383 ( 1.204 4.626 -4.322) 6.444 3.487 ( 1.442 -4.452 -5.804) 7.455 3.561 ( 2.225 4.078 6.958) 8.366 3.640 ( -0.474 -1.598 3.711) 4.069 3.876 ( 1.066 1.603 0.656) 2.034 3.912 ( 3.817 1.003 -4.624) 6.079 3.962 ( 3.772 2.351 2.616) 5.158 3.966 ( 3.084 0.850 0.318) 3.215 4.053 ( 4.111 -1.268 -0.026) 4.302 4.092 ( 2.336 -3.523 -0.333) 4.240 4.425 ( 3.221 4.265 4.158) 6.771 4.521 ( -0.738 -4.419 3.994) 6.002 4.654 ( 6.141 3.138 -3.721) 7.836 4.678 ( 5.262 0.795 -1.850) 5.634 5.017 ( 14.320 9.412 5.323) 17.944 5.153 ( 19.339 2.836 -0.194) 19.546 5.209 ( 14.270 -8.151 1.129) 16.472 5.250 ( 15.952 -5.127 -1.459) 16.820 6.128 ( -2.966 5.307 2.279) 6.493 6.212 ( -3.522 -3.103 2.076) 5.133 6.396 ( -5.826 3.862 -5.862) 9.122 6.465 ( -3.829 -3.032 -6.442) 8.084 7.034 ( -0.169 6.189 3.979) 7.359 7.112 ( 0.429 -1.618 3.045) 3.475 7.217 ( -0.971 5.418 -1.820) 5.798 7.240 ( 0.477 2.292 -1.143) 2.605 7.264 ( -0.506 -1.584 1.084) 1.985 7.292 ( -1.336 -2.639 0.991) 3.120 7.341 ( -2.975 -1.841 -1.059) 3.655 7.428 ( -5.281 -6.952 -4.506) 9.824 7.743 ( -2.833 3.424 2.250) 4.981 7.835 ( -2.403 1.641 -0.818) 3.022 7.851 ( -1.329 -6.417 1.789) 6.793 7.986 ( -1.061 -10.319 -2.620) 10.699 8.686 ( 2.148 10.480 2.108) 10.903 8.767 ( 1.303 1.977 3.221) 3.997 8.848 ( 1.150 10.818 -4.322) 11.706 8.978 ( 2.089 -1.462 -4.580) 5.242 9.300 ( -0.781 2.316 7.673) 8.053 9.498 ( -1.389 -16.525 4.591) 17.207 9.685 ( -0.166 -0.915 -5.859) 5.932 9.770 ( -2.512 -9.829 -5.312) 11.452 10.006 ( -4.822 3.783 4.427) 7.560 10.091 ( -3.023 -4.805 4.256) 7.096 10.188 ( -5.342 1.969 -2.384) 6.172 10.232 ( -3.834 -2.436 -1.459) 4.771 12.143 ( -1.575 8.552 3.773) 9.479 12.304 ( -1.817 -6.913 4.806) 8.613 12.364 ( -3.993 11.468 -3.748) 12.709 12.602 ( -1.892 -11.800 -5.435) 13.129 13.104 ( -3.793 13.270 7.387) 15.655 13.342 ( -3.934 -10.683 7.439) 13.599 13.602 ( -4.261 13.937 -11.188) 18.373 13.857 ( -3.707 -11.698 -12.182) 17.291 15.016 ( 0.401 3.962 11.249) 11.933 15.098 ( 2.045 -3.949 12.984) 13.724 15.534 ( 0.887 9.268 -8.073) 12.323 15.669 ( 4.729 -3.770 -8.658) 10.561 15.897 ( 2.810 3.116 5.351) 6.800 15.981 ( 4.217 -5.068 3.287) 7.367 16.148 ( 3.595 -0.605 -2.735) 4.557 16.169 ( 0.731 -2.845 -4.531) 5.400 23.748 ( -0.028 2.037 1.869) 2.765 23.793 ( 0.000 -2.410 1.565) 2.874 23.869 ( 0.304 0.803 -3.159) 3.273 23.883 ( 0.366 -0.426 -1.800) 1.886 24.066 ( -0.889 2.896 8.440) 8.967 24.122 ( -0.374 -2.502 7.978) 8.369 24.495 ( -2.226 2.310 -6.408) 7.166 24.522 ( -3.328 -0.345 -7.499) 8.212 26.238 ( -1.226 2.033 2.511) 3.456 26.299 ( -0.853 -4.157 2.424) 4.887 26.387 ( -1.437 0.954 -2.862) 3.342 26.437 ( -1.461 -3.992 -2.436) 4.900 27.078 ( 1.438 6.819 5.035) 8.597 27.186 ( 2.522 -3.714 5.570) 7.154 27.341 ( -0.463 8.533 -4.323) 9.577 27.525 ( 1.549 -9.924 -6.327) 11.871 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 9.364 -2.853) 9.789 1.868 ( 0.000 6.882 -4.654) 8.307 1.976 ( 0.000 -4.010 -1.096) 4.157 2.011 ( 0.000 -7.536 -2.564) 7.960 2.216 ( -0.000 1.527 6.084) 6.273 2.222 ( 0.000 0.037 3.155) 3.156 2.387 ( -0.000 5.394 -4.598) 7.088 2.410 ( 0.000 4.512 -0.574) 4.549 2.555 ( -0.000 12.940 7.609) 15.011 2.723 ( 0.000 -2.709 8.989) 9.388 2.803 ( 0.000 -0.628 0.544) 0.831 2.874 ( -0.000 -5.578 1.434) 5.759 2.923 ( 0.000 1.819 -2.689) 3.247 2.941 ( -0.000 0.581 -7.615) 7.637 2.985 ( 0.000 0.634 1.742) 1.854 3.005 ( 0.000 -2.684 -1.933) 3.307 3.241 ( 0.000 -5.122 0.802) 5.184 3.244 ( -0.000 -5.100 2.100) 5.516 3.400 ( 0.000 4.223 -4.658) 6.287 3.507 ( 0.000 -5.476 -7.855) 9.576 3.589 ( -0.000 2.914 8.823) 9.291 3.625 ( 0.000 2.802 4.815) 5.571 3.892 ( -0.000 -2.615 3.666) 4.503 3.909 ( 0.000 -2.216 -0.845) 2.371 3.987 ( 0.000 5.008 -3.966) 6.389 4.045 ( 0.000 -1.541 -1.259) 1.990 4.093 ( 0.000 -0.227 -1.395) 1.413 4.107 ( 0.000 -0.605 -0.898) 1.083 4.463 ( -0.000 1.403 6.034) 6.195 4.504 ( 0.000 -1.765 5.436) 5.715 4.708 ( -0.000 1.980 -3.417) 3.949 4.736 ( 0.000 -0.144 -3.241) 3.244 5.188 ( 0.000 9.652 6.676) 11.736 5.371 ( 0.000 -8.047 3.237) 8.674 5.393 ( -0.000 1.887 0.112) 1.890 5.412 ( 0.000 -0.582 -1.899) 1.986 6.102 ( 0.000 4.588 0.087) 4.589 6.171 ( 0.000 -2.709 1.421) 3.059 6.338 ( 0.000 4.501 -6.173) 7.640 6.431 ( 0.000 -4.560 -7.657) 8.912 7.025 ( 0.000 6.066 4.353) 7.467 7.109 ( 0.000 -2.473 3.074) 3.945 7.207 ( 0.000 4.316 -1.433) 4.548 7.238 ( 0.000 1.319 -1.465) 1.971 7.256 ( 0.000 -1.449 1.502) 2.087 7.275 ( 0.000 -2.618 0.725) 2.717 7.309 ( -0.000 -1.931 -0.667) 2.043 7.365 ( 0.000 -7.224 -3.493) 8.024 7.710 ( 0.000 5.125 1.825) 5.440 7.800 ( 0.000 5.736 -1.307) 5.883 7.839 ( 0.000 -8.258 2.408) 8.602 7.975 ( 0.000 -11.194 -2.276) 11.423 8.710 ( 0.000 10.676 1.606) 10.796 8.779 ( 0.000 2.735 3.911) 4.773 8.858 ( 0.000 11.543 -4.190) 12.280 8.999 ( 0.000 -1.657 -4.402) 4.703 9.291 ( 0.000 1.352 7.941) 8.055 9.484 ( 0.000 -16.964 4.208) 17.479 9.686 ( -0.000 -2.576 -6.157) 6.674 9.739 ( 0.000 -8.705 -5.250) 10.166 9.958 ( 0.000 4.856 3.987) 6.283 10.061 ( 0.000 -5.724 4.158) 7.075 10.134 ( 0.000 2.883 -2.665) 3.926 10.192 ( 0.000 -3.199 -1.408) 3.495 12.127 ( 0.000 8.308 3.269) 8.928 12.285 ( 0.000 -7.462 5.183) 9.085 12.323 ( 0.000 12.909 -3.652) 13.416 12.583 ( 0.000 -13.036 -5.395) 14.108 13.067 ( 0.000 13.259 7.299) 15.135 13.304 ( 0.000 -10.577 7.434) 12.928 13.558 ( 0.000 14.442 -10.961) 18.131 13.821 ( 0.000 -11.928 -12.212) 17.071 15.018 ( 0.000 4.667 11.179) 12.114 15.117 ( 0.000 -4.898 13.547) 14.405 15.539 ( 0.000 11.548 -8.227) 14.179 15.713 ( 0.000 -4.914 -8.998) 10.253 15.927 ( 0.000 3.619 4.950) 6.132 16.025 ( 0.000 -5.825 3.182) 6.638 16.178 ( 0.000 -1.516 -4.193) 4.459 16.186 ( 0.000 -1.923 -2.619) 3.249 23.748 ( 0.000 2.045 1.851) 2.758 23.793 ( 0.000 -2.442 1.698) 2.974 23.872 ( 0.000 0.850 -3.337) 3.444 23.887 ( 0.000 -0.405 -1.652) 1.701 24.057 ( 0.000 3.135 7.803) 8.409 24.118 ( 0.000 -2.755 7.675) 8.155 24.478 ( 0.000 1.096 -5.841) 5.943 24.483 ( -0.000 0.789 -7.308) 7.350 26.226 ( 0.000 2.172 2.491) 3.305 26.291 ( 0.000 -4.426 2.386) 5.028 26.372 ( 0.000 1.104 -2.833) 3.040 26.422 ( 0.000 -3.838 -2.304) 4.476 27.093 ( 0.000 7.339 4.588) 8.654 27.212 ( 0.000 -4.369 5.441) 6.978 27.335 ( 0.000 9.643 -4.102) 10.479 27.541 ( 0.000 -10.986 -6.190) 12.610 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 0.000 -22.161) 22.161 1.197 ( 0.000 0.000 22.161) 22.161 1.258 ( 0.000 0.000 -26.507) 26.507 1.258 ( 0.000 0.000 26.507) 26.507 1.700 ( 0.000 0.000 -4.590) 4.590 1.700 ( 0.000 0.000 4.590) 4.590 2.045 ( 0.000 0.000 -8.666) 8.666 2.045 ( 0.000 0.000 8.666) 8.666 2.265 ( 0.000 0.000 -30.097) 30.097 2.265 ( 0.000 0.000 30.097) 30.097 2.893 ( 0.000 0.000 -3.805) 3.805 2.893 ( 0.000 0.000 3.805) 3.805 2.898 ( 0.000 0.000 -0.594) 0.594 2.898 ( 0.000 0.000 0.594) 0.594 3.055 ( 0.000 0.000 -6.473) 6.473 3.055 ( 0.000 0.000 6.473) 6.473 3.189 ( 0.000 0.000 -8.906) 8.906 3.189 ( 0.000 0.000 8.906) 8.906 3.206 ( 0.000 0.000 -1.360) 1.360 3.206 ( 0.000 0.000 1.360) 1.360 3.558 ( 0.000 0.000 -13.052) 13.052 3.558 ( 0.000 0.000 13.052) 13.052 3.613 ( 0.000 0.000 -5.474) 5.474 3.613 ( 0.000 0.000 5.474) 5.474 3.940 ( 0.000 0.000 -0.538) 0.538 3.940 ( 0.000 0.000 0.538) 0.538 4.027 ( 0.000 0.000 -7.836) 7.836 4.027 ( 0.000 0.000 7.836) 7.836 4.159 ( 0.000 0.000 -3.512) 3.512 4.159 ( 0.000 0.000 3.512) 3.512 4.306 ( 0.000 0.000 -2.245) 2.245 4.306 ( 0.000 0.000 2.245) 2.245 4.439 ( 0.000 0.000 -14.212) 14.212 4.439 ( 0.000 0.000 14.212) 14.212 5.042 ( 0.000 0.000 -6.917) 6.917 5.042 ( 0.000 0.000 6.917) 6.917 6.164 ( 0.000 0.000 -5.469) 5.469 6.164 ( 0.000 0.000 5.469) 5.469 6.439 ( 0.000 0.000 -5.248) 5.248 6.439 ( 0.000 0.000 5.248) 5.248 6.792 ( 0.000 0.000 -5.612) 5.612 6.792 ( 0.000 0.000 5.612) 5.612 6.986 ( 0.000 0.000 -3.721) 3.721 6.986 ( 0.000 0.000 3.721) 3.721 7.616 ( 0.000 0.000 -1.647) 1.647 7.616 ( 0.000 0.000 1.647) 1.647 7.746 ( 0.000 0.000 -0.456) 0.456 7.746 ( 0.000 0.000 0.456) 0.456 7.944 ( 0.000 0.000 -1.966) 1.966 7.944 ( 0.000 0.000 1.966) 1.966 8.085 ( 0.000 0.000 -3.916) 3.916 8.085 ( 0.000 0.000 3.916) 3.916 8.577 ( 0.000 0.000 -4.493) 4.493 8.577 ( 0.000 0.000 4.493) 4.493 8.812 ( 0.000 0.000 -0.056) 0.056 8.812 ( 0.000 0.000 0.056) 0.056 9.371 ( 0.000 0.000 -8.947) 8.947 9.371 ( 0.000 0.000 8.947) 8.947 10.215 ( 0.000 0.000 -0.651) 0.651 10.215 ( 0.000 0.000 0.651) 0.651 10.440 ( 0.000 0.000 -1.598) 1.598 10.440 ( 0.000 0.000 1.598) 1.598 10.589 ( 0.000 0.000 -8.001) 8.001 10.589 ( 0.000 0.000 8.001) 8.001 12.406 ( 0.000 0.000 -1.411) 1.411 12.406 ( 0.000 0.000 1.411) 1.411 12.697 ( 0.000 0.000 -3.000) 3.000 12.697 ( 0.000 0.000 3.000) 3.000 12.981 ( 0.000 0.000 -9.932) 9.932 12.981 ( 0.000 0.000 9.932) 9.932 14.301 ( 0.000 0.000 -11.229) 11.229 14.301 ( 0.000 0.000 11.229) 11.229 14.876 ( 0.000 0.000 -4.535) 4.535 14.876 ( 0.000 0.000 4.535) 4.535 15.528 ( 0.000 0.000 -1.486) 1.486 15.528 ( 0.000 0.000 1.486) 1.486 15.700 ( 0.000 0.000 -0.070) 0.070 15.700 ( 0.000 0.000 0.070) 0.070 16.116 ( 0.000 0.000 -11.717) 11.717 16.116 ( 0.000 0.000 11.717) 11.717 23.783 ( 0.000 0.000 -4.322) 4.322 23.783 ( 0.000 0.000 4.322) 4.322 23.881 ( 0.000 0.000 -1.040) 1.040 23.881 ( 0.000 0.000 1.040) 1.040 24.333 ( 0.000 0.000 -7.778) 7.778 24.333 ( 0.000 0.000 7.778) 7.778 24.413 ( 0.000 0.000 -3.290) 3.290 24.413 ( 0.000 0.000 3.290) 3.290 26.533 ( 0.000 0.000 -5.062) 5.062 26.533 ( 0.000 0.000 5.062) 5.062 26.682 ( 0.000 0.000 -1.254) 1.254 26.682 ( 0.000 0.000 1.254) 1.254 26.732 ( 0.000 0.000 -1.554) 1.554 26.732 ( 0.000 0.000 1.554) 1.554 27.455 ( 0.000 0.000 -5.703) 5.703 27.455 ( 0.000 0.000 5.703) 5.703 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 7.429 0.000 -18.058) 19.526 1.274 ( 7.429 0.000 18.058) 19.526 1.319 ( 4.404 0.000 -15.891) 16.490 1.319 ( 4.404 0.000 15.891) 16.490 1.842 ( 11.536 0.000 -6.218) 13.105 1.842 ( 11.536 0.000 6.218) 13.105 2.049 ( 1.107 0.000 -9.110) 9.177 2.049 ( 1.107 0.000 9.110) 9.177 2.394 ( 13.357 0.000 -28.491) 31.467 2.394 ( 13.357 0.000 28.491) 31.467 2.800 ( -5.356 0.000 -3.013) 6.145 2.800 ( -5.356 0.000 3.013) 6.145 2.939 ( 0.483 0.000 -2.471) 2.518 2.939 ( 0.483 0.000 2.471) 2.518 3.080 ( 1.502 0.000 -4.337) 4.590 3.080 ( 1.502 