----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:37:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.177031930059675 -4.045324025000001 0.000000000000000 b 9.177031930059675 4.045324025000001 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): *1 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 2 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 *3 Pb 0.79805450506824 0.79805450506824 0.71823863539057 207.200 *4 Pb 0.89442947648310 0.36112523165872 0.54690548728353 207.200 *5 Pb 0.95102037819911 0.95102037819911 0.17539947742720 207.200 *6 Pb 0.55745803053487 0.55745803053487 0.75914861736782 207.200 7 Pb 0.63887476834128 0.10557052351690 0.45309451271647 207.200 *8 Pb 0.65417791522224 0.65417791522224 0.21628753018269 207.200 9 Pb 0.34582208477776 0.34582208477776 0.78371246981731 207.200 10 Pb 0.44254196946513 0.44254196946513 0.24085138263218 207.200 11 Pb 0.20194549493176 0.20194549493176 0.28176136460943 207.200 12 Pb 0.36112523165872 0.89442947648310 0.54690548728353 207.200 13 Pb 0.10557052351690 0.63887476834128 0.45309451271647 207.200 14 Pb 0.04897962180089 0.04897962180089 0.82460052257280 207.200 *15 Cl 0.72511494163833 0.27488505836167 0.00000000000000 35.453 16 Cl 0.27488505836167 0.72511494163833 0.00000000000000 35.453 *17 O 0.52330253188671 0.96079504542967 0.26825391645034 15.999 *18 O 0.66869528460000 0.66869528460000 0.99296707082528 15.999 *19 O 0.34956333770315 0.34956333770315 0.37973297951448 15.999 *20 O 0.32547346250476 0.88386249811486 0.75452444839417 15.999 21 O 0.88386249811486 0.32547346250476 0.75452444839417 15.999 22 O 0.67452653749524 0.11613750188514 0.24547555160583 15.999 23 O 0.33130471540000 0.33130471540000 0.00703292917472 15.999 24 O 0.11613750188514 0.67452653749524 0.24547555160583 15.999 25 O 0.96079504542967 0.52330253188671 0.26825391645034 15.999 *26 O 0.17845998981430 0.17845998981430 0.03135297277757 15.999 27 O 0.03920495457033 0.47669746811329 0.73174608354966 15.999 28 O 0.65043666229685 0.65043666229685 0.62026702048552 15.999 29 O 0.82154001018570 0.82154001018570 0.96864702722243 15.999 30 O 0.47669746811329 0.03920495457033 0.73174608354966 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 18.354063860119350 0.000000000000000 0.000000000000000 b 0.000000000000000 8.090648050000002 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): *1 La 0.75000000000000 0.75000000000000 0.00000000000000 138.905 > 1 2 La 0.75000000000000 0.25000000000000 0.00000000000000 138.905 > 2 3 La 0.25000000000000 0.25000000000000 0.00000000000000 138.905 > 1 4 La 0.25000000000000 0.75000000000000 0.00000000000000 138.905 > 2 *5 Pb 0.79805450506824 0.00000000000000 0.71823863539057 207.200 > 3 *6 Pb 0.62777735407091 0.73334787758781 0.54690548728353 207.200 > 4 *7 Pb 0.95102037819911 0.00000000000000 0.17539947742720 207.200 > 5 *8 Pb 0.55745803053487 0.00000000000000 0.75914861736782 207.200 > 6 9 Pb 0.87222264592909 0.23334787758781 0.45309451271647 207.200 > 7 *10 Pb 0.65417791522224 0.00000000000000 0.21628753018269 207.200 > 8 11 Pb 0.84582208477776 0.50000000000000 0.78371246981731 207.200 > 9 12 Pb 0.94254196946513 0.50000000000000 0.24085138263218 207.200 > 10 13 Pb 0.70194549493176 0.50000000000000 0.28176136460943 207.200 > 11 14 Pb 0.62777735407091 0.26665212241219 0.54690548728353 207.200 > 12 15 Pb 0.87222264592909 0.76665212241219 0.45309451271647 207.200 > 13 16 Pb 0.54897962180089 0.50000000000000 0.82460052257280 207.200 > 14 17 Pb 0.29805450506824 0.50000000000000 0.71823863539057 207.200 > 3 18 Pb 0.12777735407091 0.23334787758781 0.54690548728353 207.200 > 4 19 Pb 0.45102037819911 0.50000000000000 0.17539947742720 207.200 > 5 20 Pb 0.05745803053487 0.50000000000000 0.75914861736782 207.200 > 6 21 Pb 0.37222264592909 0.73334787758781 0.45309451271647 207.200 > 7 22 Pb 0.15417791522224 0.50000000000000 0.21628753018269 207.200 > 8 23 Pb 0.34582208477776 0.00000000000000 0.78371246981731 207.200 > 9 24 Pb 0.44254196946513 0.00000000000000 0.24085138263218 207.200 > 10 25 Pb 0.20194549493176 0.00000000000000 0.28176136460943 207.200 > 11 26 Pb 0.12777735407091 0.76665212241219 0.54690548728353 207.200 > 12 27 Pb 0.37222264592909 0.26665212241219 0.45309451271647 207.200 > 13 28 Pb 0.04897962180089 0.00000000000000 0.82460052257280 207.200 > 14 *29 Cl 0.00000000000000 0.27488505836167 0.00000000000000 35.453 > 15 30 Cl 0.00000000000000 0.72511494163833 0.00000000000000 35.453 > 16 31 Cl 0.50000000000000 0.77488505836167 0.00000000000000 35.453 > 15 32 Cl 0.50000000000000 0.22511494163833 0.00000000000000 35.453 > 16 *33 O 0.74204878865819 0.21874625677148 0.26825391645034 15.999 > 17 *34 O 0.66869528460000 0.00000000000000 0.99296707082528 15.999 > 18 *35 O 0.84956333770315 0.50000000000000 0.37973297951448 15.999 > 19 *36 O 0.60466798030981 0.27919451780505 0.75452444839417 15.999 > 20 37 O 0.60466798030981 0.72080548219495 0.75452444839417 15.999 > 21 38 O 0.89533201969019 0.22080548219495 0.24547555160583 15.999 > 22 39 O 0.83130471540000 0.50000000000000 0.00703292917472 15.999 > 23 40 O 0.89533201969019 0.77919451780505 0.24547555160583 15.999 > 24 41 O 0.74204878865819 0.78125374322852 0.26825391645034 15.999 > 25 *42 O 0.67845998981430 0.50000000000000 0.03135297277757 15.999 > 26 43 O 0.75795121134181 0.71874625677148 0.73174608354966 15.999 > 27 44 O 0.65043666229685 0.00000000000000 0.62026702048552 15.999 > 28 45 O 0.82154001018570 0.00000000000000 0.96864702722243 15.999 > 29 46 O 0.75795121134181 0.28125374322852 0.73174608354966 15.999 > 30 47 O 0.24204878865819 0.71874625677148 0.26825391645034 15.999 > 17 48 O 0.16869528460000 0.50000000000000 0.99296707082528 15.999 > 18 49 O 0.34956333770315 0.00000000000000 0.37973297951448 15.999 > 19 50 O 0.10466798030981 0.77919451780505 0.75452444839417 15.999 > 20 51 O 0.10466798030981 0.22080548219495 0.75452444839417 15.999 > 21 52 O 0.39533201969019 0.72080548219495 0.24547555160583 15.999 > 22 53 O 0.33130471540000 0.00000000000000 0.00703292917472 15.999 > 23 54 O 0.39533201969019 0.27919451780505 0.24547555160583 15.999 > 24 55 O 0.24204878865819 0.28125374322852 0.26825391645034 15.999 > 25 56 O 0.17845998981430 0.00000000000000 0.03135297277757 15.999 > 26 57 O 0.25795121134181 0.21874625677148 0.73174608354966 15.999 > 27 58 O 0.15043666229685 0.50000000000000 0.62026702048552 15.999 > 28 59 O 0.32154001018570 0.50000000000000 0.96864702722243 15.999 > 29 60 O 0.25795121134181 0.78125374322852 0.73174608354966 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.354063860119350 0.000000000000000 0.000000000000000 b 0.000000000000000 16.181296100000004 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): *1 La 0.75000000000000 0.37500000000000 0.00000000000000 138.905 > 1 2 La 0.75000000000000 0.87500000000000 0.00000000000000 138.905 > 1 3 La 0.75000000000000 0.12500000000000 0.00000000000000 138.905 > 2 4 La 0.75000000000000 0.62500000000000 0.00000000000000 138.905 > 2 5 La 0.25000000000000 0.12500000000000 0.00000000000000 138.905 > 1 6 La 0.25000000000000 0.62500000000000 0.00000000000000 138.905 > 1 7 La 0.25000000000000 0.37500000000000 0.00000000000000 138.905 > 2 8 La 0.25000000000000 0.87500000000000 0.00000000000000 138.905 > 2 *9 Pb 0.79805450506824 0.00000000000000 0.71823863539057 207.200 > 3 10 Pb 0.79805450506824 0.50000000000000 0.71823863539057 207.200 > 3 *11 Pb 0.62777735407091 0.36667393879391 0.54690548728353 207.200 > 4 12 Pb 0.62777735407091 0.86667393879391 0.54690548728353 207.200 > 4 *13 Pb 0.95102037819911 0.00000000000000 0.17539947742720 207.200 > 5 14 Pb 0.95102037819911 0.50000000000000 0.17539947742720 207.200 > 5 *15 Pb 0.55745803053487 0.00000000000000 0.75914861736782 207.200 > 6 16 Pb 0.55745803053487 0.50000000000000 0.75914861736782 207.200 > 6 17 Pb 0.87222264592909 0.11667393879391 0.45309451271647 207.200 > 7 18 Pb 0.87222264592909 0.61667393879391 0.45309451271647 207.200 > 7 *19 Pb 0.65417791522224 0.00000000000000 0.21628753018269 207.200 > 8 20 Pb 0.65417791522224 0.50000000000000 0.21628753018269 207.200 > 8 21 Pb 0.84582208477776 0.25000000000000 0.78371246981731 207.200 > 9 22 Pb 0.84582208477776 0.75000000000000 0.78371246981731 207.200 > 9 23 Pb 0.94254196946513 0.25000000000000 0.24085138263218 207.200 > 10 24 Pb 0.94254196946513 0.75000000000000 0.24085138263218 207.200 > 10 25 Pb 0.70194549493176 0.25000000000000 0.28176136460943 207.200 > 11 26 Pb 0.70194549493176 0.75000000000000 0.28176136460943 207.200 > 11 27 Pb 0.62777735407091 0.13332606120609 0.54690548728353 207.200 > 12 28 Pb 0.62777735407091 0.63332606120609 0.54690548728353 207.200 > 12 29 Pb 0.87222264592909 0.38332606120609 0.45309451271647 207.200 > 13 30 Pb 0.87222264592909 0.88332606120609 0.45309451271647 207.200 > 13 31 Pb 0.54897962180089 0.25000000000000 0.82460052257280 207.200 > 14 32 Pb 0.54897962180089 0.75000000000000 0.82460052257280 207.200 > 14 33 Pb 0.29805450506824 0.25000000000000 0.71823863539057 207.200 > 3 34 Pb 0.29805450506824 0.75000000000000 0.71823863539057 207.200 > 3 35 Pb 0.12777735407091 0.11667393879391 0.54690548728353 207.200 > 4 36 Pb 0.12777735407091 0.61667393879391 0.54690548728353 207.200 > 4 37 Pb 0.45102037819911 0.25000000000000 0.17539947742720 207.200 > 5 38 Pb 0.45102037819911 0.75000000000000 0.17539947742720 207.200 > 5 39 Pb 0.05745803053487 0.25000000000000 0.75914861736782 207.200 > 6 40 Pb 0.05745803053487 0.75000000000000 0.75914861736782 207.200 > 6 41 Pb 0.37222264592909 0.36667393879391 0.45309451271647 207.200 > 7 42 Pb 0.37222264592909 0.86667393879391 0.45309451271647 207.200 > 7 43 Pb 0.15417791522224 0.25000000000000 0.21628753018269 207.200 > 8 44 Pb 0.15417791522224 0.75000000000000 0.21628753018269 207.200 > 8 45 Pb 0.34582208477776 0.00000000000000 0.78371246981731 207.200 > 9 46 Pb 0.34582208477776 0.50000000000000 0.78371246981731 207.200 > 9 47 Pb 0.44254196946513 0.00000000000000 0.24085138263218 207.200 > 10 48 Pb 0.44254196946513 0.50000000000000 0.24085138263218 207.200 > 10 49 Pb 0.20194549493176 0.00000000000000 0.28176136460943 207.200 > 11 50 Pb 0.20194549493176 0.50000000000000 0.28176136460943 207.200 > 11 51 Pb 0.12777735407091 0.38332606120609 0.54690548728353 207.200 > 12 52 Pb 0.12777735407091 0.88332606120609 0.54690548728353 207.200 > 12 53 Pb 0.37222264592909 0.13332606120609 0.45309451271647 207.200 > 13 54 Pb 0.37222264592909 0.63332606120609 0.45309451271647 207.200 > 13 55 Pb 0.04897962180089 0.00000000000000 0.82460052257280 207.200 > 14 56 Pb 0.04897962180089 0.50000000000000 0.82460052257280 207.200 > 14 *57 Cl 0.00000000000000 0.13744252918084 0.00000000000000 35.453 > 15 58 Cl 0.00000000000000 0.63744252918084 0.00000000000000 35.453 > 15 59 Cl 0.00000000000000 0.36255747081916 0.00000000000000 35.453 > 16 60 Cl 0.00000000000000 0.86255747081916 0.00000000000000 35.453 > 16 61 Cl 0.50000000000000 0.38744252918084 0.00000000000000 35.453 > 15 62 Cl 0.50000000000000 0.88744252918084 0.00000000000000 35.453 > 15 63 Cl 0.50000000000000 0.11255747081916 0.00000000000000 35.453 > 16 64 Cl 0.50000000000000 0.61255747081916 0.00000000000000 35.453 > 16 *65 O 0.74204878865819 0.10937312838574 0.26825391645034 15.999 > 17 66 O 0.74204878865819 0.60937312838574 0.26825391645034 15.999 > 17 *67 O 0.66869528460000 0.00000000000000 0.99296707082528 15.999 > 18 68 O 0.66869528460000 0.50000000000000 0.99296707082528 15.999 > 18 *69 O 0.84956333770315 0.25000000000000 0.37973297951448 15.999 > 19 70 O 0.84956333770315 0.75000000000000 0.37973297951448 15.999 > 19 *71 O 0.60466798030981 0.13959725890253 0.75452444839417 15.999 > 20 72 O 0.60466798030981 0.63959725890253 0.75452444839417 15.999 > 20 73 O 0.60466798030981 0.36040274109747 0.75452444839417 15.999 > 21 74 O 0.60466798030981 0.86040274109747 0.75452444839417 15.999 > 21 75 O 0.89533201969019 0.11040274109747 0.24547555160583 15.999 > 22 76 O 0.89533201969019 0.61040274109747 0.24547555160583 15.999 > 22 77 O 0.83130471540000 0.25000000000000 0.00703292917472 15.999 > 23 78 O 0.83130471540000 0.75000000000000 0.00703292917472 15.999 > 23 79 O 0.89533201969019 0.38959725890253 0.24547555160583 15.999 > 24 80 O 0.89533201969019 0.88959725890253 0.24547555160583 15.999 > 24 81 O 0.74204878865819 0.39062687161426 0.26825391645034 15.999 > 25 82 O 0.74204878865819 0.89062687161426 0.26825391645034 15.999 > 25 *83 O 0.67845998981430 0.25000000000000 0.03135297277757 15.999 > 26 84 O 0.67845998981430 0.75000000000000 0.03135297277757 15.999 > 26 85 O 0.75795121134181 0.35937312838574 0.73174608354966 15.999 > 27 86 O 0.75795121134181 0.85937312838574 0.73174608354966 15.999 > 27 87 O 0.65043666229685 0.00000000000000 