0.000 4.337) 4.590 3.203 ( 3.125 0.000 -6.024) 6.786 3.203 ( 3.125 0.000 6.024) 6.786 3.315 ( 8.362 0.000 -0.988) 8.420 3.315 ( 8.362 0.000 0.988) 8.420 3.543 ( 1.064 0.000 -11.444) 11.494 3.543 ( 1.064 0.000 11.444) 11.494 3.723 ( 3.350 0.000 -1.014) 3.500 3.723 ( 3.350 0.000 1.014) 3.500 3.830 ( -2.585 0.000 -0.007) 2.585 3.830 ( -2.585 0.000 0.007) 2.585 4.004 ( -1.203 0.000 -7.655) 7.749 4.004 ( -1.203 0.000 7.655) 7.749 4.234 ( -0.659 0.000 -1.916) 2.026 4.234 ( -0.659 0.000 1.916) 2.026 4.296 ( 7.218 0.000 -3.953) 8.230 4.296 ( 7.218 0.000 3.953) 8.230 4.550 ( 8.682 0.000 -11.180) 14.155 4.550 ( 8.682 0.000 11.180) 14.155 5.049 ( 0.707 0.000 -7.040) 7.075 5.049 ( 0.707 0.000 7.040) 7.075 6.123 ( -3.496 0.000 -6.136) 7.062 6.123 ( -3.496 0.000 6.136) 7.062 6.435 ( -0.407 0.000 -5.526) 5.541 6.435 ( -0.407 0.000 5.526) 5.541 6.805 ( 1.025 0.000 -5.272) 5.370 6.805 ( 1.025 0.000 5.272) 5.370 7.000 ( 1.321 0.000 -3.070) 3.342 7.000 ( 1.321 0.000 3.070) 3.342 7.563 ( -4.854 0.000 -0.034) 4.854 7.563 ( -4.854 0.000 0.034) 4.854 7.718 ( -1.136 0.000 -1.350) 1.764 7.718 ( -1.136 0.000 1.350) 1.764 8.006 ( 2.593 0.000 -2.887) 3.880 8.006 ( 2.593 0.000 2.887) 3.880 8.122 ( 4.869 0.000 -2.563) 5.503 8.122 ( 4.869 0.000 2.563) 5.503 8.635 ( 3.474 0.000 -7.792) 8.531 8.635 ( 3.474 0.000 7.792) 8.531 8.791 ( -2.193 0.000 -1.768) 2.817 8.791 ( -2.193 0.000 1.768) 2.817 9.383 ( 1.355 0.000 -8.322) 8.432 9.383 ( 1.355 0.000 8.322) 8.432 10.196 ( -1.737 0.000 -0.532) 1.817 10.196 ( -1.737 0.000 0.532) 1.817 10.441 ( -1.108 0.000 -0.938) 1.452 10.441 ( -1.108 0.000 0.938) 1.452 10.519 ( -5.723 0.000 -6.489) 8.652 10.519 ( -5.723 0.000 6.489) 8.652 12.241 ( -11.597 0.000 -3.586) 12.139 12.241 ( -11.597 0.000 3.586) 12.139 12.792 ( 5.544 0.000 -3.987) 6.829 12.792 ( 5.544 0.000 3.987) 6.829 12.875 ( -8.946 0.000 -8.497) 12.338 12.875 ( -8.946 0.000 8.497) 12.338 14.215 ( -7.851 0.000 -11.999) 14.339 14.215 ( -7.851 0.000 11.999) 14.339 14.982 ( 8.659 0.000 -5.033) 10.015 14.982 ( 8.659 0.000 5.033) 10.015 15.465 ( -5.874 0.000 -1.645) 6.100 15.465 ( -5.874 0.000 1.645) 6.100 15.811 ( 10.472 0.000 -0.117) 10.472 15.811 ( 10.472 0.000 0.117) 10.472 16.126 ( 0.582 0.000 -11.188) 11.203 16.126 ( 0.582 0.000 11.188) 11.203 23.781 ( -0.275 0.000 -4.202) 4.211 23.781 ( -0.275 0.000 4.202) 4.211 23.878 ( -0.099 0.000 -0.554) 0.563 23.878 ( -0.099 0.000 0.554) 0.563 24.298 ( -3.801 0.000 -6.153) 7.233 24.298 ( -3.801 0.000 6.153) 7.233 24.378 ( -2.176 0.000 -7.959) 8.251 24.378 ( -2.176 0.000 7.959) 8.251 26.415 ( -6.034 0.000 -3.037) 6.755 26.415 ( -6.034 0.000 3.037) 6.755 26.677 ( -1.109 0.000 -1.683) 2.015 26.677 ( -1.109 0.000 1.683) 2.015 26.899 ( 9.323 0.000 -2.652) 9.693 26.899 ( 9.323 0.000 2.652) 9.693 27.435 ( -0.670 0.000 -1.013) 1.215 27.435 ( -0.670 0.000 1.013) 1.215 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 2.866 0.000 -4.359) 5.216 1.385 ( 2.866 0.000 4.359) 5.216 1.479 ( 11.979 0.000 -10.689) 16.055 1.479 ( 11.979 0.000 10.689) 16.055 2.028 ( 6.774 0.000 -13.798) 15.371 2.028 ( 6.774 0.000 13.798) 15.371 2.118 ( 6.012 0.000 -6.432) 8.804 2.118 ( 6.012 0.000 6.432) 8.804 2.649 ( -2.333 0.000 -0.124) 2.336 2.649 ( -2.333 0.000 0.124) 2.336 2.767 ( 12.171 0.000 -10.488) 16.066 2.767 ( 12.171 0.000 10.488) 16.066 2.939 ( 0.027 0.000 -2.600) 2.600 2.939 ( 0.027 0.000 2.600) 2.600 3.064 ( -2.351 0.000 -2.879) 3.717 3.064 ( -2.351 0.000 2.879) 3.717 3.317 ( 6.818 0.000 -1.507) 6.983 3.317 ( 6.818 0.000 1.507) 6.983 3.404 ( -1.198 0.000 -1.861) 2.213 3.404 ( -1.198 0.000 1.861) 2.213 3.645 ( 5.353 0.000 -13.825) 14.825 3.645 ( 5.353 0.000 13.825) 14.825 3.739 ( 7.718 0.000 -3.589) 8.511 3.739 ( 7.718 0.000 3.589) 8.511 3.867 ( 3.281 0.000 -0.120) 3.283 3.867 ( 3.281 0.000 0.120) 3.283 3.987 ( -0.799 0.000 -1.013) 1.290 3.987 ( -0.799 0.000 1.013) 1.290 4.270 ( 2.998 0.000 -5.779) 6.510 4.270 ( 2.998 0.000 5.779) 6.510 4.490 ( 10.764 0.000 -0.618) 10.781 4.490 ( 10.764 0.000 0.618) 10.781 4.775 ( 14.412 0.000 -12.387) 19.004 4.775 ( 14.412 0.000 12.387) 19.004 5.079 ( 2.990 0.000 -8.010) 8.550 5.079 ( 2.990 0.000 8.010) 8.550 6.055 ( -2.788 0.000 -6.673) 7.232 6.055 ( -2.788 0.000 6.673) 7.232 6.424 ( -0.635 0.000 -6.249) 6.281 6.424 ( -0.635 0.000 6.249) 6.281 6.822 ( 0.497 0.000 -4.686) 4.712 6.822 ( 0.497 0.000 4.686) 4.712 7.032 ( 1.909 0.000 -1.695) 2.554 7.032 ( 1.909 0.000 1.695) 2.554 7.464 ( -4.335 0.000 -0.396) 4.353 7.464 ( -4.335 0.000 0.396) 4.353 7.708 ( -0.180 0.000 -0.908) 0.925 7.708 ( -0.180 0.000 0.908) 0.925 8.021 ( -0.408 0.000 -5.861) 5.875 8.021 ( -0.408 0.000 5.861) 5.875 8.236 ( 4.594 0.000 -2.666) 5.311 8.236 ( 4.594 0.000 2.666) 5.311 8.649 ( -1.905 0.000 -4.462) 4.852 8.649 ( -1.905 0.000 4.462) 4.852 8.709 ( -6.230 0.000 -4.183) 7.504 8.709 ( -6.230 0.000 4.183) 7.504 9.426 ( 2.915 0.000 -7.683) 8.218 9.426 ( 2.915 0.000 7.683) 8.218 10.162 ( -1.494 0.000 -0.523) 1.582 10.162 ( -1.494 0.000 0.523) 1.582 10.291 ( -11.301 0.000 -5.627) 12.625 10.291 ( -11.301 0.000 5.627) 12.625 10.484 ( 0.324 0.000 -1.218) 1.260 10.484 ( 0.324 0.000 1.218) 1.260 12.051 ( -6.909 0.000 -4.255) 8.114 12.051 ( -6.909 0.000 4.255) 8.114 12.694 ( -8.152 0.000 -7.423) 11.025 12.694 ( -8.152 0.000 7.423) 11.025 12.860 ( 1.153 0.000 -6.599) 6.699 12.860 ( 1.153 0.000 6.599) 6.699 14.046 ( -8.073 0.000 -12.710) 15.057 14.046 ( -8.073 0.000 12.710) 15.057 15.096 ( 0.143 0.000 -1.633) 1.639 15.096 ( 0.143 0.000 1.633) 1.639 15.391 ( 0.961 0.000 -9.113) 9.163 15.391 ( 0.961 0.000 9.113) 9.163 16.039 ( 11.000 0.000 -0.085) 11.000 16.039 ( 11.000 0.000 0.085) 11.000 16.128 ( -0.218 0.000 -10.766) 10.768 16.128 ( -0.218 0.000 10.766) 10.768 23.772 ( -0.589 0.000 -3.803) 3.848 23.772 ( -0.589 0.000 3.803) 3.848 23.885 ( 0.818 0.000 -0.059) 0.821 23.885 ( 0.818 0.000 0.059) 0.821 24.207 ( -4.618 0.000 -8.162) 9.378 24.207 ( -4.618 0.000 8.162) 9.378 24.346 ( -1.326 0.000 -8.062) 8.171 24.346 ( -1.326 0.000 8.062) 8.171 26.333 ( -2.609 0.000 -3.850) 4.651 26.333 ( -2.609 0.000 3.850) 4.651 26.645 ( -1.990 0.000 -1.558) 2.527 26.645 ( -1.990 0.000 1.558) 2.527 26.979 ( -0.687 0.000 -5.184) 5.229 26.979 ( -0.687 0.000 5.184) 5.229 27.482 ( 5.119 0.000 -15.420) 16.248 27.482 ( 5.119 0.000 15.420) 16.248 ======================= Grid point 132 (44/60) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 1.079 0.000 -0.199) 1.097 1.423 ( 1.079 0.000 0.199) 1.097 1.722 ( 11.441 0.000 -3.520) 11.970 1.722 ( 11.441 0.000 3.520) 11.970 2.137 ( 4.150 0.000 -9.380) 10.257 2.137 ( 4.150 0.000 9.380) 10.257 2.262 ( 8.094 0.000 -10.344) 13.134 2.262 ( 8.094 0.000 10.344) 13.134 2.522 ( -7.145 0.000 -5.580) 9.066 2.522 ( -7.145 0.000 5.580) 9.066 2.813 ( -6.266 0.000 -4.783) 7.883 2.813 ( -6.266 0.000 4.783) 7.883 3.030 ( 1.459 0.000 -7.036) 7.186 3.030 ( 1.459 0.000 7.036) 7.186 3.077 ( 7.658 0.000 -0.045) 7.658 3.077 ( 7.658 0.000 0.045) 7.658 3.309 ( -4.889 0.000 -2.452) 5.470 3.309 ( -4.889 0.000 2.452) 5.470 3.462 ( 5.671 0.000 -7.921) 9.742 3.462 ( 5.671 0.000 7.921) 9.742 3.645 ( -3.038 0.000 -9.439) 9.916 3.645 ( -3.038 0.000 9.439) 9.916 3.862 ( 1.659 0.000 -3.433) 3.813 3.862 ( 1.659 0.000 3.433) 3.813 3.974 ( 4.145 0.000 -3.856) 5.661 3.974 ( 4.145 0.000 3.856) 5.661 4.150 ( 15.863 0.000 -4.612) 16.520 4.150 ( 15.863 0.000 4.612) 16.520 4.303 ( 1.484 0.000 -4.551) 4.787 4.303 ( 1.484 0.000 4.551) 4.787 4.635 ( 2.980 0.000 -4.958) 5.785 4.635 ( 2.980 0.000 4.958) 5.785 5.041 ( 10.690 0.000 -5.180) 11.879 5.041 ( 10.690 0.000 5.180) 11.879 5.190 ( 6.693 0.000 -4.809) 8.242 5.190 ( 6.693 0.000 4.809) 8.242 6.023 ( -0.584 0.000 -6.592) 6.618 6.023 ( -0.584 0.000 6.592) 6.618 6.413 ( -0.425 0.000 -6.994) 7.007 6.413 ( -0.425 0.000 6.994) 7.007 6.824 ( -0.156 0.000 -4.102) 4.105 6.824 ( -0.156 0.000 4.102) 4.105 7.082 ( 3.039 0.000 -0.771) 3.136 7.082 ( 3.039 0.000 0.771) 3.136 7.427 ( 1.803 0.000 -0.931) 2.029 7.427 ( 1.803 0.000 0.931) 2.029 7.692 ( -2.411 0.000 -0.391) 2.442 7.692 ( -2.411 0.000 0.391) 2.442 7.986 ( -3.654 0.000 -6.013) 7.036 7.986 ( -3.654 0.000 6.013) 7.036 8.243 ( -3.778 0.000 -11.876) 12.462 8.243 ( -3.778 0.000 11.876) 12.462 8.554 ( -4.887 0.000 -0.095) 4.888 8.554 ( -4.887 0.000 0.095) 4.888 8.643 ( -0.392 0.000 -4.393) 4.411 8.643 ( -0.392 0.000 4.393) 4.411 9.486 ( 2.673 0.000 -8.051) 8.483 9.486 ( 2.673 0.000 8.051) 8.483 10.068 ( -8.458 0.000 -6.480) 10.655 10.068 ( -8.458 0.000 6.480) 10.655 10.153 ( -0.901 0.000 -1.394) 1.660 10.153 ( -0.901 0.000 1.394) 1.660 10.488 ( -0.031 0.000 -1.149) 1.150 10.488 ( -0.031 0.000 1.149) 1.150 11.965 ( -2.276 0.000 -3.177) 3.908 11.965 ( -2.276 0.000 3.177) 3.908 12.576 ( -3.684 0.000 -9.034) 9.756 12.576 ( -3.684 0.000 9.034) 9.756 12.848 ( -1.737 0.000 -11.034) 11.170 12.848 ( -1.737 0.000 11.034) 11.170 13.923 ( -4.155 0.000 -13.408) 14.037 13.923 ( -4.155 0.000 13.408) 14.037 15.033 ( -3.882 0.000 -3.982) 5.561 15.033 ( -3.882 0.000 3.982) 5.561 15.463 ( 3.906 0.000 -12.431) 13.030 15.463 ( 3.906 0.000 12.431) 13.030 16.112 ( -0.575 0.000 -11.162) 11.177 16.112 ( -0.575 0.000 11.162) 11.177 16.220 ( 6.280 0.000 -0.326) 6.288 16.220 ( 6.280 0.000 0.326) 6.288 23.761 ( -0.415 0.000 -3.666) 3.689 23.761 ( -0.415 0.000 3.666) 3.689 23.905 ( 0.950 0.000 -0.164) 0.964 23.905 ( 0.950 0.000 0.164) 0.964 24.133 ( -2.696 0.000 -9.780) 10.144 24.133 ( -2.696 0.000 9.780) 10.144 24.324 ( -0.836 0.000 -5.926) 5.984 24.324 ( -0.836 0.000 5.926) 5.984 26.299 ( -1.007 0.000 -4.582) 4.691 26.299 ( -1.007 0.000 4.582) 4.691 26.606 ( -1.680 0.000 -1.432) 2.207 26.606 ( -1.680 0.000 1.432) 2.207 26.939 ( -2.104 0.000 -6.237) 6.583 26.939 ( -2.104 0.000 6.237) 6.583 27.582 ( 3.986 0.000 -19.958) 20.352 27.582 ( 3.986 0.000 19.958) 20.352 ======================= Grid point 134 (45/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 0.000 -0.568) 0.568 1.433 ( 0.000 0.000 0.568) 0.568 1.857 ( -0.000 0.000 -1.118) 1.118 1.857 ( -0.000 0.000 1.118) 1.118 2.179 ( 0.000 0.000 -7.100) 7.100 2.179 ( 0.000 0.000 7.100) 7.100 2.376 ( 0.000 0.000 -9.498) 9.498 2.376 ( -0.000 0.000 9.498) 9.498 2.428 ( 0.000 0.000 -7.764) 7.764 2.428 ( 0.000 0.000 7.764) 7.764 2.717 ( 0.000 0.000 -9.352) 9.352 2.717 ( 0.000 0.000 9.352) 9.352 3.040 ( 0.000 0.000 -9.335) 9.335 3.040 ( 0.000 0.000 9.335) 9.335 3.183 ( -0.000 0.000 -2.801) 2.801 3.183 ( 0.000 0.000 2.801) 2.801 3.234 ( 0.000 0.000 -4.378) 4.378 3.234 ( 0.000 0.000 4.378) 4.378 3.556 ( 0.000 0.000 -8.265) 8.265 3.556 ( -0.000 0.000 8.265) 8.265 3.573 ( 0.000 0.000 -7.503) 7.503 3.573 ( 0.000 0.000 7.503) 7.503 3.864 ( 0.000 0.000 -2.509) 2.509 3.864 ( 0.000 0.000 2.509) 2.509 4.041 ( 0.000 0.000 -4.696) 4.696 4.041 ( 0.000 0.000 4.696) 4.696 4.251 ( 0.000 0.000 -1.391) 1.391 4.251 ( 0.000 0.000 1.391) 1.391 4.409 ( 0.000 0.000 -6.576) 6.576 4.409 ( 0.000 0.000 6.576) 6.576 4.636 ( 0.000 0.000 -6.813) 6.813 4.636 ( -0.000 0.000 6.813) 6.813 5.200 ( -0.000 0.000 -11.684) 11.684 5.200 ( 0.000 0.000 11.684) 11.684 5.221 ( -0.000 0.000 -10.405) 10.405 5.221 ( 0.000 0.000 10.405) 10.405 6.020 ( 0.000 0.000 -6.576) 6.576 6.020 ( 0.000 0.000 6.576) 6.576 6.409 ( 0.000 0.000 -7.318) 7.318 6.409 ( 0.000 0.000 7.318) 7.318 6.821 ( 0.000 0.000 -3.812) 3.812 6.821 ( 0.000 0.000 3.812) 3.812 7.120 ( 0.000 0.000 -0.417) 0.417 7.120 ( -0.000 0.000 0.417) 0.417 7.547 ( 0.000 0.000 -0.319) 0.319 7.547 ( -0.000 0.000 0.319) 0.319 7.578 ( 0.000 0.000 -4.870) 4.870 7.578 ( -0.000 0.000 4.870) 4.870 7.921 ( 0.000 0.000 -3.868) 3.868 7.921 ( 0.000 0.000 3.868) 3.868 8.191 ( 0.000 0.000 -10.389) 10.389 8.191 ( 0.000 0.000 10.389) 10.389 8.510 ( 0.000 0.000 -0.878) 0.878 8.510 ( 0.000 0.000 0.878) 0.878 8.645 ( 0.000 0.000 -7.999) 7.999 8.645 ( 0.000 0.000 7.999) 7.999 9.515 ( 0.000 0.000 -8.414) 8.414 9.515 ( 0.000 0.000 8.414) 8.414 9.977 ( 0.000 0.000 -6.789) 6.789 9.977 ( 0.000 0.000 6.789) 6.789 10.147 ( 0.000 0.000 -1.867) 1.867 10.147 ( 0.000 0.000 1.867) 1.867 10.487 ( 0.000 0.000 -0.749) 0.749 10.487 ( 0.000 0.000 0.749) 0.749 11.945 ( 0.000 0.000 -2.623) 2.623 11.945 ( 0.000 0.000 2.623) 2.623 12.542 ( 0.000 0.000 -10.327) 10.327 12.542 ( 0.000 0.000 10.327) 10.327 12.824 ( 0.000 0.000 -13.473) 13.473 12.824 ( 0.000 0.000 13.473) 13.473 13.883 ( 0.000 0.000 -13.743) 13.743 13.883 ( 0.000 0.000 13.743) 13.743 14.991 ( 0.000 0.000 -3.329) 3.329 14.991 ( 0.000 0.000 3.329) 3.329 15.504 ( 0.000 0.000 -12.284) 12.284 15.504 ( 0.000 0.000 12.284) 12.284 16.106 ( 0.000 0.000 -11.252) 11.252 16.106 ( 0.000 0.000 11.252) 11.252 16.283 ( 0.000 0.000 -0.336) 0.336 16.283 ( 0.000 0.000 0.336) 0.336 23.757 ( 0.000 0.000 -3.712) 3.712 23.757 ( 0.000 0.000 3.712) 3.712 23.915 ( 0.000 0.000 -0.224) 0.224 23.915 ( 0.000 0.000 0.224) 0.224 24.105 ( 0.000 0.000 -10.332) 10.332 24.105 ( 0.000 0.000 10.332) 10.332 24.315 ( 0.000 0.000 -4.909) 4.909 24.315 ( 0.000 0.000 4.909) 4.909 26.290 ( 0.000 0.000 -4.777) 4.777 26.290 ( 0.000 0.000 4.777) 4.777 26.588 ( 0.000 0.000 -1.354) 1.354 26.588 ( 0.000 0.000 1.354) 1.354 26.917 ( 0.000 0.000 -5.704) 5.704 26.917 ( 0.000 0.000 5.704) 5.704 27.623 ( 0.000 0.000 -20.522) 20.522 27.623 ( 0.000 0.000 20.522) 20.522 ======================= Grid point 144 (46/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 13.777 -18.492) 23.060 1.356 ( 0.000 13.777 18.492) 23.060 1.361 ( 0.000 9.991 -23.841) 25.850 1.361 ( 0.000 9.991 23.841) 25.850 1.784 ( 0.000 7.475 -9.633) 12.192 1.784 ( 0.000 7.475 9.633) 12.192 2.023 ( 0.000 -2.087 -8.051) 8.317 2.023 ( 0.000 -2.087 8.051) 8.317 2.355 ( 0.000 8.114 -21.507) 22.987 2.355 ( 0.000 8.114 21.507) 22.987 2.851 ( 0.000 -4.144 -3.312) 5.305 2.851 ( 0.000 -4.144 3.312) 5.305 2.899 ( 0.000 -0.659 -3.978) 4.032 2.899 ( 0.000 -0.659 3.978) 4.032 3.043 ( 0.000 -1.587 -4.604) 4.870 3.043 ( 0.000 -1.587 4.604) 4.870 3.156 ( 0.000 -3.383 -2.314) 4.099 3.156 ( 0.000 -3.383 2.314) 4.099 3.198 ( 0.000 1.062 -8.280) 8.348 3.198 ( 0.000 1.062 8.280) 8.348 3.552 ( 0.000 -0.697 -11.350) 11.371 3.552 ( 0.000 -0.697 11.350) 11.371 3.596 ( 0.000 -1.782 -6.063) 6.319 3.596 ( 0.000 -1.782 6.063) 6.319 3.849 ( 0.000 -5.867 -5.862) 8.294 3.849 ( 0.000 -5.867 5.862) 8.294 4.062 ( 0.000 2.554 -11.241) 11.527 4.062 ( 0.000 2.554 11.241) 11.527 4.106 ( 0.000 -4.125 -2.330) 4.737 4.106 ( 0.000 -4.125 2.330) 4.737 4.351 ( 0.000 3.314 -1.694) 3.722 4.351 ( 0.000 3.314 1.694) 3.722 4.454 ( 0.000 1.539 -12.710) 12.803 4.454 ( 0.000 1.539 12.710) 12.803 5.005 ( 0.000 -3.837 -5.957) 7.086 5.005 ( 0.000 -3.837 5.957) 7.086 6.348 ( 0.000 14.872 -10.695) 18.318 6.348 ( 0.000 14.872 10.695) 18.318 6.453 ( 0.000 1.557 -5.356) 5.578 6.453 ( 0.000 1.557 5.356) 5.578 6.825 ( 0.000 2.943 -5.802) 6.506 6.825 ( 0.000 2.943 5.802) 6.506 7.001 ( 0.000 1.481 -3.445) 3.749 7.001 ( 0.000 1.481 3.445) 3.749 7.547 ( 0.000 -5.587 -2.255) 6.025 7.547 ( 0.000 -5.587 2.255) 6.025 7.750 ( 0.000 0.566 -0.298) 0.640 7.750 ( 0.000 0.566 0.298) 0.640 7.921 ( 0.000 -2.466 -4.312) 4.967 7.921 ( 0.000 -2.466 4.312) 4.967 8.185 ( 0.000 8.809 -3.339) 9.420 8.185 ( 0.000 8.809 3.339) 9.420 8.377 ( 0.000 -18.614 -7.159) 19.943 8.377 ( 0.000 -18.614 7.159) 19.943 8.767 ( 0.000 -2.682 -0.253) 2.694 8.767 ( 0.000 -2.682 0.253) 2.694 9.383 ( 0.000 1.219 -9.167) 9.248 9.383 ( 0.000 1.219 9.167) 9.248 10.230 ( 0.000 -2.452 -1.600) 2.928 10.230 ( 0.000 -2.452 1.600) 2.928 10.385 ( 0.000 -2.701 -2.159) 3.458 10.385 ( 0.000 -2.701 2.159) 3.458 10.567 ( 0.000 -2.113 -7.603) 7.891 10.567 ( 0.000 -2.113 7.603) 7.891 12.359 ( 0.000 -2.396 -11.523) 11.770 12.359 ( 0.000 -2.396 11.523) 11.770 12.684 ( 0.000 -1.340 -3.567) 3.810 12.684 ( 0.000 -1.340 3.567) 3.810 13.138 ( 0.000 13.160 -9.211) 16.064 13.138 ( 0.000 13.160 9.211) 16.064 14.249 ( 0.000 -5.045 -11.259) 12.338 14.249 ( 0.000 -5.045 11.259) 12.338 14.898 ( 0.000 1.986 -4.601) 5.011 14.898 ( 0.000 1.986 4.601) 5.011 15.402 ( 0.000 -10.222 -4.902) 11.336 15.402 ( 0.000 -10.222 4.902) 11.336 15.727 ( 0.000 2.336 -1.043) 2.558 15.727 ( 0.000 2.336 1.043) 2.558 16.101 ( 0.000 -1.568 -11.568) 11.674 16.101 ( 0.000 -1.568 11.568) 11.674 23.782 ( 0.000 -0.089 -4.059) 4.060 23.782 ( 0.000 -0.089 4.059) 4.060 23.871 ( 0.000 -0.924 -0.746) 1.188 23.871 ( 0.000 -0.924 0.746) 1.188 24.341 ( 0.000 0.766 -8.274) 8.310 24.341 ( 0.000 0.766 8.274) 8.310 24.446 ( 0.000 2.405 -13.320) 13.536 24.446 ( 0.000 2.405 13.320) 13.536 26.518 ( 0.000 -1.513 -4.781) 5.014 26.518 ( 0.000 -1.513 4.781) 5.014 26.561 ( 0.000 -6.116 -1.720) 6.353 26.561 ( 0.000 -6.116 1.720) 6.353 26.877 ( 0.000 8.427 -2.962) 8.932 26.877 ( 0.000 8.427 2.962) 8.932 27.383 ( 0.000 -5.801 -12.523) 13.802 27.383 ( 0.000 -5.801 12.523) 13.802 ======================= Grid point 146 (47/60) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.032 9.462 -14.594) 17.511 1.352 ( 2.032 9.462 14.594) 17.511 1.470 ( 7.537 11.282 -17.506) 22.148 1.470 ( 7.537 11.282 17.506) 22.148 1.940 ( 12.459 8.593 -7.259) 16.785 1.940 ( 12.459 8.593 7.259) 16.785 2.040 ( 1.550 -0.758 -7.613) 7.806 2.040 ( 1.550 -0.758 7.613) 7.806 2.422 ( 7.445 2.844 -19.337) 20.915 2.422 ( 7.445 2.844 19.337) 20.915 2.793 ( -4.099 -2.388 -3.533) 5.915 2.793 ( -4.099 -2.388 3.533) 5.915 2.935 ( 2.844 0.356 -5.288) 6.014 2.935 ( 2.844 0.356 5.288) 6.014 3.063 ( 1.333 -1.779 -3.286) 3.968 3.063 ( 1.333 -1.779 3.286) 3.968 3.199 ( 4.078 -0.472 -3.839) 5.621 3.199 ( 4.078 -0.472 3.839) 5.621 3.296 ( 8.140 -0.680 -4.969) 9.561 3.296 ( 8.140 -0.680 4.969) 9.561 3.540 ( 0.880 -0.549 -10.038) 10.092 3.540 ( 0.880 -0.549 10.038) 10.092 3.681 ( 2.602 -3.930 -0.586) 4.749 3.681 ( 2.602 -3.930 0.586) 4.749 3.809 ( 0.716 -1.119 -1.940) 2.352 3.809 ( 0.716 -1.119 1.940) 2.352 4.026 ( -0.916 1.437 -9.074) 9.232 4.026 ( -0.916 1.437 9.074) 9.232 4.153 ( 1.872 -4.139 -1.926) 4.934 4.153 ( 1.872 -4.139 1.926) 4.934 4.351 ( 3.522 3.164 -4.575) 6.584 4.351 ( 3.522 3.164 4.575) 6.584 4.572 ( 9.356 1.626 -10.032) 13.814 4.572 ( 9.356 1.626 10.032) 13.814 5.015 ( 1.081 -3.479 -6.168) 7.164 5.015 ( 1.081 -3.479 6.168) 7.164 6.263 ( -6.938 11.677 -9.441) 16.541 6.263 ( -6.938 11.677 9.441) 16.541 6.445 ( -0.747 1.172 -5.564) 5.735 6.445 ( -0.747 1.172 5.564) 5.735 6.847 ( 1.668 3.931 -5.455) 6.928 6.847 ( 1.668 3.931 5.455) 6.928 7.015 ( 1.347 1.465 -2.920) 3.534 7.015 ( 1.347 1.465 2.920) 3.534 7.520 ( -2.873 -3.963 -1.196) 5.039 7.520 ( -2.873 -3.963 1.196) 5.039 7.689 ( -3.705 -2.102 -1.302) 4.454 7.689 ( -3.705 -2.102 1.302) 4.454 7.983 ( 3.787 -2.528 -4.515) 6.413 7.983 ( 3.787 -2.528 4.515) 6.413 8.198 ( 2.003 6.031 -1.943) 6.646 8.198 ( 2.003 6.031 1.943) 6.646 8.462 ( 5.420 -15.647 -9.573) 19.128 8.462 ( 5.420 -15.647 9.573) 19.128 8.753 ( -1.304 -1.440 -0.915) 2.147 8.753 ( -1.304 -1.440 0.915) 2.147 9.405 ( 2.147 1.612 -9.021) 9.412 9.405 ( 2.147 1.612 9.021) 9.412 10.205 ( -2.562 -1.945 -1.478) 3.540 10.205 ( -2.562 -1.945 1.478) 3.540 10.376 ( -1.257 -4.461 -1.788) 4.968 10.376 ( -1.257 -4.461 1.788) 4.968 10.499 ( -6.021 -1.820 -6.406) 8.978 10.499 ( -6.021 -1.820 6.406) 8.978 12.231 ( -9.672 0.359 -8.183) 12.674 12.231 ( -9.672 0.359 8.183) 12.674 12.739 ( 2.837 -3.387 -4.723) 6.467 12.739 ( 2.837 -3.387 4.723) 6.467 13.041 ( -7.743 13.018 -10.134) 18.224 13.041 ( -7.743 13.018 10.134) 18.224 14.167 ( -7.607 -4.739 -11.922) 14.915 14.167 ( -7.607 -4.739 11.922) 14.915 15.000 ( 8.503 1.697 -4.913) 9.965 15.000 ( 8.503 1.697 4.913) 9.965 15.392 ( -1.993 -6.419 -3.561) 7.606 15.392 ( -1.993 -6.419 3.561) 7.606 15.810 ( 8.591 0.344 -0.783) 8.634 15.810 ( 8.591 0.344 0.783) 8.634 16.108 ( 0.439 -1.794 -11.236) 11.387 16.108 ( 0.439 -1.794 11.236) 11.387 23.780 ( -0.194 -0.023 -3.965) 3.969 23.780 ( -0.194 -0.023 3.965) 3.969 23.871 ( 0.113 -0.718 -0.557) 0.916 23.871 ( 0.113 -0.718 0.557) 0.916 24.320 ( -2.505 1.659 -6.615) 7.266 24.320 ( -2.505 1.659 6.615) 7.266 24.398 ( -3.513 1.777 -10.624) 11.330 24.398 ( -3.513 1.777 10.624) 11.330 26.406 ( -5.329 -0.771 -3.033) 6.180 26.406 ( -5.329 -0.771 3.033) 6.180 26.619 ( 0.808 -4.793 -2.985) 5.704 26.619 ( 0.808 -4.793 2.985) 5.704 26.958 ( 5.581 4.974 -2.704) 7.950 26.958 ( 5.581 4.974 2.704) 7.950 27.380 ( 0.785 -4.417 -9.568) 10.567 27.380 ( 0.785 -4.417 9.568) 10.567 ======================= Grid point 148 (48/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 3.306 5.823 -5.704) 8.797 1.410 ( 3.306 