0.62026702048552 15.999 > 28 88 O 0.65043666229685 0.50000000000000 0.62026702048552 15.999 > 28 89 O 0.82154001018570 0.00000000000000 0.96864702722243 15.999 > 29 90 O 0.82154001018570 0.50000000000000 0.96864702722243 15.999 > 29 91 O 0.75795121134181 0.14062687161426 0.73174608354966 15.999 > 30 92 O 0.75795121134181 0.64062687161426 0.73174608354966 15.999 > 30 93 O 0.24204878865819 0.35937312838574 0.26825391645034 15.999 > 17 94 O 0.24204878865819 0.85937312838574 0.26825391645034 15.999 > 17 95 O 0.16869528460000 0.25000000000000 0.99296707082528 15.999 > 18 96 O 0.16869528460000 0.75000000000000 0.99296707082528 15.999 > 18 97 O 0.34956333770315 0.00000000000000 0.37973297951448 15.999 > 19 98 O 0.34956333770315 0.50000000000000 0.37973297951448 15.999 > 19 99 O 0.10466798030981 0.38959725890253 0.75452444839417 15.999 > 20 100 O 0.10466798030981 0.88959725890253 0.75452444839417 15.999 > 20 101 O 0.10466798030981 0.11040274109747 0.75452444839417 15.999 > 21 102 O 0.10466798030981 0.61040274109747 0.75452444839417 15.999 > 21 103 O 0.39533201969019 0.36040274109747 0.24547555160583 15.999 > 22 104 O 0.39533201969019 0.86040274109747 0.24547555160583 15.999 > 22 105 O 0.33130471540000 0.00000000000000 0.00703292917472 15.999 > 23 106 O 0.33130471540000 0.50000000000000 0.00703292917472 15.999 > 23 107 O 0.39533201969019 0.13959725890253 0.24547555160583 15.999 > 24 108 O 0.39533201969019 0.63959725890253 0.24547555160583 15.999 > 24 109 O 0.24204878865819 0.14062687161426 0.26825391645034 15.999 > 25 110 O 0.24204878865819 0.64062687161426 0.26825391645034 15.999 > 25 111 O 0.17845998981430 0.00000000000000 0.03135297277757 15.999 > 26 112 O 0.17845998981430 0.50000000000000 0.03135297277757 15.999 > 26 113 O 0.25795121134181 0.10937312838574 0.73174608354966 15.999 > 27 114 O 0.25795121134181 0.60937312838574 0.73174608354966 15.999 > 27 115 O 0.15043666229685 0.25000000000000 0.62026702048552 15.999 > 28 116 O 0.15043666229685 0.75000000000000 0.62026702048552 15.999 > 28 117 O 0.32154001018570 0.25000000000000 0.96864702722243 15.999 > 29 118 O 0.32154001018570 0.75000000000000 0.96864702722243 15.999 > 29 119 O 0.25795121134181 0.39062687161426 0.73174608354966 15.999 > 30 120 O 0.25795121134181 0.89062687161426 0.73174608354966 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7980617 0.0000000 -0.0566077 0.0000000 6.2855613 0.0000000 -0.0566160 0.0000000 5.7578443 -------------------------- Born effective charges -------------------------- 1 La 4.1024537 -0.0966291 0.0131706 -0.0432977 4.1742571 -0.2510135 -0.0104711 -0.1238660 4.1607979 2 La 4.1024537 0.0966291 0.0131706 0.0432977 4.1742571 0.2510135 -0.0104711 0.1238660 4.1607979 3 Pb 2.3211744 0.0000000 0.0846499 0.0000000 3.3597005 0.0000000 -0.3261466 0.0000000 2.5529520 4 Pb 2.3201033 -0.0068140 -0.0915539 -0.0285498 2.3072618 0.3797905 -0.0068705 0.2466969 2.8068636 5 Pb 2.9997512 0.0000000 -0.0365725 0.0000000 3.9836553 0.0000000 0.2692539 0.0000000 2.3811622 6 Pb 2.7597284 0.0000000 -0.2257458 0.0000000 3.4492475 0.0000000 0.2063523 0.0000000 2.6456330 7 Pb 2.3201033 0.0068140 -0.0915539 0.0285498 2.3072618 -0.3797905 -0.0068705 -0.2466969 2.8068636 8 Pb 2.9283481 0.0000000 0.2558829 0.0000000 3.4551234 0.0000000 -0.0859098 0.0000000 2.6402556 9 Pb 2.9283481 0.0000000 0.2558829 0.0000000 3.4551234 0.0000000 -0.0859098 0.0000000 2.6402556 10 Pb 2.7597284 0.0000000 -0.2257458 0.0000000 3.4492475 0.0000000 0.2063523 0.0000000 2.6456330 11 Pb 2.3211744 0.0000000 0.0846499 0.0000000 3.3597005 0.0000000 -0.3261466 0.0000000 2.5529520 12 Pb 2.3201033 0.0068140 -0.0915539 0.0285498 2.3072618 -0.3797905 -0.0068705 -0.2466969 2.8068636 13 Pb 2.3201033 -0.0068140 -0.0915539 -0.0285498 2.3072618 0.3797905 -0.0068705 0.2466969 2.8068636 14 Pb 2.9997512 0.0000000 -0.0365725 0.0000000 3.9836553 0.0000000 0.2692539 0.0000000 2.3811622 15 Cl -2.0080093 0.0000000 0.1178499 0.0000000 -2.2442318 0.0000000 0.0949876 0.0000000 -1.7778275 16 Cl -2.0080093 0.0000000 0.1178499 0.0000000 -2.2442318 0.0000000 0.0949876 0.0000000 -1.7778275 17 O -2.5697578 -0.5361053 -0.7224254 -0.6448364 -3.0780539 -0.4556125 -0.4907295 -0.3478467 -2.2562296 18 O -2.3464630 0.0000000 -0.0220137 0.0000000 -2.1899667 0.0000000 0.0479374 0.0000000 -3.5013558 19 O -2.9616386 0.0000000 0.0020993 0.0000000 -4.2788436 0.0000000 0.0376436 0.0000000 -1.6250890 20 O -2.5521722 0.4069662 0.8021758 0.4892924 -3.0102857 -0.4640164 0.5073406 -0.3280775 -2.4692470 21 O -2.5521722 -0.4069662 0.8021758 -0.4892924 -3.0102857 0.4640164 0.5073406 0.3280775 -2.4692470 22 O -2.5521722 0.4069662 0.8021758 0.4892924 -3.0102857 -0.4640164 0.5073406 -0.3280775 -2.4692470 23 O -2.3464630 0.0000000 -0.0220137 0.0000000 -2.1899667 0.0000000 0.0479374 0.0000000 -3.5013558 24 O -2.5521722 -0.4069662 0.8021758 -0.4892924 -3.0102857 0.4640164 0.5073406 0.3280775 -2.4692470 25 O -2.5697578 0.5361053 -0.7224254 0.6448364 -3.0780539 0.4556125 -0.4907295 0.3478467 -2.2562296 26 O -2.1916917 0.0000000 -0.1657135 0.0000000 -2.1467861 0.0000000 -0.2531285 0.0000000 -3.6393020 27 O -2.5697578 0.5361053 -0.7224254 0.6448364 -3.0780539 0.4556125 -0.4907295 0.3478467 -2.2562296 28 O -2.9616386 0.0000000 0.0020993 0.0000000 -4.2788436 0.0000000 0.0376436 0.0000000 -1.6250890 29 O -2.1916917 0.0000000 -0.1657135 0.0000000 -2.1467861 0.0000000 -0.2531285 0.0000000 -3.6393020 30 O -2.5697578 -0.5361053 -0.7224254 -0.6448364 -3.0780539 -0.4556125 -0.4907295 -0.3478467 -2.2562296 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 19422/19422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4245 Number of blocks in projector: 4245 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: 1004 Use submatrix version of eigh solver. (1) Block: 500 / 1004 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1004 / 1004 (2) Block: 250 / 504 (2) 231 eigenvectors found. (2) Block: 504 / 504 (2) 241 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 800 / 800 (1) 294 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 800 / 800 (1) 294 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 547 Use submatrix version of eigh solver. (1) Block: 547 / 547 (2) Block: 250 / 547 (2) 238 eigenvectors found. (2) Block: 547 / 547 (2) 285 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 547 Use submatrix version of eigh solver. (1) Block: 