5.823 5.704) 8.797 1.652 ( 10.581 11.870 -11.410) 19.572 1.652 ( 10.581 11.870 11.410) 19.572 2.071 ( 2.239 1.068 -9.023) 9.358 2.071 ( 2.239 1.068 9.023) 9.358 2.151 ( 8.191 6.577 -10.064) 14.548 2.151 ( 8.191 6.577 10.064) 14.548 2.557 ( -0.152 -4.478 -5.410) 7.025 2.557 ( -0.152 -4.478 5.410) 7.025 2.786 ( 6.924 -3.345 -6.415) 10.014 2.786 ( 6.924 -3.345 6.415) 10.014 2.969 ( -1.881 2.610 -4.035) 5.160 2.969 ( -1.881 2.610 4.035) 5.160 3.097 ( 3.954 2.733 -5.649) 7.417 3.097 ( 3.954 2.733 5.649) 7.417 3.297 ( 4.977 -1.329 -0.650) 5.192 3.297 ( 4.977 -1.329 0.650) 5.192 3.385 ( -0.894 -1.111 -3.748) 4.010 3.385 ( -0.894 -1.111 3.748) 4.010 3.626 ( 2.650 -2.499 -8.375) 9.133 3.626 ( 2.650 -2.499 8.375) 9.133 3.713 ( 8.182 -1.229 -1.966) 8.504 3.713 ( 8.182 -1.229 1.966) 8.504 3.871 ( 4.939 0.761 -2.798) 5.727 3.871 ( 4.939 0.761 2.798) 5.727 4.036 ( 1.072 3.778 -4.487) 5.963 4.036 ( 1.072 3.778 4.487) 5.963 4.225 ( 5.101 -3.210 -4.074) 7.275 4.225 ( 5.101 -3.210 4.074) 7.275 4.492 ( 9.157 0.457 -2.061) 9.397 4.492 ( 9.157 0.457 2.061) 9.397 4.810 ( 14.613 2.340 -10.234) 17.993 4.810 ( 14.613 2.340 10.234) 17.993 5.057 ( 3.983 -2.255 -7.367) 8.674 5.057 ( 3.983 -2.255 7.367) 8.674 6.133 ( -5.432 6.944 -7.993) 11.900 6.133 ( -5.432 6.944 7.993) 11.900 6.425 ( -1.179 0.110 -6.084) 6.199 6.425 ( -1.179 0.110 6.084) 6.199 6.872 ( 0.684 4.739 -4.894) 6.847 6.872 ( 0.684 4.739 4.894) 6.847 7.049 ( 2.111 1.805 -1.670) 3.241 7.049 ( 2.111 1.805 1.670) 3.241 7.445 ( -3.890 -1.826 -0.796) 4.371 7.445 ( -3.890 -1.826 0.796) 4.371 7.643 ( -1.118 -5.514 -1.803) 5.908 7.643 ( -1.118 -5.514 1.803) 5.908 8.015 ( -1.118 -1.970 -6.519) 6.901 8.015 ( -1.118 -1.970 6.519) 6.901 8.259 ( 3.391 1.959 -2.338) 4.561 8.259 ( 3.391 1.959 2.338) 4.561 8.493 ( -2.878 -12.137 -9.784) 15.853 8.493 ( -2.878 -12.137 9.784) 15.853 8.728 ( -0.796 2.063 -3.112) 3.818 8.728 ( -0.796 2.063 3.112) 3.818 9.461 ( 3.280 2.316 -8.936) 9.796 9.461 ( 3.280 2.316 8.936) 9.796 10.143 ( -3.110 -2.989 -1.165) 4.468 10.143 ( -3.110 -2.989 1.165) 4.468 10.263 ( -10.257 -2.711 -4.682) 11.596 10.263 ( -10.257 -2.711 4.682) 11.596 10.424 ( -0.856 -5.024 -0.918) 5.178 10.424 ( -0.856 -5.024 0.918) 5.178 12.060 ( -6.917 2.096 -4.894) 8.729 12.060 ( -6.917 2.096 4.894) 8.729 12.739 ( -2.556 -0.645 -6.465) 6.982 12.739 ( -2.556 -0.645 6.465) 6.982 12.913 ( -4.600 8.831 -11.196) 14.984 12.913 ( -4.600 8.831 11.196) 14.984 14.001 ( -7.967 -4.442 -12.590) 15.547 14.001 ( -7.967 -4.442 12.590) 15.547 15.114 ( 0.466 1.829 -2.636) 3.242 15.114 ( 0.466 1.829 2.636) 3.242 15.378 ( 2.924 -1.171 -7.986) 8.584 15.378 ( 2.924 -1.171 7.986) 8.584 16.016 ( 10.458 -1.990 -0.777) 10.674 16.016 ( 10.458 -1.990 0.777) 10.674 16.111 ( -0.028 -1.751 -10.508) 10.653 16.111 ( -0.028 -1.751 10.508) 10.653 23.773 ( -0.470 0.175 -3.669) 3.703 23.773 ( -0.470 0.175 3.669) 3.703 23.880 ( 0.811 -0.584 -0.415) 1.082 23.880 ( 0.811 -0.584 0.415) 1.082 24.241 ( -4.631 2.998 -9.321) 10.831 24.241 ( -4.631 2.998 9.321) 10.831 24.350 ( -1.573 0.391 -8.492) 8.645 24.350 ( -1.573 0.391 8.492) 8.645 26.331 ( -2.546 -0.197 -3.830) 4.604 26.331 ( -2.546 -0.197 3.830) 4.604 26.604 ( -1.737 -3.974 -2.478) 4.995 26.604 ( -1.737 -3.974 2.478) 4.995 27.005 ( -0.782 2.697 -5.720) 6.372 27.005 ( -0.782 2.697 5.720) 6.372 27.448 ( 5.470 -3.000 -14.113) 15.430 27.448 ( 5.470 -3.000 14.113) 15.430 ======================= Grid point 150 (49/60) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.038 5.000 -1.703) 5.661 1.466 ( 2.038 5.000 1.703) 5.661 1.862 ( 9.811 11.525 -5.300) 16.037 1.862 ( 9.811 11.525 5.300) 16.037 2.123 ( 2.695 -1.355 -7.515) 8.097 2.123 ( 2.695 -1.355 7.515) 8.097 2.301 ( 7.035 3.539 -11.937) 14.301 2.301 ( 7.035 3.539 11.937) 14.301 2.463 ( -6.058 -2.841 -5.011) 8.359 2.463 ( -6.058 -2.841 5.011) 8.359 2.858 ( -7.055 2.780 -4.952) 9.057 2.858 ( -7.055 2.780 4.952) 9.057 2.950 ( 6.200 -4.403 -4.329) 8.750 2.950 ( 6.200 -4.403 4.329) 8.750 3.191 ( 3.452 3.547 -2.813) 5.693 3.191 ( 3.452 3.547 2.813) 5.693 3.314 ( -2.198 2.843 -1.103) 3.759 3.314 ( -2.198 2.843 1.103) 3.759 3.405 ( 3.709 -5.091 -5.280) 8.219 3.405 ( 3.709 -5.091 5.280) 8.219 3.597 ( -3.121 -2.594 -8.237) 9.182 3.597 ( -3.121 -2.594 8.237) 9.182 3.839 ( 2.355 -1.917 -5.246) 6.062 3.839 ( 2.355 -1.917 5.246) 6.062 4.008 ( 4.791 1.727 -2.823) 5.823 4.008 ( 4.791 1.727 2.823) 5.823 4.155 ( 8.414 -0.680 -3.759) 9.240 4.155 ( 8.414 -0.680 3.759) 9.240 4.326 ( 7.663 3.546 -3.295) 9.064 4.326 ( 7.663 3.546 3.295) 9.064 4.626 ( 2.923 -0.655 -4.246) 5.197 4.626 ( 2.923 -0.655 4.246) 5.197 5.065 ( 10.261 1.470 -1.853) 10.530 5.065 ( 10.261 1.470 1.853) 10.530 5.207 ( 8.929 1.748 -2.359) 9.399 5.207 ( 8.929 1.748 2.359) 9.399 6.061 ( -1.947 3.621 -7.288) 8.367 6.061 ( -1.947 3.621 7.288) 8.367 6.403 ( -0.906 -1.073 -6.682) 6.828 6.403 ( -0.906 -1.073 6.682) 6.828 6.876 ( -0.087 4.919 -4.409) 6.606 6.876 ( -0.087 4.919 4.409) 6.606 7.099 ( 2.786 1.802 -0.876) 3.432 7.099 ( 2.786 1.802 0.876) 3.432 7.409 ( 1.471 -1.819 -0.452) 2.382 7.409 ( 1.471 -1.819 0.452) 2.382 7.629 ( -0.814 -6.115 -1.948) 6.469 7.629 ( -0.814 -6.115 1.948) 6.469 7.914 ( -9.382 -5.681 -9.512) 14.518 7.914 ( -9.382 -5.681 9.512) 14.518 8.303 ( 0.856 3.200 -4.588) 5.659 8.303 ( 0.856 3.200 4.588) 5.659 8.400 ( -4.369 -8.506 -4.817) 10.708 8.400 ( -4.369 -8.506 4.817) 10.708 8.728 ( 0.620 4.861 -6.346) 8.018 8.728 ( 0.620 4.861 6.346) 8.018 9.521 ( 2.418 2.332 -9.093) 9.694 9.521 ( 2.418 2.332 9.093) 9.694 10.056 ( -8.043 -0.804 -5.907) 10.011 10.056 ( -8.043 -0.804 5.907) 10.011 10.101 ( -2.015 -5.593 -1.034) 6.034 10.101 ( -2.015 -5.593 1.034) 6.034 10.417 ( -0.231 -6.605 -2.052) 6.921 10.417 ( -0.231 -6.605 2.052) 6.921 11.964 ( -2.939 1.710 -2.923) 4.484 11.964 ( -2.939 1.710 2.923) 4.484 12.696 ( -0.780 6.302 -5.699) 8.533 12.696 ( -0.780 6.302 5.699) 8.533 12.830 ( -4.262 1.856 -8.655) 9.824 12.830 ( -4.262 1.856 8.655) 9.824 13.880 ( -4.094 -4.268 -13.222) 14.484 13.880 ( -4.094 -4.268 13.222) 14.484 15.063 ( -3.247 3.137 -5.393) 7.034 15.063 ( -3.247 3.137 5.393) 7.034 15.468 ( 4.230 0.393 -12.273) 12.987 15.468 ( 4.230 0.393 12.273) 12.987 16.096 ( -0.348 -1.598 -10.921) 11.043 16.096 ( -0.348 -1.598 10.921) 11.043 16.194 ( 6.122 -2.466 -0.816) 6.650 16.194 ( 6.122 -2.466 0.816) 6.650 23.764 ( -0.359 0.346 -3.569) 3.604 23.764 ( -0.359 0.346 3.569) 3.604 23.898 ( 0.831 -0.753 -0.525) 1.239 23.898 ( 0.831 -0.753 0.525) 1.239 24.165 ( -2.757 3.004 -10.644) 11.398 24.165 ( -2.757 3.004 10.644) 11.398 24.326 ( -0.873 0.178 -6.420) 6.482 24.326 ( -0.873 0.178 6.420) 6.482 26.297 ( -1.058 -0.229 -4.476) 4.605 26.297 ( -1.058 -0.229 4.476) 4.605 26.568 ( -1.593 -3.735 -2.094) 4.569 26.568 ( -1.593 -3.735 2.094) 4.569 26.972 ( -1.679 3.382 -6.133) 7.202 26.972 ( -1.679 3.382 6.133) 7.202 27.548 ( 3.866 -3.205 -17.410) 18.120 27.548 ( 3.866 -3.205 17.410) 18.120 ======================= Grid point 152 (50/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 5.269 -2.442) 5.807 1.486 ( -0.000 5.269 2.442) 5.807 1.980 ( -0.000 11.134 -3.863) 11.785 1.980 ( -0.000 11.134 3.863) 11.785 2.154 ( 0.000 -2.495 -6.326) 6.801 2.154 ( 0.000 -2.495 6.326) 6.801 2.352 ( -0.000 -5.494 -7.329) 9.160 2.352 ( -0.000 -5.494 7.329) 9.160 2.428 ( 0.000 5.039 -10.834) 11.948 2.428 ( 0.000 5.039 10.834) 11.948 2.757 ( 0.000 3.118 -8.592) 9.140 2.757 ( 0.000 3.118 8.592) 9.140 3.018 ( 0.000 -1.990 -4.548) 4.964 3.018 ( -0.000 -1.990 4.548) 4.964 3.208 ( 0.000 -2.924 -5.649) 6.361 3.208 ( 0.000 -2.924 5.649) 6.361 3.303 ( 0.000 9.520 -3.322) 10.083 3.303 ( 0.000 9.520 3.322) 10.083 3.457 ( 0.000 -9.185 -3.300) 9.760 3.457 ( 0.000 -9.185 3.300) 9.760 3.550 ( 0.000 0.128 -9.432) 9.433 3.550 ( 0.000 0.128 9.432) 9.433 3.852 ( 0.000 -1.650 -4.396) 4.695 3.852 ( 0.000 -1.650 4.396) 4.695 4.069 ( 0.000 1.948 -1.846) 2.684 4.069 ( 0.000 1.948 1.846) 2.684 4.204 ( 0.000 -4.355 -1.667) 4.663 4.204 ( -0.000 -4.355 1.667) 4.663 4.473 ( 0.000 5.875 -6.673) 8.891 4.473 ( 0.000 5.875 6.673) 8.891 4.623 ( 0.000 -1.212 -6.380) 6.494 4.623 ( 0.000 -1.212 6.380) 6.494 5.210 ( -0.000 1.053 -11.503) 11.551 5.210 ( 0.000 1.053 11.503) 11.551 5.276 ( 0.000 4.864 -9.200) 10.406 5.276 ( 0.000 4.864 9.200) 10.406 6.045 ( 0.000 2.376 -7.180) 7.563 6.045 ( 0.000 2.376 7.180) 7.563 6.394 ( 0.000 -1.624 -7.054) 7.238 6.394 ( 0.000 -1.624 7.054) 7.238 6.875 ( 0.000 5.106 -4.246) 6.641 6.875 ( 0.000 5.106 4.246) 6.641 7.132 ( 0.000 1.265 -0.815) 1.505 7.132 ( -0.000 1.265 0.815) 1.505 7.500 ( 0.000 -4.478 -0.758) 4.541 7.500 ( 0.000 -4.478 0.758) 4.541 7.581 ( 0.000 -0.776 -2.506) 2.624 7.581 ( -0.000 -0.776 2.506) 2.624 7.762 ( 0.000 -10.831 -11.713) 15.953 7.762 ( 0.000 -10.831 11.713) 15.953 8.307 ( 0.000 8.979 -6.927) 11.340 8.307 ( 0.000 8.979 6.927) 11.340 8.359 ( 0.000 -11.054 -5.403) 12.304 8.359 ( 0.000 -11.054 5.403) 12.304 8.738 ( 0.000 5.505 -7.787) 9.537 8.738 ( 0.000 5.505 7.787) 9.537 9.546 ( 0.000 2.083 -9.387) 9.615 9.546 ( 0.000 2.083 9.387) 9.615 9.969 ( 0.000 -0.378 -6.225) 6.237 9.969 ( 0.000 -0.378 6.225) 6.237 10.084 ( 0.000 -6.433 -1.356) 6.575 10.084 ( 0.000 -6.433 1.356) 6.575 10.414 ( 0.000 -6.903 -2.113) 7.219 10.414 ( 0.000 -6.903 2.113) 7.219 11.936 ( 0.000 1.269 -2.272) 2.602 11.936 ( 0.000 1.269 2.272) 2.602 12.704 ( 0.000 13.666 -10.892) 17.475 12.704 ( 0.000 13.666 10.892) 17.475 12.770 ( 0.000 -5.302 -12.518) 13.595 12.770 ( -0.000 -5.302 12.518) 13.595 13.840 ( 0.000 -4.214 -13.517) 14.159 13.840 ( 0.000 -4.214 13.517) 14.159 15.028 ( 0.000 3.766 -4.912) 6.190 15.028 ( 0.000 3.766 4.912) 6.190 15.512 ( 0.000 0.589 -12.431) 12.445 15.512 ( 0.000 0.589 12.431) 12.445 16.091 ( 0.000 -1.377 -10.883) 10.970 16.091 ( 0.000 -1.377 10.883) 10.970 16.256 ( 0.000 -2.621 -0.900) 2.771 16.256 ( 0.000 -2.621 0.900) 2.771 23.761 ( -0.000 0.402 -3.615) 3.638 23.761 ( -0.000 0.402 3.615) 3.638 23.907 ( 0.000 -0.885 -0.596) 1.067 23.907 ( 0.000 -0.885 0.596) 1.067 24.137 ( 0.000 2.996 -11.101) 11.498 24.137 ( 0.000 2.996 11.101) 11.498 24.317 ( 0.000 0.138 -5.434) 5.436 24.317 ( 0.000 0.138 5.434) 5.436 26.287 ( 0.000 -0.283 -4.644) 4.653 26.287 ( 0.000 -0.283 4.644) 4.653 26.551 ( -0.000 -3.626 -1.914) 4.100 26.551 ( 0.000 -3.626 1.914) 4.100 26.954 ( 0.000 3.787 -5.621) 6.778 26.954 ( 0.000 3.787 5.621) 6.778 27.587 ( 0.000 -3.394 -17.921) 18.240 27.587 ( 0.000 -3.394 17.921) 18.240 ======================= Grid point 162 (51/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 15.446 -18.335) 23.974 1.623 ( 0.000 15.446 18.335) 23.974 1.626 ( 0.000 11.318 -15.605) 19.278 1.626 ( 0.000 11.318 15.605) 19.278 1.964 ( 0.000 10.145 -8.328) 13.125 1.964 ( 0.000 10.145 8.328) 13.125 1.970 ( 0.000 -2.876 -7.247) 7.797 1.970 ( 0.000 -2.876 7.247) 7.797 2.524 ( 0.000 7.432 -9.859) 12.347 2.524 ( 0.000 7.432 9.859) 12.347 2.737 ( 0.000 -7.051 -2.376) 7.441 2.737 ( 0.000 -7.051 2.376) 7.441 2.807 ( 0.000 -8.379 -4.814) 9.664 2.807 ( 0.000 -8.379 4.814) 9.664 2.983 ( 0.000 -4.428 -1.412) 4.647 2.983 ( 0.000 -4.428 1.412) 4.647 3.171 ( 0.000 4.821 -4.852) 6.840 3.171 ( 0.000 4.821 4.852) 6.840 3.231 ( 0.000 1.983 -7.163) 7.432 3.231 ( 0.000 1.983 7.163) 7.432 3.531 ( 0.000 -1.268 -6.366) 6.492 3.531 ( 0.000 -1.268 6.366) 6.492 3.549 ( 0.000 -2.449 -7.475) 7.866 3.549 ( 0.000 -2.449 7.475) 7.866 3.794 ( 0.000 0.970 -7.820) 7.880 3.794 ( 0.000 0.970 7.820) 7.880 4.023 ( 0.000 -3.953 -2.906) 4.906 4.023 ( 0.000 -3.953 2.906) 4.906 4.127 ( 0.000 4.413 -12.927) 13.659 4.127 ( 0.000 4.413 12.927) 13.659 4.405 ( 0.000 1.591 -2.523) 2.982 4.405 ( 0.000 1.591 2.523) 2.982 4.501 ( 0.000 3.178 -9.217) 9.750 4.501 ( 0.000 3.178 9.217) 9.750 4.889 ( 0.000 -7.749 -3.735) 8.602 4.889 ( 0.000 -7.749 3.735) 8.602 6.510 ( 0.000 4.380 -5.933) 7.374 6.510 ( 0.000 4.380 5.933) 7.374 6.607 ( 0.000 9.267 -12.883) 15.870 6.607 ( 0.000 9.267 12.883) 15.870 6.893 ( 0.000 3.609 -6.125) 7.109 6.893 ( 0.000 3.609 6.125) 7.109 7.035 ( 0.000 1.358 -2.595) 2.928 7.035 ( 0.000 1.358 2.595) 2.928 7.445 ( 0.000 -3.778 -3.050) 4.856 7.445 ( 0.000 -3.778 3.050) 4.856 7.770 ( 0.000 1.412 -0.485) 1.493 7.770 ( 0.000 1.412 0.485) 1.493 7.816 ( 0.000 -10.578 -8.900) 13.824 7.816 ( 0.000 -10.578 8.900) 13.824 7.997 ( 0.000 -14.178 -4.946) 15.016 7.997 ( 0.000 -14.178 4.946) 15.016 8.391 ( 0.000 11.190 -2.488) 11.463 8.391 ( 0.000 11.190 2.488) 11.463 8.727 ( 0.000 -1.424 -2.775) 3.119 8.727 ( 0.000 -1.424 2.775) 3.119 9.421 ( 0.000 2.761 -9.633) 10.021 9.421 ( 0.000 2.761 9.633) 10.021 10.036 ( 0.000 -14.408 -5.101) 15.284 10.036 ( 0.000 -14.408 5.101) 15.284 10.397 ( 0.000 1.777 -1.354) 2.234 10.397 ( 0.000 1.777 1.354) 2.234 10.515 ( 0.000 -2.864 -6.489) 7.092 10.515 ( 0.000 -2.864 6.489) 7.092 12.364 ( 0.000 2.969 -13.421) 13.746 12.364 ( 0.000 2.969 13.421) 13.746 12.642 ( 0.000 -3.023 -5.192) 6.007 12.642 ( 0.000 -3.023 5.192) 6.007 13.420 ( 0.000 14.250 -10.327) 17.598 13.420 ( 0.000 14.250 10.327) 17.598 14.112 ( 0.000 -8.578 -11.463) 14.317 14.112 ( 0.000 -8.578 11.463) 14.317 14.947 ( 0.000 2.843 -5.214) 5.939 14.947 ( 0.000 2.843 5.214) 5.939 15.209 ( 0.000 -8.215 -8.735) 11.991 15.209 ( 0.000 -8.215 8.735) 11.991 15.789 ( 0.000 3.899 -3.946) 5.548 15.789 ( 0.000 3.899 3.946) 5.548 16.053 ( 0.000 -3.258 -10.978) 11.451 16.053 ( 0.000 -3.258 10.978) 11.451 23.784 ( 0.000 0.362 -3.374) 3.393 23.784 ( 0.000 0.362 3.374) 3.393 23.849 ( 0.000 -1.293 -0.363) 1.343 23.849 ( 0.000 -1.293 0.363) 1.343 24.364 ( 0.000 1.587 -9.807) 9.934 24.364 ( 0.000 1.587 9.807) 9.934 24.473 ( 0.000 -0.009 -17.271) 17.271 24.473 ( 0.000 -0.009 17.271) 17.271 26.466 ( 0.000 -3.458 -2.211) 4.105 26.466 ( 0.000 -3.458 2.211) 4.105 26.478 ( 0.000 -2.309 -4.427) 4.992 26.478 ( 0.000 -2.309 4.427) 4.992 27.033 ( 0.000 7.039 -4.812) 8.526 27.033 ( 0.000 7.039 4.812) 8.526 27.281 ( 0.000 -4.023 -14.007) 14.573 27.281 ( 0.000 -4.023 14.007) 14.573 ======================= Grid point 164 (52/60) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.815 13.359 -9.605) 16.473 1.601 ( -0.815 13.359 9.605) 16.473 1.697 ( 6.237 11.658 -12.051) 17.889 1.697 ( 6.237 11.658 12.051) 17.889 1.993 ( 2.372 -2.433 -6.523) 7.355 1.993 ( 2.372 -2.433 6.523) 7.355 2.146 ( 14.749 9.238 -7.084) 18.789 2.146 ( 14.749 9.238 7.084) 18.789 2.514 ( -0.394 6.448 -8.102) 10.362 2.514 ( -0.394 6.448 8.102) 10.362 2.681 ( -3.839 -7.849 -1.718) 8.905 2.681 ( -3.839 -7.849 1.718) 8.905 2.895 ( 6.380 -5.888 -4.690) 9.868 2.895 ( 6.380 -5.888 4.690) 9.868 3.008 ( 2.105 -4.183 -1.954) 5.074 3.008 ( 2.105 -4.183 1.954) 5.074 3.223 ( 3.996 3.268 -3.074) 6.008 3.223 ( 3.996 3.268 3.074) 6.008 3.327 ( 9.102 3.633 -6.994) 12.040 3.327 ( 9.102 3.633 6.994) 12.040 3.503 ( -1.740 -3.037 -6.011) 6.956 3.503 ( -1.740 -3.037 6.011) 6.956 3.612 ( 4.603 -2.228 -3.552) 6.227 3.612 ( 4.603 -2.228 3.552) 6.227 3.818 ( 3.288 2.447 -5.488) 6.849 3.818 ( 3.288 2.447 5.488) 6.849 4.014 ( 0.186 -2.406 -3.142) 3.962 4.014 ( 0.186 -2.406 3.142) 3.962 4.151 ( 2.098 4.007 -7.790) 9.008 4.151 ( 2.098 4.007 7.790) 9.008 4.409 ( 2.351 2.428 -2.471) 4.186 4.409 ( 2.351 2.428 2.471) 4.186 4.601 ( 8.698 1.233 -8.028) 11.901 4.601 ( 8.698 1.233 8.028) 11.901 4.908 ( 2.042 -7.221 -4.229) 8.614 4.908 ( 2.042 -7.221 4.229) 8.614 6.466 ( -7.109 5.915 -5.082) 10.552 6.466 ( -7.109 5.915 5.082) 10.552 6.498 ( -5.465 5.460 -3.154) 8.344 6.498 ( -5.465 5.460 3.154) 8.344 6.940 ( 3.334 4.875 -5.040) 7.764 6.940 ( 3.334 4.875 5.040) 7.764 7.056 ( 1.854 2.441 -1.834) 3.573 7.056 ( 1.854 2.441 1.834) 3.573 7.434 ( -1.256 -4.013 -2.434) 4.859 7.434 ( -1.256 -4.013 2.434) 4.859 7.639 ( -7.107 -3.885 -1.767) 8.290 7.639 ( -7.107 -3.885 1.767) 8.290 7.906 ( 3.654 -5.241 -5.896) 8.694 7.906 ( 3.654 -5.241 5.896) 8.694 8.056 ( 4.054 -14.688 -2.738) 15.481 8.056 ( 4.054 -14.688 2.738) 15.481 8.431 ( 3.418 10.180 -4.508) 11.647 8.431 ( 3.418 10.180 4.508) 11.647 8.742 ( 1.425 -0.008 -3.435) 3.719 8.742 ( 1.425 -0.008 3.435) 3.719 9.439 ( 1.829 2.058 -9.575) 9.963 9.439 ( 1.829 2.058 9.575) 9.963 10.022 ( -1.546 -14.398 -5.121) 15.360 10.022 ( -1.546 -14.398 5.121) 15.360 10.354 ( -4.186 0.877 -0.605) 4.320 10.354 ( -4.186 0.877 0.605) 4.320 10.455 ( -5.624 -2.477 -5.188) 8.043 10.455 ( -5.624 -2.477 5.188) 8.043 12.286 ( -6.488 5.063 -10.201) 13.107 12.286 ( -6.488 5.063 10.201) 13.107 12.659 ( 0.738 -4.825 -5.755) 7.546 12.659 ( 0.738 -4.825 5.755) 7.546 13.322 ( -8.070 14.452 -11.148) 19.957 13.322 ( -8.070 14.452 11.148) 19.957 14.033 ( -7.265 -8.572 -11.823) 16.311 14.033 ( -7.265 -8.572 11.823) 16.311 15.045 ( 8.315 2.704 -5.005) 10.075 15.045 ( 8.315 2.704 5.005) 10.075 15.262 ( 3.834 -5.831 -6.938) 9.841 15.262 ( 3.834 -5.831 6.938) 9.841 15.836 ( 5.082 2.336 -3.203) 6.445 15.836 ( 5.082 2.336 3.203) 6.445 16.057 ( 0.301 -3.302 -10.701) 11.203 16.057 ( 0.301 -3.302 10.701) 11.203 23.783 ( -0.039 0.434 -3.344) 3.372 23.783 ( -0.039 0.434 3.344) 3.372 23.851 ( 0.286 -1.244 -0.556) 1.392 23.851 ( 0.286 -1.244 0.556) 1.392 24.353 ( -1.261 1.662 -8.383) 8.639 24.353 ( -1.261 1.662 8.383) 8.639 24.428 ( -3.960 0.685 -14.601) 15.144 24.428 ( -3.960 0.685 14.601) 15.144 26.390 ( -3.883 -0.652 -2.933) 4.910 26.390 ( -3.883 -0.652 2.933) 4.910 26.517 ( 0.568 -5.031 -3.543) 6.180 26.517 ( 0.568 -5.031 3.543) 6.180 27.067 ( 2.229 5.586 -4.339) 7.416 27.067 ( 2.229 5.586 4.339) 7.416 27.300 ( 2.476 -3.312 -11.464) 12.187 27.300 ( 2.476 -3.312 11.464) 12.187 ======================= Grid point 166 (53/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.537 11.566 -4.324) 12.360 1.598 ( 0.537 11.566 4.324) 12.360 1.861 ( 9.731 9.082 -10.771) 17.123 1.861 ( 9.731 9.082 10.771) 17.123 2.048 ( 2.836 -2.353 -5.322) 6.474 2.048 ( 2.836 -2.353 5.322) 6.474 2.371 ( 5.058 12.802 -7.933) 15.887 2.371 ( 5.058 12.802 7.933) 15.887 2.526 ( -1.199 0.440 -2.783) 3.062 2.526 ( -1.199 0.440 2.783) 3.062 2.662 ( 6.323 -6.726 -3.914) 10.027 2.662 ( 6.323 -6.726 3.914) 10.027 2.970 ( -0.233 -3.013 -3.141) 4.359 2.970 ( -0.233 -3.013 3.141) 4.359 3.077 ( 4.567 -5.067 -2.161) 7.155 3.077 ( 4.567 -5.067 2.161) 7.155 3.286 ( 1.819 -0.349 -0.604) 1.948 3.286 ( 1.819 -0.349 0.604) 1.948 3.405 ( -1.414 1.363 -4.400) 4.818 3.405 ( -1.414 1.363 4.400) 4.818 3.582 ( 6.160 0.600 -5.511) 8.287 3.582 ( 6.160 0.600 5.511) 8.287 3.707 ( 6.818 0.117 -3.605) 7.713 3.707 ( 6.818 0.117 3.605) 7.713 3.899 ( 4.526 2.006 -5.058) 7.078 3.899 ( 4.526 2.006 5.058) 7.078 4.067 ( 3.638 -1.819 -4.453) 6.031 4.067 ( 3.638 -1.819 4.453) 6.031 4.235 ( 7.782 5.898 -3.754) 10.461 4.235 ( 7.782 5.898 3.754) 10.461 4.513 ( 7.228 1.528 -1.209) 7.486 4.513 ( 7.228 1.528 1.209) 7.486 4.831 ( 13.817 -0.492 -6.229) 15.164 4.831 ( 13.817 -0.492 6.229) 15.164 4.989 ( 7.721 -4.536 -4.848) 10.183 4.989 ( 7.721 -4.536 4.848) 10.183 6.281 ( -8.742 6.899 -9.015) 14.328 6.281 ( -8.742 6.899 9.015) 14.328 6.428 ( -3.333 0.148 -5.800) 6.691 6.428 ( -3.333 0.148 5.800) 6.691 6.988 ( 1.280 6.493 -4.919) 8.246 6.988 ( 1.280 6.493 4.919) 8.246 7.103 ( 2.753 3.386 -1.827) 4.731 7.103 ( 2.753 3.386 1.827) 4.731 7.394 ( -2.571 -3.273 -0.707) 4.222 7.394 ( -2.571 -3.273 0.707) 4.222 7.529 ( -3.851 -5.526 -1.177) 6.838 7.529 ( -3.851 -5.526 1.177) 6.838 7.929 ( -2.116 -6.075 -6.072) 8.846 7.929 ( -2.116 -6.075 6.072) 8.846 8.110 ( 1.421 -13.107 -2.738) 13.465 8.110 ( 1.421 -13.107 2.738) 13.465 8.491 ( 2.108 9.750 -5.766) 11.521 8.491 ( 2.108 9.750 5.766) 11.521 8.778 ( 2.092 2.612 -4.969) 5.991 8.778 ( 2.092 2.612 4.969) 5.991 9.487 ( 2.775 0.344 -9.658) 10.054 9.487 ( 2.775 0.344 9.658) 10.054 9.972 ( -3.322 -13.834 -4.541) 14.935 9.972 ( -3.322 -13.834 4.541) 14.935 10.230 ( -8.524 -0.105 -3.565) 9.240 10.230 ( -8.524 -0.105 3.565) 9.240 10.339 ( -4.654 -3.269 -1.132) 5.799 10.339 ( -4.654 -3.269 1.132) 5.799 12.156 ( -5.979 7.299 -6.153) 11.264 12.156 ( -5.979 7.299 6.153) 11.264 12.653 ( -1.126 -6.606 -7.507) 10.063 12.653 ( -1.126 -6.606 7.507) 10.063 13.165 ( -7.132 14.242 -12.264) 20.102 13.165 ( -7.132 14.242 12.264) 20.102 13.875 ( -7.644 -8.222 -12.325) 16.672 13.875 ( -7.644 -8.222 12.325) 16.672 15.168 ( 1.984 3.532 -4.796) 6.278 15.168 ( 1.984 3.532 4.796) 6.278 15.351 ( 6.144 -1.508 -6.325) 8.946 15.351 ( 6.144 -1.508 6.325) 8.946 15.979 ( 8.149 -1.378 -2.528) 8.643 15.979 ( 8.149 -1.378 2.528) 8.643 16.063 ( 0.464 -2.910 -9.416) 9.867 16.063 ( 0.464 -2.910 