547 / 547 (2) Block: 250 / 547 (2) 238 eigenvectors found. (2) Block: 547 / 547 (2) 285 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 547 Use submatrix version of eigh solver. (1) Block: 547 / 547 (2) Block: 250 / 547 (2) 238 eigenvectors found. (2) Block: 547 / 547 (2) 285 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4245, 4170), data: False |-- (547, 535), data: False |-- (547, 535), data: False |-- (547, 12), data: (547, 24) @ (24, 12) |-- (297, 285), data: True |-- (250, 238), data: True |-- (547, 535), data: False |-- (547, 535), data: False |-- (547, 12), data: (547, 24) @ (24, 12) |-- (297, 285), data: True |-- (250, 238), data: True |-- (547, 535), data: False |-- (547, 535), data: False |-- (547, 12), data: (547, 24) @ (24, 12) |-- (297, 285), data: True |-- (250, 238), data: True |-- (800, 792), data: False |-- (800, 6), data: (800, 14) @ (14, 6) |-- (300, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (800, 792), data: False |-- (800, 6), data: (800, 14) @ (14, 6) |-- (300, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1004, 981), data: False |-- (1004, 19), data: (1004, 42) @ (42, 19) |-- (504, 485), data: False |-- (504, 13), data: (504, 32) @ (32, 13) |-- (254, 241), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.226 Solver_block: 200 / 960 - Time: 1.441 Solver_block: 300 / 960 - Time: 3.104 Solver_block: 400 / 960 - Time: 1.142 Solver_block: 500 / 960 - Time: 0.937 Solver_block: 600 / 960 - Time: 1.045 Solver_block: 700 / 960 - Time: 1.954 Solver_block: 800 / 960 - Time: 1.782 Solver_block: 900 / 960 - Time: 1.078 Solver_block: 960 / 960 - Time: 0.704 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.903 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 19422/19422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4245 Number of blocks in projector: 4245 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: 1004 Use submatrix version of eigh solver. (1) Block: 500 / 1004 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1004 / 1004 (2) Block: 250 / 504 (2) 231 eigenvectors found. (2) Block: 504 / 504 (2) 241 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 800 / 800 (1) 294 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 800 / 800 (1) 294 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 547 Use submatrix version of eigh solver. (1) Block: 547 / 547 (2) Block: 250 / 547 (2) 238 eigenvectors found. (2) Block: 547 / 547 (2) 285 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 547 Use submatrix version of eigh solver. (1) Block: 547 / 547 (2) Block: 250 / 547 (2) 238 eigenvectors found. (2) Block: 547 / 547 (2) 285 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 547 Use submatrix version of eigh solver. (1) Block: 547 / 547 (2) Block: 250 / 547 (2) 238 eigenvectors found. (2) Block: 547 / 547 (2) 285 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 535 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4245, 4170), data: False |-- (547, 535), data: False |-- (547, 535), data: False |-- (547, 12), data: (547, 24) @ (24, 12) |-- (297, 285), data: True |-- (250, 238), data: True |-- (547, 535), data: False |-- (547, 535), data: False |-- (547, 12), data: (547, 24) @ (24, 12) |-- (297, 285), data: True |-- (250, 238), data: True |-- (547, 535), data: False |-- (547, 535), data: False |-- (547, 12), data: (547, 24) @ (24, 12) |-- (297, 285), data: True |-- (250, 238), data: True |-- (800, 792), data: False |-- (800, 6), data: (800, 14) @ (14, 6) |-- (300, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (800, 792), data: False |-- (800, 6), data: (800, 14) @ (14, 6) |-- (300, 294), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1004, 981), data: False |-- (1004, 19), data: (1004, 42) @ (42, 19) |-- (504, 485), data: False |-- (504, 13), data: (504, 32) @ (32, 13) |-- (254, 241), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:38:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:38:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.177031930059675 -4.045324025000001 0.000000000000000 b 9.177031930059675 4.045324025000001 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): 1 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 2 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 3 Pb 0.79805450506824 0.79805450506824 0.71823863539057 207.200 4 Pb 0.89442947648310 0.36112523165872 0.54690548728353 207.200 5 Pb 0.95102037819911 0.95102037819911 0.17539947742720 207.200 6 Pb 0.55745803053487 0.55745803053487 0.75914861736782 207.200 7 Pb 0.63887476834128 0.10557052351690 0.45309451271647 207.200 8 Pb 0.65417791522224 0.65417791522224 0.21628753018269 207.200 9 Pb 0.34582208477776 0.34582208477776 0.78371246981731 207.200 10 Pb 0.44254196946513 0.44254196946513 0.24085138263218 207.200 11 Pb 0.20194549493176 0.20194549493176 0.28176136460943 207.200 12 Pb 0.36112523165872 0.89442947648310 0.54690548728353 207.200 13 Pb 0.10557052351690 0.63887476834128 0.45309451271647 207.200 14 Pb 0.04897962180089 0.04897962180089 0.82460052257280 207.200 15 Cl 0.72511494163833 0.27488505836167 0.00000000000000 35.453 16 Cl 0.27488505836167 0.72511494163833 0.00000000000000 35.453 17 O 0.52330253188671 0.96079504542967 0.26825391645034 15.999 18 O 0.66869528460000 0.66869528460000 0.99296707082528 15.999 19 O 0.34956333770315 0.34956333770315 0.37973297951448 15.999 20 O 0.32547346250476 0.88386249811486 0.75452444839417 15.999 21 O 0.88386249811486 0.32547346250476 0.75452444839417 15.999 22 O 0.67452653749524 0.11613750188514 0.24547555160583 15.999 23 O 0.33130471540000 0.33130471540000 0.00703292917472 15.999 24 O 0.11613750188514 0.67452653749524 0.24547555160583 15.999 25 O 0.96079504542967 0.52330253188671 0.26825391645034 15.999 26 O 0.17845998981430 0.17845998981430 0.03135297277757 15.999 27 O 0.03920495457033 0.47669746811329 0.73174608354966 15.999 28 O 0.65043666229685 0.65043666229685 0.62026702048552 15.999 29 O 0.82154001018570 0.82154001018570 0.96864702722243 15.999 30 O 0.47669746811329 0.03920495457033 0.73174608354966 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.354063860119350 0.000000000000000 0.000000000000000 b 0.000000000000000 16.181296100000004 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): 1 La 0.75000000000000 0.37500000000000 0.00000000000000 138.905 > 1 2 La 