9.416) 9.867 23.781 ( -0.203 0.669 -3.250) 3.324 23.781 ( -0.203 0.669 3.250) 3.324 23.861 ( 0.661 -1.337 -1.051) 1.824 23.861 ( 0.661 -1.337 1.051) 1.824 24.303 ( -3.764 2.846 -9.656) 10.747 24.303 ( -3.764 2.846 9.656) 10.747 24.359 ( -2.247 0.456 -9.301) 9.579 24.359 ( -2.247 0.456 9.301) 9.579 26.328 ( -2.409 0.043 -3.555) 4.294 26.328 ( -2.409 0.043 3.555) 4.294 26.503 ( -1.564 -5.642 -3.345) 6.743 26.503 ( -1.564 -5.642 3.345) 6.743 27.085 ( -0.311 5.175 -6.084) 7.993 27.085 ( -0.311 5.175 6.084) 7.993 27.381 ( 4.961 -3.649 -11.117) 12.709 27.381 ( 4.961 -3.649 11.117) 12.709 ======================= Grid point 168 (54/60) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 1.042 9.446 -0.916) 9.548 1.617 ( 1.042 9.446 0.916) 9.548 2.039 ( 6.297 1.608 -5.272) 8.368 2.039 ( 6.297 1.608 5.272) 8.368 2.110 ( 4.699 2.821 -3.471) 6.488 2.110 ( 4.699 2.821 3.471) 6.488 2.371 ( -4.506 3.377 -4.289) 7.079 2.371 ( -4.506 3.377 4.289) 7.079 2.513 ( 2.776 7.805 -9.344) 12.487 2.513 ( 2.776 7.805 9.344) 12.487 2.837 ( 6.132 -4.159 -1.806) 7.626 2.837 ( 6.132 -4.159 1.806) 7.626 2.920 ( -2.247 0.793 -3.914) 4.582 2.920 ( -2.247 0.793 3.914) 4.582 3.118 ( -0.743 -7.543 -3.437) 8.323 3.118 ( -0.743 -7.543 3.437) 8.323 3.305 ( 0.709 -3.055 -2.284) 3.879 3.305 ( 0.709 -3.055 2.284) 3.879 3.397 ( 0.399 -0.187 -3.379) 3.408 3.397 ( 0.399 -0.187 3.379) 3.408 3.630 ( 1.068 6.587 -8.590) 10.878 3.630 ( 1.068 6.587 8.590) 10.878 3.807 ( 1.715 -0.903 -6.318) 6.609 3.807 ( 1.715 -0.903 6.318) 6.609 4.009 ( 5.397 -1.398 -2.339) 6.046 4.009 ( 5.397 -1.398 2.339) 6.046 4.116 ( 1.025 -2.558 -2.631) 3.810 4.116 ( 1.025 -2.558 2.631) 3.810 4.436 ( 10.648 6.027 -5.278) 13.326 4.436 ( 10.648 6.027 5.278) 13.326 4.624 ( 2.473 0.603 -3.117) 4.025 4.624 ( 2.473 0.603 3.117) 4.025 5.081 ( 12.418 0.730 -5.110) 13.448 5.081 ( 12.418 0.730 5.110) 13.448 5.242 ( 13.421 0.918 -1.494) 13.535 5.242 ( 13.421 0.918 1.494) 13.535 6.149 ( -4.430 4.806 -7.691) 10.093 6.149 ( -4.430 4.806 7.691) 10.093 6.368 ( -2.549 -2.512 -6.266) 7.216 6.368 ( -2.549 -2.512 6.266) 7.216 7.000 ( 0.296 7.065 -4.683) 8.481 7.000 ( 0.296 7.065 4.683) 8.481 7.150 ( 1.689 3.050 -1.572) 3.824 7.150 ( 1.689 3.050 1.572) 3.824 7.358 ( -0.156 -3.121 -0.101) 3.126 7.358 ( -0.156 -3.121 0.101) 3.126 7.477 ( -1.837 -8.174 -2.885) 8.861 7.477 ( -1.837 -8.174 2.885) 8.861 7.812 ( -8.866 -3.822 -5.861) 11.294 7.812 ( -8.866 -3.822 5.861) 11.294 8.124 ( 0.249 -12.101 -4.257) 12.831 8.124 ( 0.249 -12.101 4.257) 12.831 8.514 ( 0.521 11.468 -4.712) 12.409 8.514 ( 0.521 11.468 4.712) 12.409 8.817 ( 1.630 4.024 -6.353) 7.695 8.817 ( 1.630 4.024 6.353) 7.695 9.534 ( 1.681 -1.340 -10.038) 10.266 9.534 ( 1.681 -1.340 10.038) 10.266 9.909 ( -2.555 -13.498 -3.130) 14.090 9.909 ( -2.555 -13.498 3.130) 14.090 10.060 ( -7.138 1.413 -4.960) 8.806 10.060 ( -7.138 1.413 4.960) 8.806 10.279 ( -1.799 -6.114 -1.690) 6.594 10.279 ( -1.799 -6.114 1.690) 6.594 12.064 ( -3.202 7.955 -3.707) 9.342 12.064 ( -3.202 7.955 3.707) 9.342 12.632 ( -0.687 -7.845 -9.197) 12.108 12.632 ( -0.687 -7.845 9.197) 12.108 13.049 ( -4.484 14.511 -11.916) 19.305 13.049 ( -4.484 14.511 11.916) 19.305 13.758 ( -3.954 -7.954 -12.799) 15.579 13.758 ( -3.954 -7.954 12.799) 15.579 15.156 ( -1.557 6.120 -8.700) 10.750 15.156 ( -1.557 6.120 8.700) 10.750 15.467 ( 4.463 -0.928 -12.500) 13.305 15.467 ( 4.463 -0.928 12.500) 13.305 16.057 ( 0.379 -1.956 -9.395) 9.604 16.057 ( 0.379 -1.956 9.395) 9.604 16.133 ( 5.314 -3.443 -2.131) 6.681 16.133 ( 5.314 -3.443 2.131) 6.681 23.777 ( -0.194 0.935 -3.267) 3.403 23.777 ( -0.194 0.935 3.267) 3.403 23.874 ( 0.569 -1.632 -1.479) 2.275 23.874 ( 0.569 -1.632 1.479) 2.275 24.235 ( -2.595 3.606 -11.376) 12.213 24.235 ( -2.595 3.606 11.376) 12.213 24.329 ( -1.041 0.022 -7.698) 7.768 24.329 ( -1.041 0.022 7.698) 7.768 26.293 ( -1.150 0.030 -4.023) 4.184 26.293 ( -1.150 0.030 4.023) 4.184 26.471 ( -1.363 -5.522 -2.987) 6.425 26.471 ( -1.363 -5.522 2.987) 6.425 27.071 ( -0.718 6.428 -5.918) 8.766 27.071 ( -0.718 6.428 5.918) 8.766 27.465 ( 3.153 -4.990 -12.298) 13.641 27.465 ( 3.153 -4.990 12.298) 13.641 ======================= Grid point 170 (55/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 8.615 -1.741) 8.789 1.628 ( -0.000 8.615 1.741) 8.789 2.085 ( 0.000 -4.499 -3.316) 5.589 2.085 ( 0.000 -4.499 3.316) 5.589 2.220 ( -0.000 10.825 -4.178) 11.603 2.220 ( -0.000 10.825 4.178) 11.603 2.274 ( 0.000 -1.514 -4.272) 4.533 2.274 ( 0.000 -1.514 4.272) 4.533 2.569 ( -0.000 9.000 -12.869) 15.703 2.569 ( -0.000 9.000 12.869) 15.703 2.818 ( 0.000 2.674 -3.441) 4.358 2.818 ( 0.000 2.674 3.441) 4.358 2.969 ( 0.000 -2.695 -3.412) 4.348 2.969 ( 0.000 -2.695 3.412) 4.348 3.092 ( 0.000 -8.720 -5.343) 10.227 3.092 ( 0.000 -8.720 5.343) 10.227 3.312 ( 0.000 -3.950 -2.980) 4.948 3.312 ( 0.000 -3.950 2.980) 4.948 3.403 ( 0.000 -1.024 -4.559) 4.673 3.403 ( 0.000 -1.024 4.559) 4.673 3.645 ( 0.000 9.518 -9.970) 13.784 3.645 ( 0.000 9.518 9.970) 13.784 3.813 ( 0.000 -1.684 -7.668) 7.851 3.813 ( 0.000 -1.684 7.668) 7.851 4.089 ( 0.000 -0.111 -1.096) 1.102 4.089 ( 0.000 -0.111 1.096) 1.102 4.100 ( 0.000 -5.453 -2.861) 6.158 4.100 ( -0.000 -5.453 2.861) 6.158 4.595 ( -0.000 5.003 -5.932) 7.760 4.595 ( -0.000 5.003 5.932) 7.760 4.597 ( 0.000 -0.941 -5.622) 5.700 4.597 ( 0.000 -0.941 5.622) 5.700 5.249 ( -0.000 3.132 -9.934) 10.416 5.249 ( 0.000 3.132 9.934) 10.416 5.374 ( 0.000 3.998 -5.645) 6.917 5.374 ( 0.000 3.998 5.645) 6.917 6.106 ( 0.000 3.572 -7.445) 8.257 6.106 ( 0.000 3.572 7.445) 8.257 6.340 ( 0.000 -3.761 -6.869) 7.832 6.340 ( 0.000 -3.761 6.869) 7.832 7.005 ( 0.000 7.474 -4.928) 8.953 7.005 ( 0.000 7.474 4.928) 8.953 7.165 ( 0.000 1.805 -1.684) 2.469 7.165 ( 0.000 1.805 1.684) 2.469 7.388 ( 0.000 -6.125 -0.809) 6.178 7.388 ( 0.000 -6.125 0.809) 6.178 7.444 ( 0.000 -10.330 -4.472) 11.257 7.444 ( 0.000 -10.330 4.472) 11.257 7.686 ( 0.000 1.843 -4.289) 4.668 7.686 ( 0.000 1.843 4.289) 4.668 8.126 ( 0.000 -11.925 -4.666) 12.805 8.126 ( 0.000 -11.925 4.666) 12.805 8.519 ( 0.000 12.288 -4.180) 12.979 8.519 ( 0.000 12.288 4.180) 12.979 8.834 ( 0.000 4.241 -6.913) 8.110 8.834 ( 0.000 4.241 6.913) 8.110 9.550 ( 0.000 -2.107 -10.424) 10.635 9.550 ( 0.000 -2.107 10.424) 10.635 9.883 ( 0.000 -13.637 -2.210) 13.815 9.883 ( 0.000 -13.637 2.210) 13.815 9.986 ( 0.000 2.408 -5.128) 5.665 9.986 ( 0.000 2.408 5.128) 5.665 10.261 ( 0.000 -7.181 -1.841) 7.414 10.261 ( 0.000 -7.181 1.841) 7.414 12.032 ( 0.000 7.990 -2.946) 8.515 12.032 ( 0.000 7.990 2.946) 8.515 12.626 ( 0.000 -8.835 -10.141) 13.450 12.626 ( 0.000 -8.835 10.141) 13.450 13.001 ( 0.000 15.298 -11.495) 19.135 13.001 ( 0.000 15.298 11.495) 19.135 13.719 ( 0.000 -7.900 -12.991) 15.205 13.719 ( 0.000 -7.900 12.991) 15.205 15.138 ( 0.000 7.176 -8.689) 11.269 15.138 ( 0.000 7.176 8.689) 11.269 15.512 ( 0.000 -1.190 -13.386) 13.439 15.512 ( 0.000 -1.190 13.386) 13.439 16.060 ( 0.000 -1.356 -9.065) 9.166 16.060 ( 0.000 -1.356 9.065) 9.166 16.188 ( 0.000 -3.995 -2.268) 4.594 16.188 ( 0.000 -3.995 2.268) 4.594 23.775 ( -0.000 1.042 -3.329) 3.489 23.775 ( -0.000 1.042 3.329) 3.489 23.880 ( 0.000 -1.786 -1.633) 2.420 23.880 ( 0.000 -1.786 1.633) 2.420 24.209 ( 0.000 3.790 -11.519) 12.127 24.209 ( 0.000 3.790 11.519) 12.127 24.318 ( 0.000 -0.115 -6.843) 6.844 24.318 ( 0.000 -0.115 6.843) 6.844 26.282 ( 0.000 -0.017 -4.150) 4.150 26.282 ( 0.000 -0.017 4.150) 4.150 26.457 ( -0.000 -5.393 -2.801) 6.077 26.457 ( 0.000 -5.393 2.801) 6.077 27.064 ( 0.000 7.005 -5.472) 8.889 27.064 ( 0.000 7.005 5.472) 8.889 27.497 ( 0.000 -5.541 -12.540) 13.710 27.497 ( 0.000 -5.541 12.540) 13.710 ======================= Grid point 180 (56/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 5.574 -10.999) 12.330 1.787 ( 0.000 5.574 10.999) 12.330 1.856 ( 0.000 0.646 -2.723) 2.798 1.856 ( 0.000 0.646 2.723) 2.798 1.987 ( 0.000 10.413 -5.604) 11.825 1.987 ( 0.000 10.413 5.604) 11.825 2.121 ( 0.000 2.321 -4.051) 4.669 2.121 ( 0.000 2.321 4.051) 4.669 2.549 ( 0.000 -4.131 -5.579) 6.942 2.549 ( 0.000 -4.131 5.579) 6.942 2.590 ( 0.000 -6.917 -1.041) 6.994 2.590 ( 0.000 -6.917 1.041) 6.994 2.745 ( 0.000 5.054 -2.806) 5.780 2.745 ( 0.000 5.054 2.806) 5.780 2.873 ( 0.000 -6.509 -1.170) 6.613 2.873 ( 0.000 -6.509 1.170) 6.613 3.255 ( 0.000 2.364 -3.356) 4.105 3.255 ( 0.000 2.364 3.356) 4.105 3.264 ( 0.000 1.024 -5.224) 5.323 3.264 ( 0.000 1.024 5.224) 5.323 3.510 ( 0.000 -0.614 -2.941) 3.005 3.510 ( 0.000 -0.614 2.941) 3.005 3.514 ( 0.000 -1.008 -7.628) 7.695 3.514 ( 0.000 -1.008 7.628) 7.695 3.865 ( 0.000 4.771 -5.011) 6.919 3.865 ( 0.000 4.771 5.011) 6.919 3.949 ( 0.000 -3.743 -3.033) 4.817 3.949 ( 0.000 -3.743 3.033) 4.817 4.254 ( 0.000 8.168 -10.979) 13.684 4.254 ( 0.000 8.168 10.979) 13.684 4.389 ( 0.000 -3.883 -5.185) 6.477 4.389 ( 0.000 -3.883 5.185) 6.477 4.580 ( 0.000 5.011 -5.086) 7.140 4.580 ( 0.000 5.011 5.086) 7.140 4.716 ( 0.000 -8.739 -2.094) 8.987 4.716 ( 0.000 -8.739 2.094) 8.987 6.619 ( 0.000 5.949 -8.317) 10.226 6.619 ( 0.000 5.949 8.317) 10.226 6.694 ( 0.000 -0.300 -11.077) 11.081 6.694 ( 0.000 -0.300 11.077) 11.081 6.960 ( 0.000 3.205 -5.977) 6.782 6.960 ( 0.000 3.205 5.977) 6.782 7.023 ( 0.000 -2.686 -3.820) 4.670 7.023 ( 0.000 -2.686 3.820) 4.670 7.424 ( 0.000 2.135 -4.182) 4.695 7.424 ( 0.000 2.135 4.182) 4.695 7.551 ( 0.000 -11.169 -7.031) 13.197 7.551 ( 0.000 -11.169 7.031) 13.197 7.805 ( 0.000 2.125 -1.505) 2.604 7.805 ( 0.000 2.125 1.505) 2.604 7.858 ( 0.000 -3.543 -2.550) 4.366 7.858 ( 0.000 -3.543 2.550) 4.366 8.593 ( 0.000 8.200 -2.283) 8.512 8.593 ( 0.000 8.200 2.283) 8.512 8.696 ( 0.000 -2.543 -3.115) 4.022 8.696 ( 0.000 -2.543 3.115) 4.022 9.516 ( 0.000 7.644 -9.484) 12.181 9.516 ( 0.000 7.644 9.484) 12.181 9.738 ( 0.000 -14.283 -7.671) 16.213 9.738 ( 0.000 -14.283 7.671) 16.213 10.428 ( 0.000 1.462 -3.045) 3.378 10.428 ( 0.000 1.462 3.045) 3.378 10.463 ( 0.000 -2.214 -4.890) 5.368 10.463 ( 0.000 -2.214 4.890) 5.368 12.456 ( 0.000 5.587 -10.928) 12.273 12.456 ( 0.000 5.587 10.928) 12.273 12.563 ( 0.000 -4.872 -7.744) 9.149 12.563 ( 0.000 -4.872 7.744) 9.149 13.686 ( 0.000 12.595 -11.329) 16.940 13.686 ( 0.000 12.595 11.329) 16.940 13.918 ( 0.000 -10.822 -11.629) 15.886 13.918 ( 0.000 -10.822 11.629) 15.886 15.007 ( 0.000 3.277 -6.801) 7.549 15.007 ( 0.000 3.277 6.801) 7.549 15.084 ( 0.000 -4.725 -8.627) 9.837 15.084 ( 0.000 -4.725 8.627) 9.837 15.878 ( 0.000 4.868 -7.090) 8.600 15.878 ( 0.000 4.868 7.090) 8.600 15.974 ( 0.000 -4.597 -9.568) 10.615 15.974 ( 0.000 -4.597 9.568) 10.615 23.797 ( 0.000 1.023 -2.441) 2.647 23.797 ( 0.000 1.023 2.441) 2.647 23.822 ( 0.000 -1.357 -1.358) 1.920 23.822 ( 0.000 -1.357 1.358) 1.920 24.403 ( 0.000 2.299 -12.392) 12.603 24.403 ( 0.000 2.299 12.392) 12.603 24.449 ( 0.000 -2.096 -15.524) 15.665 24.449 ( 0.000 -2.096 15.524) 15.665 26.426 ( 0.000 -0.624 -3.050) 3.113 26.426 ( 0.000 -0.624 3.050) 3.113 26.437 ( 0.000 -1.560 -3.891) 4.192 26.437 ( 0.000 -1.560 3.891) 4.192 27.148 ( 0.000 4.513 -7.455) 8.714 27.148 ( 0.000 4.513 7.455) 8.714 27.218 ( 0.000 -2.852 -10.863) 11.231 27.218 ( 0.000 -2.852 10.863) 11.231 ======================= Grid point 182 (57/60) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.786 6.609 -8.843) 11.068 1.793 ( 0.786 6.609 8.843) 11.068 1.887 ( 2.443 -1.227 -1.945) 3.355 1.887 ( 2.443 -1.227 1.945) 3.355 2.015 ( 2.895 12.175 -3.871) 13.100 2.015 ( 2.895 12.175 3.871) 13.100 2.232 ( 9.000 -4.194 -4.589) 10.938 2.232 ( 9.000 -4.194 4.589) 10.938 2.563 ( 1.292 -0.151 -1.726) 2.162 2.563 ( 1.292 -0.151 1.726) 2.162 2.626 ( 2.819 0.281 -2.934) 4.079 2.626 ( 2.819 0.281 2.934) 4.079 2.784 ( 4.215 -0.257 -1.808) 4.593 2.784 ( 4.215 -0.257 1.808) 4.593 2.893 ( 1.957 -7.004 -2.019) 7.547 2.893 ( 1.957 -7.004 2.019) 7.547 3.286 ( 2.306 3.051 -1.500) 4.108 3.286 ( 2.306 3.051 1.500) 4.108 3.348 ( 5.509 -2.651 -2.235) 6.509 3.348 ( 5.509 -2.651 2.235) 6.509 3.504 ( 2.171 3.546 -2.776) 4.999 3.504 ( 2.171 3.546 2.776) 4.999 3.570 ( 5.293 -2.612 -3.971) 7.114 3.570 ( 5.293 -2.612 3.971) 7.114 3.892 ( 2.636 4.066 -3.357) 5.895 3.892 ( 2.636 4.066 3.357) 5.895 3.961 ( 1.280 -2.958 -2.006) 3.796 3.961 ( 1.280 -2.958 2.006) 3.796 4.286 ( 3.518 8.741 -8.870) 12.940 4.286 ( 3.518 8.741 8.870) 12.940 4.417 ( 3.284 -2.849 -3.464) 5.559 4.417 ( 3.284 -2.849 3.464) 5.559 4.635 ( 5.674 3.004 -4.373) 7.767 4.635 ( 5.674 3.004 4.373) 7.767 4.747 ( 3.356 -8.085 -2.125) 9.008 4.747 ( 3.356 -8.085 2.125) 9.008 6.547 ( -6.260 3.434 -6.735) 9.815 6.547 ( -6.260 3.434 6.735) 9.815 6.579 ( -9.034 1.036 -9.035) 12.819 6.579 ( -9.034 1.036 9.035) 12.819 7.027 ( 5.049 3.940 -2.567) 6.900 7.027 ( 5.049 3.940 2.567) 6.900 7.083 ( 4.454 -0.736 -0.466) 4.539 7.083 ( 4.454 -0.736 0.466) 4.539 7.393 ( -2.698 1.014 -3.450) 4.496 7.393 ( -2.698 1.014 3.450) 4.496 7.498 ( -4.357 -8.666 -4.851) 10.845 7.498 ( -4.357 -8.666 4.851) 10.845 7.834 ( 1.811 0.024 -1.175) 2.159 7.834 ( 1.811 0.024 1.175) 2.159 7.885 ( 2.141 -4.566 -2.741) 5.740 7.885 ( 2.141 -4.566 2.741) 5.740 8.630 ( 3.351 8.428 -3.112) 9.589 8.630 ( 3.351 8.428 3.112) 9.589 8.731 ( 3.272 -1.959 -3.560) 5.217 8.731 ( 3.272 -1.959 3.560) 5.217 9.514 ( -0.138 6.602 -9.379) 11.471 9.514 ( -0.138 6.602 9.379) 11.471 9.723 ( -1.457 -14.108 -7.545) 16.065 9.723 ( -1.457 -14.108 7.545) 16.065 10.376 ( -4.999 1.316 -1.736) 5.453 10.376 ( -4.999 1.316 1.736) 5.453 10.409 ( -5.192 -2.053 -3.379) 6.526 10.409 ( -5.192 -2.053 3.379) 6.526 12.412 ( -3.932 7.057 -9.149) 12.205 12.412 ( -3.932 7.057 9.149) 12.205 12.548 ( -1.685 -6.381 -7.332) 9.865 12.548 ( -1.685 -6.381 7.332) 9.865 13.596 ( -7.697 13.053 -11.492) 19.018 13.596 ( -7.697 13.053 11.492) 19.018 13.836 ( -7.288 -11.170 -11.701) 17.743 13.836 ( -7.288 -11.170 11.701) 17.743 15.103 ( 8.131 3.088 -5.899) 10.509 15.103 ( 8.131 3.088 5.899) 10.509 15.169 ( 7.052 -3.772 -7.157) 10.732 15.169 ( 7.052 -3.772 7.157) 10.732 15.899 ( 2.288 3.856 -6.350) 7.773 15.899 ( 2.288 3.856 6.350) 7.773 15.981 ( 0.736 -4.197 -9.088) 10.037 15.981 ( 0.736 -4.197 9.088) 10.037 23.799 ( 0.106 1.086 -2.489) 2.718 23.799 ( 0.106 1.086 2.489) 2.718 23.824 ( 0.234 -1.403 -1.496) 2.064 23.824 ( 0.234 -1.403 1.496) 2.064 24.388 ( -1.521 1.841 -11.151) 11.403 24.388 ( -1.521 1.841 11.151) 11.403 24.420 ( -2.667 -1.255 -13.860) 14.170 24.420 ( -2.667 -1.255 13.860) 14.170 26.391 ( -2.483 0.965 -2.946) 3.972 26.391 ( -2.483 0.965 2.946) 3.972 26.433 ( -1.026 -3.289 -3.279) 4.756 26.433 ( -1.026 -3.289 3.279) 4.756 27.168 ( 1.609 4.475 -6.557) 8.100 27.168 ( 1.609 4.475 6.557) 8.100 27.242 ( 2.374 -3.034 -9.091) 9.874 27.242 ( 2.374 -3.034 9.091) 9.874 ======================= Grid point 184 (58/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.288 8.540 -3.845) 9.370 1.806 ( 0.288 8.540 3.845) 9.370 1.936 ( 2.128 -4.300 -2.816) 5.563 1.936 ( 2.128 -4.300 2.816) 5.563 2.103 ( 5.901 11.511 -3.449) 13.388 2.103 ( 5.901 11.511 3.449) 13.388 2.362 ( 2.702 -12.559 -3.041) 13.201 2.362 ( 2.702 -12.559 3.041) 13.201 2.618 ( 3.993 8.749 -1.714) 9.769 2.618 ( 3.993 8.749 1.714) 9.769 2.690 ( 4.532 4.816 -2.046) 6.922 2.690 ( 4.532 4.816 2.046) 6.922 2.874 ( 3.434 -3.618 -1.626) 5.246 2.874 ( 3.434 -3.618 1.626) 5.246 2.951 ( 3.533 -7.172 -4.156) 9.011 2.951 ( 3.533 -7.172 4.156) 9.011 3.300 ( -0.837 2.154 -2.988) 3.777 3.300 ( -0.837 2.154 2.988) 3.777 3.364 ( -1.649 -3.798 -4.548) 6.151 3.364 ( -1.649 -3.798 4.548) 6.151 3.650 ( 8.054 3.788 -5.525) 10.476 3.650 ( 8.054 3.788 5.525) 10.476 3.700 ( 6.810 -1.249 -4.771) 8.408 3.700 ( 6.810 -1.249 4.771) 8.408 3.950 ( 2.708 3.014 -2.028) 4.531 3.950 ( 2.708 3.014 2.028) 4.531 4.012 ( 3.562 -3.103 -1.480) 4.950 4.012 ( 3.562 -3.103 1.480) 4.950 4.401 ( 7.686 8.966 -5.506) 13.030 4.401 ( 7.686 8.966 5.506) 13.030 4.522 ( 6.415 -2.149 -1.678) 6.970 4.522 ( 6.415 -2.149 1.678) 6.970 4.817 ( 12.807 0.658 -1.236) 12.883 4.817 ( 12.807 0.658 1.236) 12.883 4.886 ( 12.682 -5.399 -2.021) 13.931 4.886 ( 12.682 -5.399 2.021) 13.931 6.384 ( -8.898 3.480 -7.966) 12.439 6.384 ( -8.898 3.480 7.966) 12.439 6.424 ( -6.690 -0.815 -6.416) 9.305 6.424 ( -6.690 -0.815 6.416) 9.305 7.112 ( 2.892 5.423 -3.756) 7.202 7.112 ( 2.892 5.423 3.756) 7.202 7.161 ( 3.151 1.319 -1.882) 3.900 7.161 ( 3.151 1.319 1.882) 3.900 7.336 ( -2.716 -0.877 -2.216) 3.614 7.336 ( -2.716 -0.877 2.216) 3.614 7.411 ( -4.044 -6.616 -3.171) 8.377 7.411 ( -4.044 -6.616 3.171) 8.377 7.845 ( -1.054 -0.221 -1.750) 2.055 7.845 ( -1.054 -0.221 1.750) 2.055 7.917 ( 0.707 -6.611 -3.271) 7.410 7.917 ( 0.707 -6.611 3.271) 7.410 8.701 ( 3.290 9.402 -3.920) 10.705 8.701 ( 3.290 9.402 3.920) 10.705 8.805 ( 3.750 -0.979 -4.436) 5.890 8.805 ( 3.750 -0.979 4.436) 5.890 9.511 ( -0.180 3.680 -9.346) 10.046 9.511 ( -0.180 3.680 9.346) 10.046 9.682 ( -2.621 -13.280 -7.177) 15.321 9.682 ( -2.621 -13.280 7.177) 15.321 10.246 ( -7.608 1.515 -2.757) 8.233 10.246 ( -7.608 1.515 2.757) 8.233 10.285 ( -6.432 -2.332 -1.914) 7.104 10.285 ( -6.432 -2.332 1.914) 7.104 12.324 ( -4.468 9.090 -6.837) 12.220 12.324 ( -4.468 9.090 6.837) 12.220 12.501 ( -2.760 -8.504 -7.208) 11.485 12.501 ( -2.760 -8.504 7.208) 11.485 13.440 ( -7.197 13.226 -11.977) 19.240 13.440 ( -7.197 13.226 11.977) 19.240 13.682 ( -7.309 -11.094 -12.056) 17.940 13.682 ( -7.309 -11.094 12.056) 17.940 15.245 ( 4.750 3.942 -6.223) 8.765 15.245 ( 4.750 3.942 6.223) 8.765 15.312 ( 6.887 -2.633 -6.125) 9.586 15.312 ( 6.887 -2.633 6.125) 9.586 15.971 ( 4.665 0.698 -4.858) 6.771 15.971 ( 4.665 0.698 4.858) 6.771 16.005 ( 1.824 -2.601 -7.348) 8.005 16.005 ( 1.824 -2.601 7.348) 8.005 23.801 ( 0.088 1.305 -2.609) 2.919 23.801 ( 0.088 1.305 2.609) 2.919 23.830 ( 0.382 -1.610 -1.844) 2.478 23.830 ( 0.382 -1.610 1.844) 2.478 24.346 ( -2.728 1.455 -8.842) 9.367 24.346 ( -2.728 1.455 8.842) 9.367 24.362 ( -2.629 -0.272 -9.352) 9.719 24.362 ( -2.629 -0.272 9.352) 9.719 26.343 ( -2.203 1.717 -3.216) 4.260 26.343 ( -2.203 1.717 3.216) 4.260 26.402 ( -1.855 -4.240 -3.258) 5.660 26.402 ( -1.855 -4.240 3.258) 5.660 27.197 ( 1.140 5.734 -6.709) 8.899 27.197 ( 1.140 5.734 6.709) 8.899 27.301 ( 3.158 -4.618 -8.302) 10.011 27.301 ( 3.158 -4.618 8.302) 10.011 ======================= Grid point 186 (59/60) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -0.047 9.122 -0.552) 9.139 1.807 ( -0.047 9.122 0.552) 9.139 1.963 ( 0.682 -6.485 -1.651) 6.727 1.963 ( 0.682 -6.485 1.651) 6.727 2.225 ( 5.719 7.424 -2.989) 9.837 2.225 ( 5.719 7.424 2.989) 9.837 2.368 ( -1.129 -5.079 -2.030) 5.585 2.368 ( -1.129 -5.079 2.030) 5.585 2.696 ( 4.118 8.512 -6.431) 11.435 2.696 ( 4.118 8.512 6.431) 11.435 2.799 ( 5.312 -0.728 -1.872) 5.679 2.799 ( 5.312 -0.728 1.872) 5.679 2.906 ( -0.082 -0.492 -2.726) 2.771 2.906 ( -0.082 -0.492 2.726) 2.771 2.981 ( -1.175 -5.696 -3.378) 6.726 2.981 ( -1.175 -5.696 3.378) 6.726 3.285 ( -0.095 1.219 -2.854) 3.105 3.285 ( -0.095 1.219 2.854) 3.105 3.342 ( -0.379 -3.816 -5.350) 6.583 3.342 ( -0.379 -3.816 5.350) 6.583 3.748 ( 3.166 3.879 -6.371) 8.103 3.748 ( 3.166 3.879 6.371) 8.103 3.798 ( 2.210 -1.065 -4.792) 5.383 3.798 ( 2.210 -1.065 4.792) 5.383 4.001 ( 2.374 1.906 -0.619) 3.107 4.001 ( 2.374 1.906 0.619) 3.107 4.061 ( 1.130 -3.136 -1.476) 3.646 4.061 ( 1.130 -3.136 1.476) 3.646 4.540 ( 5.507 4.745 -5.765) 9.278 4.540 ( 5.507 4.745 5.765) 9.278 4.617 ( 2.664 -2.330 -3.782) 5.180 4.617 ( 2.664 -2.330 3.782) 5.180 5.129 ( 17.011 4.327 -3.401) 17.879 5.129 ( 17.011 4.327 3.401) 17.879 5.218 ( 16.866 -3.459 -0.724) 17.233 5.218 ( 16.866 -3.459 0.724) 17.233 6.237 ( -5.623 3.964 -7.014) 9.825 6.237 ( -5.623 3.964 7.014) 9.825 6.308 ( -4.751 -3.328 -6.342) 8.595 6.308 ( -4.751 -3.328 6.342) 8.595 7.137 ( 0.059 6.135 -4.212) 7.442 7.137 ( 0.059 6.135 4.212) 7.442 7.196 ( 0.220 0.783 -2.731) 2.850 7.196 ( 0.220 0.783 2.731) 2.850 7.297 ( -1.040 -2.065 -1.319) 2.662 7.297 ( -1.040 -2.065 1.319) 2.662 7.338 ( -3.388 -5.443 -2.202) 6.779 7.338 ( -3.388 -5.443 2.202) 6.779 7.796 ( -3.180 2.788 -2.250) 4.791 7.796 ( -3.180 2.788 2.250) 4.791 7.914 ( -0.582 -8.643 -3.401) 9.307 7.914 ( -0.582 -8.643 3.401) 9.307 8.750 ( 1.666 10.680 -3.710) 11.429 8.750 ( 1.666 10.680 3.710) 11.429 8.865 ( 2.114 -0.470 -5.025) 5.471 8.865 ( 2.114 -0.470 5.025) 5.471 9.505 ( -0.363 0.530 -9.573) 9.595 9.505 ( -0.363 0.530 9.573) 9.595 9.631 ( -2.225 -12.170 -6.645) 14.043 9.631 ( -2.225 -12.170 6.645) 14.043 10.109 ( -5.373 