0.75000000000000 0.87500000000000 0.00000000000000 138.905 > 1 3 La 0.75000000000000 0.12500000000000 0.00000000000000 138.905 > 3 4 La 0.75000000000000 0.62500000000000 0.00000000000000 138.905 > 3 5 La 0.25000000000000 0.12500000000000 0.00000000000000 138.905 > 1 6 La 0.25000000000000 0.62500000000000 0.00000000000000 138.905 > 1 7 La 0.25000000000000 0.37500000000000 0.00000000000000 138.905 > 3 8 La 0.25000000000000 0.87500000000000 0.00000000000000 138.905 > 3 9 Pb 0.79805450506824 0.00000000000000 0.71823863539057 207.200 > 9 10 Pb 0.79805450506824 0.50000000000000 0.71823863539057 207.200 > 9 11 Pb 0.62777735407091 0.36667393879391 0.54690548728353 207.200 > 11 12 Pb 0.62777735407091 0.86667393879391 0.54690548728353 207.200 > 11 13 Pb 0.95102037819911 0.00000000000000 0.17539947742720 207.200 > 13 14 Pb 0.95102037819911 0.50000000000000 0.17539947742720 207.200 > 13 15 Pb 0.55745803053487 0.00000000000000 0.75914861736782 207.200 > 15 16 Pb 0.55745803053487 0.50000000000000 0.75914861736782 207.200 > 15 17 Pb 0.87222264592909 0.11667393879391 0.45309451271647 207.200 > 17 18 Pb 0.87222264592909 0.61667393879391 0.45309451271647 207.200 > 17 19 Pb 0.65417791522224 0.00000000000000 0.21628753018269 207.200 > 19 20 Pb 0.65417791522224 0.50000000000000 0.21628753018269 207.200 > 19 21 Pb 0.84582208477776 0.25000000000000 0.78371246981731 207.200 > 21 22 Pb 0.84582208477776 0.75000000000000 0.78371246981731 207.200 > 21 23 Pb 0.94254196946513 0.25000000000000 0.24085138263218 207.200 > 23 24 Pb 0.94254196946513 0.75000000000000 0.24085138263218 207.200 > 23 25 Pb 0.70194549493176 0.25000000000000 0.28176136460943 207.200 > 25 26 Pb 0.70194549493176 0.75000000000000 0.28176136460943 207.200 > 25 27 Pb 0.62777735407091 0.13332606120609 0.54690548728353 207.200 > 27 28 Pb 0.62777735407091 0.63332606120609 0.54690548728353 207.200 > 27 29 Pb 0.87222264592909 0.38332606120609 0.45309451271647 207.200 > 29 30 Pb 0.87222264592909 0.88332606120609 0.45309451271647 207.200 > 29 31 Pb 0.54897962180089 0.25000000000000 0.82460052257280 207.200 > 31 32 Pb 0.54897962180089 0.75000000000000 0.82460052257280 207.200 > 31 33 Pb 0.29805450506824 0.25000000000000 0.71823863539057 207.200 > 9 34 Pb 0.29805450506824 0.75000000000000 0.71823863539057 207.200 > 9 35 Pb 0.12777735407091 0.11667393879391 0.54690548728353 207.200 > 11 36 Pb 0.12777735407091 0.61667393879391 0.54690548728353 207.200 > 11 37 Pb 0.45102037819911 0.25000000000000 0.17539947742720 207.200 > 13 38 Pb 0.45102037819911 0.75000000000000 0.17539947742720 207.200 > 13 39 Pb 0.05745803053487 0.25000000000000 0.75914861736782 207.200 > 15 40 Pb 0.05745803053487 0.75000000000000 0.75914861736782 207.200 > 15 41 Pb 0.37222264592909 0.36667393879391 0.45309451271647 207.200 > 17 42 Pb 0.37222264592909 0.86667393879391 0.45309451271647 207.200 > 17 43 Pb 0.15417791522224 0.25000000000000 0.21628753018269 207.200 > 19 44 Pb 0.15417791522224 0.75000000000000 0.21628753018269 207.200 > 19 45 Pb 0.34582208477776 0.00000000000000 0.78371246981731 207.200 > 21 46 Pb 0.34582208477776 0.50000000000000 0.78371246981731 207.200 > 21 47 Pb 0.44254196946513 0.00000000000000 0.24085138263218 207.200 > 23 48 Pb 0.44254196946513 0.50000000000000 0.24085138263218 207.200 > 23 49 Pb 0.20194549493176 0.00000000000000 0.28176136460943 207.200 > 25 50 Pb 0.20194549493176 0.50000000000000 0.28176136460943 207.200 > 25 51 Pb 0.12777735407091 0.38332606120609 0.54690548728353 207.200 > 27 52 Pb 0.12777735407091 0.88332606120609 0.54690548728353 207.200 > 27 53 Pb 0.37222264592909 0.13332606120609 0.45309451271647 207.200 > 29 54 Pb 0.37222264592909 0.63332606120609 0.45309451271647 207.200 > 29 55 Pb 0.04897962180089 0.00000000000000 0.82460052257280 207.200 > 31 56 Pb 0.04897962180089 0.50000000000000 0.82460052257280 207.200 > 31 57 Cl 0.00000000000000 0.13744252918084 0.00000000000000 35.453 > 57 58 Cl 0.00000000000000 0.63744252918084 0.00000000000000 35.453 > 57 59 Cl 0.00000000000000 0.36255747081916 0.00000000000000 35.453 > 59 60 Cl 0.00000000000000 0.86255747081916 0.00000000000000 35.453 > 59 61 Cl 0.50000000000000 0.38744252918084 0.00000000000000 35.453 > 57 62 Cl 0.50000000000000 0.88744252918084 0.00000000000000 35.453 > 57 63 Cl 0.50000000000000 0.11255747081916 0.00000000000000 35.453 > 59 64 Cl 0.50000000000000 0.61255747081916 0.00000000000000 35.453 > 59 65 O 0.74204878865819 0.10937312838574 0.26825391645034 15.999 > 65 66 O 0.74204878865819 0.60937312838574 0.26825391645034 15.999 > 65 67 O 0.66869528460000 0.00000000000000 0.99296707082528 15.999 > 67 68 O 0.66869528460000 0.50000000000000 0.99296707082528 15.999 > 67 69 O 0.84956333770315 0.25000000000000 0.37973297951448 15.999 > 69 70 O 0.84956333770315 0.75000000000000 0.37973297951448 15.999 > 69 71 O 0.60466798030981 0.13959725890253 0.75452444839417 15.999 > 71 72 O 0.60466798030981 0.63959725890253 0.75452444839417 15.999 > 71 73 O 0.60466798030981 0.36040274109747 0.75452444839417 15.999 > 73 74 O 0.60466798030981 0.86040274109747 0.75452444839417 15.999 > 73 75 O 0.89533201969019 0.11040274109747 0.24547555160583 15.999 > 75 76 O 0.89533201969019 0.61040274109747 0.24547555160583 15.999 > 75 77 O 0.83130471540000 0.25000000000000 0.00703292917472 15.999 > 77 78 O 0.83130471540000 0.75000000000000 0.00703292917472 15.999 > 77 79 O 0.89533201969019 0.38959725890253 0.24547555160583 15.999 > 79 80 O 0.89533201969019 0.88959725890253 0.24547555160583 15.999 > 79 81 O 0.74204878865819 0.39062687161426 0.26825391645034 15.999 > 81 82 O 0.74204878865819 0.89062687161426 0.26825391645034 15.999 > 81 83 O 0.67845998981430 0.25000000000000 0.03135297277757 15.999 > 83 84 O 0.67845998981430 0.75000000000000 0.03135297277757 15.999 > 83 85 O 0.75795121134181 0.35937312838574 0.73174608354966 15.999 > 85 86 O 0.75795121134181 0.85937312838574 0.73174608354966 15.999 > 85 87 O 0.65043666229685 0.00000000000000 0.62026702048552 15.999 > 87 88 O 0.65043666229685 0.50000000000000 0.62026702048552 15.999 > 87 89 O 0.82154001018570 0.00000000000000 0.96864702722243 15.999 > 89 90 O 0.82154001018570 0.50000000000000 0.96864702722243 15.999 > 89 91 O 0.75795121134181 0.14062687161426 0.73174608354966 15.999 > 91 92 O 0.75795121134181 0.64062687161426 0.73174608354966 15.999 > 91 93 O 0.24204878865819 0.35937312838574 0.26825391645034 