3.203 -4.163) 7.514 10.109 ( -5.373 3.203 4.163) 7.514 10.181 ( -3.745 -4.080 -3.060) 6.327 10.181 ( -3.745 -4.080 3.060) 6.327 12.250 ( -2.746 10.216 -5.365) 11.861 12.250 ( -2.746 10.216 5.365) 11.861 12.452 ( -1.883 -9.907 -7.288) 12.442 12.452 ( -1.883 -9.907 7.288) 12.442 13.328 ( -3.960 13.338 -12.035) 18.396 13.328 ( -3.960 13.338 12.035) 18.396 13.570 ( -3.864 -10.952 -12.347) 16.951 13.570 ( -3.864 -10.952 12.347) 16.951 15.293 ( 0.804 7.127 -11.934) 13.923 15.293 ( 0.804 7.127 11.934) 13.923 15.415 ( 3.246 -4.618 -13.135) 14.297 15.415 ( 3.246 -4.618 13.135) 14.297 16.037 ( 1.866 0.267 -6.503) 6.771 16.037 ( 1.866 0.267 6.503) 6.771 16.069 ( 3.789 -2.727 -3.988) 6.140 16.069 ( 3.789 -2.727 3.988) 6.140 23.802 ( 0.035 1.594 -2.787) 3.211 23.802 ( 0.035 1.594 2.787) 3.211 23.838 ( 0.292 -1.919 -2.191) 2.927 23.838 ( 0.292 -1.919 2.191) 2.927 24.294 ( -2.035 2.222 -10.750) 11.164 24.294 ( -2.035 2.222 10.750) 11.164 24.323 ( -1.433 -0.755 -9.307) 9.447 24.323 ( -1.433 -0.755 9.307) 9.447 26.308 ( -1.205 1.786 -3.485) 4.097 26.308 ( -1.205 1.786 3.485) 4.097 26.369 ( -1.235 -4.347 -3.251) 5.567 26.369 ( -1.235 -4.347 3.251) 5.567 27.213 ( 0.497 7.424 -6.323) 9.764 27.213 ( 0.497 7.424 6.323) 9.764 27.352 ( 1.874 -6.460 -8.264) 10.655 27.352 ( 1.874 -6.460 8.264) 10.655 ======================= Grid point 188 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 8.920 -0.532) 8.936 1.806 ( 0.000 8.920 0.532) 8.936 1.969 ( 0.000 -7.225 -0.813) 7.270 1.969 ( 0.000 -7.225 0.813) 7.270 2.299 ( -0.000 3.257 -3.575) 4.836 2.299 ( -0.000 3.257 3.575) 4.836 2.341 ( 0.000 0.964 -4.716) 4.814 2.341 ( 0.000 0.964 4.716) 4.814 2.758 ( -0.000 8.611 -8.766) 12.288 2.758 ( -0.000 8.611 8.766) 12.288 2.847 ( 0.000 -0.208 -3.250) 3.256 2.847 ( 0.000 -0.208 3.250) 3.256 2.916 ( 0.000 -2.392 -7.244) 7.628 2.916 ( 0.000 -2.392 7.244) 7.628 2.936 ( -0.000 -5.152 -3.479) 6.216 2.936 ( -0.000 -5.152 3.479) 6.216 3.288 ( 0.000 1.041 -4.342) 4.465 3.288 ( 0.000 1.041 4.342) 4.465 3.342 ( 0.000 -3.790 -6.433) 7.466 3.342 ( 0.000 -3.790 6.433) 7.466 3.794 ( -0.000 3.236 -8.403) 9.005 3.794 ( -0.000 3.236 8.403) 9.005 3.800 ( 0.000 0.398 -8.302) 8.311 3.800 ( 0.000 0.398 8.302) 8.311 4.031 ( 0.000 -0.241 -3.906) 3.914 4.031 ( 0.000 -0.241 3.906) 3.914 4.066 ( 0.000 -2.124 -2.217) 3.070 4.066 ( -0.000 -2.124 2.217) 3.070 4.602 ( -0.000 1.491 -5.847) 6.034 4.602 ( -0.000 1.491 5.847) 6.034 4.636 ( 0.000 -0.803 -5.604) 5.661 4.636 ( 0.000 -0.803 5.604) 5.661 5.335 ( 0.000 4.914 -5.336) 7.254 5.335 ( 0.000 4.914 5.336) 7.254 5.404 ( 0.000 -1.241 -0.340) 1.287 5.404 ( 0.000 -1.241 0.340) 1.287 6.178 ( 0.000 3.660 -6.640) 7.582 6.178 ( 0.000 3.660 6.640) 7.582 6.256 ( 0.000 -4.306 -6.521) 7.814 6.256 ( 0.000 -4.306 6.521) 7.814 7.138 ( -0.000 4.957 -4.809) 6.907 7.138 ( 0.000 4.957 4.809) 6.907 7.185 ( 0.000 -0.288 -3.216) 3.229 7.185 ( 0.000 -0.288 3.216) 3.229 7.292 ( -0.000 -2.863 -0.762) 2.963 7.292 ( -0.000 -2.863 0.762) 2.963 7.295 ( 0.000 -3.863 -2.206) 4.449 7.295 ( 0.000 -3.863 2.206) 4.449 7.758 ( 0.000 5.402 -2.257) 5.855 7.758 ( 0.000 5.402 2.257) 5.855 7.907 ( 0.000 -9.651 -3.421) 10.239 7.907 ( 0.000 -9.651 3.421) 10.239 8.767 ( 0.000 11.196 -3.495) 11.729 8.767 ( 0.000 11.196 3.495) 11.729 8.886 ( 0.000 -0.361 -5.258) 5.271 8.886 ( 0.000 -0.361 5.258) 5.271 9.501 ( 0.000 -0.738 -9.760) 9.788 9.501 ( 0.000 -0.738 9.760) 9.788 9.606 ( 0.000 -11.709 -6.241) 13.268 9.606 ( 0.000 -11.709 6.241) 13.268 10.055 ( 0.000 4.113 -4.224) 5.895 10.055 ( 0.000 4.113 4.224) 5.895 10.144 ( 0.000 -4.976 -2.978) 5.799 10.144 ( 0.000 -4.976 2.978) 5.799 12.222 ( 0.000 10.547 -4.887) 11.624 12.222 ( 0.000 10.547 4.887) 11.624 12.433 ( 0.000 -10.441 -7.362) 12.775 12.433 ( 0.000 -10.441 7.362) 12.775 13.288 ( 0.000 13.512 -11.908) 18.010 13.288 ( 0.000 13.512 11.908) 18.010 13.532 ( 0.000 -10.966 -12.406) 16.558 13.532 ( 0.000 -10.966 12.406) 16.558 15.298 ( 0.000 8.419 -12.593) 15.148 15.298 ( 0.000 8.419 12.593) 15.148 15.445 ( 0.000 -5.738 -14.352) 15.456 15.445 ( 0.000 -5.738 14.352) 15.456 16.057 ( 0.000 1.325 -6.159) 6.300 16.057 ( 0.000 1.325 6.159) 6.300 16.109 ( 0.000 -3.659 -3.972) 5.400 16.109 ( 0.000 -3.659 3.972) 5.400 23.802 ( 0.000 1.725 -2.886) 3.362 23.802 ( 0.000 1.725 2.886) 3.362 23.841 ( 0.000 -2.063 -2.331) 3.113 23.841 ( 0.000 -2.063 2.331) 3.113 24.273 ( 0.000 2.544 -10.548) 10.850 24.273 ( 0.000 2.544 10.548) 10.850 24.308 ( 0.000 -1.022 -8.738) 8.797 24.308 ( 0.000 -1.022 8.738) 8.797 26.296 ( 0.000 1.762 -3.569) 3.980 26.296 ( 0.000 1.762 3.569) 3.980 26.357 ( 0.000 -4.302 -3.225) 5.377 26.357 ( 0.000 -4.302 3.225) 5.377 27.217 ( 0.000 8.104 -5.976) 10.069 27.217 ( 0.000 8.104 5.976) 10.069 27.371 ( 0.000 -7.176 -8.146) 10.856 27.371 ( 0.000 -7.176 8.146) 10.856 =================== 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 3/21504 10.0 1400.199 1080.200 687.661 0.000 0.000 -0.000 3/21504 20.0 155.845 150.271 123.993 0.000 0.000 -0.000 3/21504 30.0 59.250 62.067 49.217 0.000 0.000 -0.000 3/21504 40.0 34.715 37.269 29.237 0.000 0.000 -0.000 3/21504 50.0 24.493 26.273 20.614 0.000 0.000 -0.000 3/21504 60.0 18.889 20.143 15.820 0.000 0.000 -0.000 3/21504 70.0 15.325 16.266 12.770 0.000 0.000 -0.000 3/21504 80.0 12.859 13.616 10.673 0.000 0.000 -0.000 3/21504 90.0 11.058 11.704 9.154 0.000 0.000 -0.000 3/21504 100.0 9.690 10.268 8.011 0.000 0.000 -0.000 3/21504 110.0 8.621 9.154 7.124 0.000 0.000 -0.000 3/21504 120.0 7.765 8.266 6.419 0.000 0.000 -0.000 3/21504 130.0 7.065 7.542 5.846 0.000 0.000 -0.000 3/21504 140.0 6.483 6.940 5.371 0.000 0.000 -0.000 3/21504 150.0 5.991 6.433 4.973 0.000 0.000 -0.000 3/21504 160.0 5.571 5.998 4.633 0.000 0.000 -0.000 3/21504 170.0 5.208 5.621 4.340 0.000 0.000 -0.000 3/21504 180.0 4.890 5.292 4.084 0.000 0.000 -0.000 3/21504 190.0 4.610 5.000 3.859 0.000 0.000 -0.000 3/21504 200.0 4.362 4.741 3.659 0.000 0.000 -0.000 3/21504 210.0 4.140 4.508 3.481 0.000 0.000 -0.000 3/21504 220.0 3.940 4.298 3.320 0.000 0.000 -0.000 3/21504 230.0 3.759 4.108 3.175 0.000 0.000 -0.000 3/21504 240.0 3.595 3.934 3.042 0.000 0.000 -0.000 3/21504 250.0 3.444 3.775 2.921 0.000 0.000 -0.000 3/21504 260.0 3.306 3.629 2.810 0.000 0.000 -0.000 3/21504 270.0 3.179 3.494 2.707 0.000 0.000 -0.000 3/21504 280.0 3.062 3.369 2.612 0.000 0.000 -0.000 3/21504 290.0 2.953 3.253 2.524 0.000 0.000 -0.000 3/21504 300.0 2.852 3.144 2.441 0.000 0.000 -0.000 3/21504 310.0 2.758 3.043 2.365 0.000 0.000 -0.000 3/21504 320.0 2.669 2.949 2.293 0.000 0.000 -0.000 3/21504 330.0 2.587 2.860 2.225 0.000 0.000 -0.000 3/21504 340.0 2.509 2.776 2.162 0.000 0.000 -0.000 3/21504 350.0 2.436 2.698 2.102 0.000 0.000 -0.000 3/21504 360.0 2.368 2.624 2.046 0.000 0.000 -0.000 3/21504 370.0 2.303 2.553 1.992 0.000 0.000 -0.000 3/21504 380.0 2.241 2.487 1.942 0.000 0.000 -0.000 3/21504 390.0 2.183 2.424 1.894 0.000 0.000 -0.000 3/21504 400.0 2.128 2.364 1.848 0.000 0.000 -0.000 3/21504 410.0 2.076 2.307 1.805 0.000 0.000 -0.000 3/21504 420.0 2.026 2.253 1.763 0.000 0.000 -0.000 3/21504 430.0 1.978 2.201 1.724 0.000 0.000 -0.000 3/21504 440.0 1.933 2.152 1.686 0.000 0.000 -0.000 3/21504 450.0 1.890 2.104 1.650 0.000 0.000 -0.000 3/21504 460.0 1.848 2.059 1.615 0.000 0.000 -0.000 3/21504 470.0 1.809 2.016 1.582 0.000 0.000 -0.000 3/21504 480.0 1.771 1.975 1.550 0.000 0.000 -0.000 3/21504 490.0 1.735 1.935 1.520 0.000 0.000 -0.000 3/21504 500.0 1.700 1.897 1.490 0.000 0.000 -0.000 3/21504 510.0 1.666 1.860 1.462 0.000 0.000 -0.000 3/21504 520.0 1.634 1.825 1.435 0.000 0.000 -0.000 3/21504 530.0 1.603 1.791 1.409 0.000 0.000 -0.000 3/21504 540.0 1.573 1.758 1.383 0.000 0.000 -0.000 3/21504 550.0 1.545 1.726 1.359 0.000 0.000 -0.000 3/21504 560.0 1.517 1.696 1.336 0.000 0.000 -0.000 3/21504 570.0 1.490 1.667 1.313 0.000 0.000 -0.000 3/21504 580.0 1.465 1.638 1.291 0.000 0.000 -0.000 3/21504 590.0 1.440 1.611 1.270 0.000 0.000 -0.000 3/21504 600.0 1.416 1.584 1.249 0.000 0.000 -0.000 3/21504 610.0 1.393 1.559 1.229 0.000 0.000 -0.000 3/21504 620.0 1.370 1.534 1.210 0.000 0.000 -0.000 3/21504 630.0 1.348 1.510 1.192 0.000 0.000 -0.000 3/21504 640.0 1.327 1.486 1.174 0.000 0.000 -0.000 3/21504 650.0 1.307 1.464 1.156 0.000 0.000 -0.000 3/21504 660.0 1.287 1.442 1.139 0.000 0.000 -0.000 3/21504 670.0 1.268 1.421 1.122 0.000 0.000 -0.000 3/21504 680.0 1.249 1.400 1.106 0.000 0.000 -0.000 3/21504 690.0 1.231 1.380 1.091 0.000 0.000 -0.000 3/21504 700.0 1.214 1.361 1.076 0.000 0.000 -0.000 3/21504 710.0 1.197 1.342 1.061 0.000 0.000 -0.000 3/21504 720.0 1.180 1.323 1.047 0.000 0.000 -0.000 3/21504 730.0 1.164 1.305 1.033 0.000 0.000 -0.000 3/21504 740.0 1.148 1.288 1.019 0.000 0.000 -0.000 3/21504 750.0 1.133 1.271 1.006 0.000 0.000 -0.000 3/21504 760.0 1.118 1.254 0.993 0.000 0.000 -0.000 3/21504 770.0 1.103 1.238 0.980 0.000 0.000 -0.000 3/21504 780.0 1.089 1.222 0.968 0.000 0.000 -0.000 3/21504 790.0 1.076 1.207 0.956 0.000 0.000 -0.000 3/21504 800.0 1.062 1.192 0.944 0.000 0.000 -0.000 3/21504 810.0 1.049 1.178 0.933 0.000 0.000 -0.000 3/21504 820.0 1.036 1.163 0.922 0.000 0.000 -0.000 3/21504 830.0 1.024 1.150 0.911 0.000 0.000 -0.000 3/21504 840.0 1.012 1.136 0.900 0.000 0.000 -0.000 3/21504 850.0 1.000 1.123 0.890 0.000 0.000 -0.000 3/21504 860.0 0.988 1.110 0.880 0.000 0.000 -0.000 3/21504 870.0 0.977 1.097 0.870 0.000 0.000 -0.000 3/21504 880.0 0.966 1.085 0.860 0.000 0.000 -0.000 3/21504 890.0 0.955 1.073 0.851 0.000 0.000 -0.000 3/21504 900.0 0.944 1.061 0.841 0.000 0.000 -0.000 3/21504 910.0 0.934 1.049 0.832 0.000 0.000 -0.000 3/21504 920.0 0.924 1.038 0.824 0.000 0.000 -0.000 3/21504 930.0 0.914 1.027 0.815 0.000 0.000 -0.000 3/21504 940.0 0.904 1.016 0.806 0.000 0.000 -0.000 3/21504 950.0 0.895 1.006 0.798 0.000 0.000 -0.000 3/21504 960.0 0.885 0.995 0.790 0.000 0.000 -0.000 3/21504 970.0 0.876 0.985 0.782 0.000 0.000 -0.000 3/21504 980.0 0.867 0.975 0.774 0.000 0.000 -0.000 3/21504 990.0 0.859 0.965 0.766 0.000 0.000 -0.000 3/21504 1000.0 0.850 0.956 0.759 0.000 0.000 -0.000 3/21504 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:53:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|