15.999 > 65 94 O 0.24204878865819 0.85937312838574 0.26825391645034 15.999 > 65 95 O 0.16869528460000 0.25000000000000 0.99296707082528 15.999 > 67 96 O 0.16869528460000 0.75000000000000 0.99296707082528 15.999 > 67 97 O 0.34956333770315 0.00000000000000 0.37973297951448 15.999 > 69 98 O 0.34956333770315 0.50000000000000 0.37973297951448 15.999 > 69 99 O 0.10466798030981 0.38959725890253 0.75452444839417 15.999 > 71 100 O 0.10466798030981 0.88959725890253 0.75452444839417 15.999 > 71 101 O 0.10466798030981 0.11040274109747 0.75452444839417 15.999 > 73 102 O 0.10466798030981 0.61040274109747 0.75452444839417 15.999 > 73 103 O 0.39533201969019 0.36040274109747 0.24547555160583 15.999 > 75 104 O 0.39533201969019 0.86040274109747 0.24547555160583 15.999 > 75 105 O 0.33130471540000 0.00000000000000 0.00703292917472 15.999 > 77 106 O 0.33130471540000 0.50000000000000 0.00703292917472 15.999 > 77 107 O 0.39533201969019 0.13959725890253 0.24547555160583 15.999 > 79 108 O 0.39533201969019 0.63959725890253 0.24547555160583 15.999 > 79 109 O 0.24204878865819 0.14062687161426 0.26825391645034 15.999 > 81 110 O 0.24204878865819 0.64062687161426 0.26825391645034 15.999 > 81 111 O 0.17845998981430 0.00000000000000 0.03135297277757 15.999 > 83 112 O 0.17845998981430 0.50000000000000 0.03135297277757 15.999 > 83 113 O 0.25795121134181 0.10937312838574 0.73174608354966 15.999 > 85 114 O 0.25795121134181 0.60937312838574 0.73174608354966 15.999 > 85 115 O 0.15043666229685 0.25000000000000 0.62026702048552 15.999 > 87 116 O 0.15043666229685 0.75000000000000 0.62026702048552 15.999 > 87 117 O 0.32154001018570 0.25000000000000 0.96864702722243 15.999 > 89 118 O 0.32154001018570 0.75000000000000 0.96864702722243 15.999 > 89 119 O 0.25795121134181 0.39062687161426 0.73174608354966 15.999 > 91 120 O 0.25795121134181 0.89062687161426 0.73174608354966 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7980617 0.0000000 -0.0566077 0.0000000 6.2855613 0.0000000 -0.0566160 0.0000000 5.7578443 -------------------------- Born effective charges -------------------------- 1 La 4.1024537 -0.0966291 0.0131706 -0.0432977 4.1742571 -0.2510135 -0.0104711 -0.1238660 4.1607979 2 La 4.1024537 0.0966291 0.0131706 0.0432977 4.1742571 0.2510135 -0.0104711 0.1238660 4.1607979 3 Pb 2.3211744 0.0000000 0.0846499 0.0000000 3.3597005 0.0000000 -0.3261466 0.0000000 2.5529520 4 Pb 2.3201033 -0.0068140 -0.0915539 -0.0285498 2.3072618 0.3797905 -0.0068705 0.2466969 2.8068636 5 Pb 2.9997512 0.0000000 -0.0365725 0.0000000 3.9836553 0.0000000 0.2692539 0.0000000 2.3811622 6 Pb 2.7597284 0.0000000 -0.2257458 0.0000000 3.4492475 0.0000000 0.2063523 0.0000000 2.6456330 7 Pb 2.3201033 0.0068140 -0.0915539 0.0285498 2.3072618 -0.3797905 -0.0068705 -0.2466969 2.8068636 8 Pb 2.9283481 0.0000000 0.2558829 0.0000000 3.4551234 0.0000000 -0.0859098 0.0000000 2.6402556 9 Pb 2.9283481 0.0000000 0.2558829 0.0000000 3.4551234 0.0000000 -0.0859098 0.0000000 2.6402556 10 Pb 2.7597284 0.0000000 -0.2257458 0.0000000 3.4492475 0.0000000 0.2063523 0.0000000 2.6456330 11 Pb 2.3211744 0.0000000 0.0846499 0.0000000 3.3597005 0.0000000 -0.3261466 0.0000000 2.5529520 12 Pb 2.3201033 0.0068140 -0.0915539 0.0285498 2.3072618 -0.3797905 -0.0068705 -0.2466969 2.8068636 13 Pb 2.3201033 -0.0068140 -0.0915539 -0.0285498 2.3072618 0.3797905 -0.0068705 0.2466969 2.8068636 14 Pb 2.9997512 0.0000000 -0.0365725 0.0000000 3.9836553 0.0000000 0.2692539 0.0000000 2.3811622 15 Cl -2.0080093 0.0000000 0.1178499 0.0000000 -2.2442318 0.0000000 0.0949876 0.0000000 -1.7778275 16 Cl -2.0080093 0.0000000 0.1178499 0.0000000 -2.2442318 0.0000000 0.0949876 0.0000000 -1.7778275 17 O -2.5697578 -0.5361053 -0.7224254 -0.6448364 -3.0780539 -0.4556125 -0.4907295 -0.3478467 -2.2562296 18 O -2.3464630 0.0000000 -0.0220137 0.0000000 -2.1899667 0.0000000 0.0479374 0.0000000 -3.5013558 19 O -2.9616386 0.0000000 0.0020993 0.0000000 -4.2788436 0.0000000 0.0376436 0.0000000 -1.6250890 20 O -2.5521722 0.4069662 0.8021758 0.4892924 -3.0102857 -0.4640164 0.5073406 -0.3280775 -2.4692470 21 O -2.5521722 -0.4069662 0.8021758 -0.4892924 -3.0102857 0.4640164 0.5073406 0.3280775 -2.4692470 22 O -2.5521722 0.4069662 0.8021758 0.4892924 -3.0102857 -0.4640164 0.5073406 -0.3280775 -2.4692470 23 O -2.3464630 0.0000000 -0.0220137 0.0000000 -2.1899667 0.0000000 0.0479374 0.0000000 -3.5013558 24 O -2.5521722 -0.4069662 0.8021758 -0.4892924 -3.0102857 0.4640164 0.5073406 0.3280775 -2.4692470 25 O -2.5697578 0.5361053 -0.7224254 0.6448364 -3.0780539 0.4556125 -0.4907295 0.3478467 -2.2562296 26 O -2.1916917 0.0000000 -0.1657135 0.0000000 -2.1467861 0.0000000 -0.2531285 0.0000000 -3.6393020 27 O -2.5697578 0.5361053 -0.7224254 0.6448364 -3.0780539 0.4556125 -0.4907295 0.3478467 -2.2562296 28 O -2.9616386 0.0000000 0.0020993 0.0000000 -4.2788436 0.0000000 0.0376436 0.0000000 -1.6250890 29 O -2.1916917 0.0000000 -0.1657135 0.0000000 -2.1467861 0.0000000 -0.2531285 0.0000000 -3.6393020 30 O -2.5697578 -0.5361053 -0.7224254 -0.6448364 -3.0780539 -0.4556125 -0.4907295 -0.3478467 -2.2562296 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 15, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 83, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:39:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:39:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.177031930059675 -4.045324025000001 0.000000000000000 b 9.177031930059675 4.045324025000001 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): 1 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 2 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 3 Pb 0.79805450506824 0.79805450506824 0.71823863539057 207.200 4 Pb 0.89442947648310 0.36112523165872 0.54690548728353 207.200 5 Pb 0.95102037819911 0.95102037819911 0.17539947742720 207.200 6 Pb 0.55745803053487 0.55745803053487 0.75914861736782 207.200 7 Pb 0.63887476834128 0.10557052351690 0.45309451271647 207.200 8 Pb 0.65417791522224 0.65417791522224 0.21628753018269 207.200 9 Pb 0.34582208477776 0.34582208477776 0.78371246981731 207.200 10 Pb 0.44254196946513 0.44254196946513 0.24085138263218 207.200 11 Pb 0.20194549493176 0.20194549493176 0.28176136460943 207.200 12 Pb 0.36112523165872 0.89442947648310 0.54690548728353 207.200 13 Pb 0.10557052351690 0.63887476834128 0.45309451271647 207.200 14 Pb 0.04897962180089 0.04897962180089 0.82460052257280 207.200 15 Cl 0.72511494163833 0.27488505836167 0.00000000000000 35.453 16 Cl 0.27488505836167 0.72511494163833 0.00000000000000 35.453 17 O 0.52330253188671 0.96079504542967 0.26825391645034 15.999 18 O 0.66869528460000 0.66869528460000 0.99296707082528 15.999 19 O 0.34956333770315 0.34956333770315 0.37973297951448 15.999 20 O 0.32547346250476 0.88386249811486 0.75452444839417 15.999 21 O 0.88386249811486 0.32547346250476 0.75452444839417 15.999 22 O 0.67452653749524 0.11613750188514 0.24547555160583 15.999 23 O 0.33130471540000 0.33130471540000 0.00703292917472 15.999 24 O 0.11613750188514 0.67452653749524 0.24547555160583 15.999 25 O 0.96079504542967 0.52330253188671 0.26825391645034 15.999 26 O 0.17845998981430 0.17845998981430 0.03135297277757 15.999 27 O 0.03920495457033 0.47669746811329 0.73174608354966 15.999 28 O 0.65043666229685 0.65043666229685 0.62026702048552 15.999 29 O 0.82154001018570 0.82154001018570 0.96864702722243 15.999 30 O 0.47669746811329 0.03920495457033 0.73174608354966 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.354063860119350 0.000000000000000 0.000000000000000 b 0.000000000000000 16.181296100000004 0.000000000000000 c -4.451138757709521 0.000000000000000 8.266765592132282 Atomic positions (fractional): 1 La 0.75000000000000 0.37500000000000 0.00000000000000 138.905 > 1 2 La 0.75000000000000 0.87500000000000 0.00000000000000 138.905 > 1 3 La 0.75000000000000 0.12500000000000 0.00000000000000 138.905 > 3 4 La 0.75000000000000 0.62500000000000 0.00000000000000 138.905 > 3 5 La 0.25000000000000 0.12500000000000 0.00000000000000 138.905 > 1 6 La 0.25000000000000 0.62500000000000 0.00000000000000 138.905 > 1 7 La 0.25000000000000 0.37500000000000 0.00000000000000 138.905 > 3 8 La 0.25000000000000 0.87500000000000 0.00000000000000 138.905 > 3 9 Pb 0.79805450506824 0.00000000000000 0.71823863539057 207.200 > 9 10 Pb 0.79805450506824 0.50000000000000 0.71823863539057 207.200 > 9 11 Pb 0.62777735407091 0.36667393879391 0.54690548728353 207.200 > 11 12 Pb 0.62777735407091 0.86667393879391 0.54690548728353 207.200 > 11 13 Pb 0.95102037819911 0.00000000000000 0.17539947742720 207.200 > 13 14 Pb 0.95102037819911 0.50000000000000 0.17539947742720 207.200 > 13 15 Pb 0.55745803053487 0.00000000000000 0.75914861736782 207.200 > 15 16 Pb 0.55745803053487 0.50000000000000 0.75914861736782 207.200 > 15 17 Pb 0.87222264592909 0.11667393879391 0.45309451271647 207.200 > 17 18 Pb 0.87222264592909 0.61667393879391 0.45309451271647 207.200 > 17 19 Pb 0.65417791522224 0.00000000000000 0.21628753018269 207.200 > 19 20 Pb 0.65417791522224 0.50000000000000 0.21628753018269 207.200 > 19 21 Pb 0.84582208477776 0.25000000000000 0.78371246981731 207.200 > 21 22 Pb 0.84582208477776 0.75000000000000 0.78371246981731 207.200 > 21 23 Pb 0.94254196946513 0.25000000000000 0.24085138263218 207.200 > 23 24 Pb 0.94254196946513 0.75000000000000 0.24085138263218 207.200 > 23 25 Pb 0.70194549493176 0.25000000000000 0.28176136460943 207.200 > 25 26 Pb 0.70194549493176 0.75000000000000 0.28176136460943 207.200 > 25 27 Pb 0.62777735407091 0.13332606120609 0.54690548728353 207.200 > 27 28 Pb 0.62777735407091 0.63332606120609 0.54690548728353 207.200 > 27 29 Pb 0.87222264592909 0.38332606120609 0.45309451271647 207.200 > 29 30 Pb 0.87222264592909 0.88332606120609 0.45309451271647 207.200 > 29 31 Pb 0.54897962180089 0.25000000000000 0.82460052257280 207.200 > 31 32 Pb 0.54897962180089 0.75000000000000 0.82460052257280 207.200 > 31 33 Pb 0.29805450506824 0.25000000000000 0.71823863539057 207.200 > 9 34 Pb 0.29805450506824 0.75000000000000 0.71823863539057 207.200 > 9 35 Pb 0.12777735407091 0.11667393879391 0.54690548728353 207.200 > 11 36 Pb 0.12777735407091 0.61667393879391 0.54690548728353 207.200 > 11 37 Pb 0.45102037819911 0.25000000000000 0.17539947742720 207.200 > 13 38 Pb 0.45102037819911 0.75000000000000 0.17539947742720 207.200 > 13 39 Pb 0.05745803053487 0.25000000000000 0.75914861736782 207.200 > 15 40 Pb 0.05745803053487 0.75000000000000 0.75914861736782 207.200 > 15 41 Pb 0.37222264592909 0.36667393879391 0.45309451271647 207.200 > 17 42 Pb 0.37222264592909 0.86667393879391 0.45309451271647 207.200 > 17 43 Pb 0.15417791522224 0.25000000000000 0.21628753018269 207.200 > 19 44 Pb 0.15417791522224 0.75000000000000 0.21628753018269 207.200 > 19 45 Pb 0.34582208477776 0.00000000000000 0.78371246981731 207.200 > 21 46 Pb 0.34582208477776 0.50000000000000 0.78371246981731 207.200 > 21 47 Pb 0.44254196946513 0.00000000000000 0.24085138263218 207.200 > 23 48 Pb 0.44254196946513 0.50000000000000 0.24085138263218 207.200 > 23 49 Pb 0.20194549493176 0.00000000000000 0.28176136460943 207.200 > 25 50 Pb 0.20194549493176 0.50000000000000 0.28176136460943 207.200 > 25 51 Pb 0.12777735407091 0.38332606120609 0.54690548728353 207.200 > 27 52 Pb 0.12777735407091 0.88332606120609 0.54690548728353 207.200 > 27 53 Pb 0.37222264592909 0.13332606120609 0.45309451271647 207.200 > 29 54 Pb 0.37222264592909 0.63332606120609 0.45309451271647 207.200 > 29 55 Pb 0.04897962180089 0.00000000000000 0.82460052257280 207.200 > 31 56 Pb 0.04897962180089 0.50000000000000 0.82460052257280 207.200 > 31 57 Cl 0.00000000000000 0.13744252918084 0.00000000000000 35.453 > 57 58 Cl 0.00000000000000 0.63744252918084 0.00000000000000 35.453 > 57 59 Cl 0.00000000000000 0.36255747081916 0.00000000000000 35.453 > 59 60 Cl 0.00000000000000 0.86255747081916 0.00000000000000 35.453 > 59 61 Cl 0.50000000000000 0.38744252918084 0.00000000000000 35.453 > 57 62 Cl 0.50000000000000 0.88744252918084 0.00000000000000 35.453 > 57 63 Cl 0.50000000000000 0.11255747081916 0.00000000000000 35.453 > 59 64 Cl 0.50000000000000 0.61255747081916 0.00000000000000 35.453 > 59 65 O 0.74204878865819 0.10937312838574 0.26825391645034 15.999 > 65 66 O 0.74204878865819 0.60937312838574 0.26825391645034 15.999 > 65 67 O 0.66869528460000 0.00000000000000 0.99296707082528 15.999 > 67 68 O 0.66869528460000 0.50000000000000 0.99296707082528 15.999 > 67 69 O 0.84956333770315 0.25000000000000 0.37973297951448 15.999 > 69 70 O 0.84956333770315 0.75000000000000 0.37973297951448 15.999 > 69 71 O 0.60466798030981 0.13959725890253 0.75452444839417 15.999 > 71 72 O 0.60466798030981 0.63959725890253 0.75452444839417 15.999 > 71 73 O 0.60466798030981 0.36040274109747 0.75452444839417 15.999 > 73 74 O 0.60466798030981 0.86040274109747 0.75452444839417 15.999 > 73 75 O 0.89533201969019 0.11040274109747 0.24547555160583 15.999 > 75 76 O 0.89533201969019 0.61040274109747 0.24547555160583 15.999 > 75 77 O 0.83130471540000 0.25000000000000 0.00703292917472 15.999 > 77 78 O 0.83130471540000 0.75000000000000 0.00703292917472 15.999 > 77 79 O 0.89533201969019 0.38959725890253 0.24547555160583 15.999 > 79 80 O 0.89533201969019 0.88959725890253 0.24547555160583 15.999 > 79 81 O 0.74204878865819 0.39062687161426 0.26825391645034 15.999 > 81 82 O 0.74204878865819 0.89062687161426 0.26825391645034 15.999 > 81 83 O 0.67845998981430 0.25000000000000 0.03135297277757 15.999 > 83 84 O 0.67845998981430 0.75000000000000 0.03135297277757 15.999 > 83 85 O 0.75795121134181 0.35937312838574 0.73174608354966 15.999 > 85 86 O 0.75795121134181 0.85937312838574 0.73174608354966 15.999 > 85 87 O 0.65043666229685 0.00000000000000 0.62026702048552 15.999 > 87 88 O 0.65043666229685 0.50000000000000 0.62026702048552 15.999 > 87 89 O 0.82154001018570 0.00000000000000 0.96864702722243 15.999 > 89 90 O 0.82154001018570 0.50000000000000 0.96864702722243 15.999 > 89 91 O 0.75795121134181 0.14062687161426 0.73174608354966 15.999 > 91 92 O 0.75795121134181 0.64062687161426 0.73174608354966 15.999 > 91 93 O 0.24204878865819 0.35937312838574 0.26825391645034 15.999 > 65 94 O 0.24204878865819 0.85937312838574 0.26825391645034 15.999 > 65 95 O 0.16869528460000 0.25000000000000 0.99296707082528 15.999 > 67 96 O 0.16869528460000 0.75000000000000 0.99296707082528 15.999 > 67 97 O 0.34956333770315 0.00000000000000 0.37973297951448 15.999 > 69 98 O 0.34956333770315 0.50000000000000 0.37973297951448 15.999 > 69 99 O 0.10466798030981 0.38959725890253 0.75452444839417 15.999 > 71 100 O 0.10466798030981 0.88959725890253 0.75452444839417 15.999 > 71 101 O 0.10466798030981 0.11040274109747 0.75452444839417 15.999 > 73 102 O 0.10466798030981 0.61040274109747 0.75452444839417 15.999 > 73 103 O 0.39533201969019 0.36040274109747 0.24547555160583 15.999 > 75 104 O 0.39533201969019 0.86040274109747 0.24547555160583 15.999 > 75 105 O 0.33130471540000 0.00000000000000 0.00703292917472 15.999 > 77 106 O 0.33130471540000 0.50000000000000 0.00703292917472 15.999 > 77 107 O 0.39533201969019 0.13959725890253 0.24547555160583 15.999 > 79 108 O 0.39533201969019 0.63959725890253 0.24547555160583 15.999 > 79 109 O 0.24204878865819 0.14062687161426 0.26825391645034 15.999 > 81 110 O 0.24204878865819 0.64062687161426 0.26825391645034 15.999 > 81 111 O 0.17845998981430 0.00000000000000 0.03135297277757 15.999 > 83 112 O 0.17845998981430 0.50000000000000 0.03135297277757 15.999 > 83 113 O 0.25795121134181 0.10937312838574 0.73174608354966 15.999 > 85 114 O 0.25795121134181 0.60937312838574 0.73174608354966 15.999 > 85 115 O 0.15043666229685 0.25000000000000 0.62026702048552 15.999 > 87 116 O 0.15043666229685 0.75000000000000 0.62026702048552 15.999 > 87 117 O 0.32154001018570 0.25000000000000 0.96864702722243 15.999 > 89 118 O 0.32154001018570 0.75000000000000 0.96864702722243 15.999 > 89 119 O 0.25795121134181 0.39062687161426 0.73174608354966 15.999 > 91 120 O 0.25795121134181 0.89062687161426 0.73174608354966 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7980617 0.0000000 -0.0566077 0.0000000 6.2855613 0.0000000 -0.0566160 0.0000000 5.7578443 -------------------------- Born effective charges -------------------------- 1 La 4.1024537 -0.0966291 0.0131706 -0.0432977 4.1742571 -0.2510135 -0.0104711 -0.1238660 4.1607979 2 La 4.1024537 0.0966291 0.0131706 0.0432977 4.1742571 0.2510135 -0.0104711 0.1238660 4.1607979 3 Pb 2.3211744 0.0000000 0.0846499 0.0000000 3.3597005 0.0000000 -0.3261466 0.0000000 2.5529520 4 Pb 2.3201033 -0.0068140 -0.0915539 -0.0285498 2.3072618 0.3797905 -0.0068705 0.2466969 2.8068636 5 Pb 2.9997512 0.0000000 -0.0365725 0.0000000 3.9836553 0.0000000 0.2692539 0.0000000 2.3811622 6 Pb 2.7597284 0.0000000 -0.2257458 0.0000000 3.4492475 0.0000000 0.2063523 0.0000000 2.6456330 7 Pb 2.3201033 0.0068140 -0.0915539 0.0285498 2.3072618 -0.3797905 -0.0068705 -0.2466969 2.8068636 8 Pb 2.9283481 0.0000000 0.2558829 0.0000000 3.4551234 0.0000000 -0.0859098 0.0000000 2.6402556 9 Pb 2.9283481 0.0000000 0.2558829 0.0000000 3.4551234 0.0000000 -0.0859098 0.0000000 2.6402556 10 Pb 2.7597284 0.0000000 -0.2257458 0.0000000 3.4492475 0.0000000 0.2063523 0.0000000 2.6456330 11 Pb 2.3211744 0.0000000 0.0846499 0.0000000 3.3597005 0.0000000 -0.3261466 0.0000000 2.5529520 12 Pb 2.3201033 0.0068140 -0.0915539 0.0285498 2.3072618 -0.3797905 -0.0068705 -0.2466969 2.8068636 13 Pb 2.3201033 -0.0068140 -0.0915539 -0.0285498 2.3072618 0.3797905 -0.0068705 0.2466969 2.8068636 14 Pb 2.9997512 0.0000000 -0.0365725 0.0000000 3.9836553 0.0000000 0.2692539 0.0000000 2.3811622 15 Cl -2.0080093 0.0000000 0.1178499 0.0000000 -2.2442318 0.0000000 0.0949876 0.0000000 -1.7778275 16 Cl -2.0080093 0.0000000 0.1178499 0.0000000 -2.2442318 0.0000000 0.0949876 0.0000000 -1.7778275 17 O -2.5697578 -0.5361053 -0.7224254 -0.6448364 -3.0780539 -0.4556125 -0.4907295 -0.3478467 -2.2562296 18 O -2.3464630 0.0000000 -0.0220137 0.0000000 -2.1899667 0.0000000 0.0479374 0.0000000 -3.5013558 19 O -2.9616386 0.0000000 0.0020993 0.0000000 -4.2788436 0.0000000 0.0376436 0.0000000 -1.6250890 20 O -2.5521722 0.4069662 0.8021758 0.4892924 -3.0102857 -0.4640164 0.5073406 -0.3280775 -2.4692470 21 O -2.5521722 -0.4069662 0.8021758 -0.4892924 -3.0102857 0.4640164 0.5073406 0.3280775 -2.4692470 22 O -2.5521722 0.4069662 0.8021758 0.4892924 -3.0102857 -0.4640164 0.5073406 -0.3280775 -2.4692470 23 O -2.3464630 0.0000000 -0.0220137 0.0000000 -2.1899667 0.0000000 0.0479374 0.0000000 -3.5013558 24 O -2.5521722 -0.4069662 0.8021758 -0.4892924 -3.0102857 0.4640164 0.5073406 0.3280775 -2.4692470 25 O -2.5697578 0.5361053 -0.7224254 0.6448364 -3.0780539 0.4556125 -0.4907295 0.3478467 -2.2562296 26 O -2.1916917 0.0000000 -0.1657135 0.0000000 -2.1467861 0.0000000 -0.2531285 0.0000000 -3.6393020 27 O -2.5697578 0.5361053 -0.7224254 0.6448364 -3.0780539 0.4556125 -0.4907295 0.3478467 -2.2562296 28 O -2.9616386 0.0000000 0.0020993 0.0000000 -4.2788436 0.0000000 0.0376436 0.0000000 -1.6250890 29 O -2.1916917 0.0000000 -0.1657135 0.0000000 -2.1467861 0.0000000 -0.2531285 0.0000000 -3.6393020 30 O -2.5697578 -0.5361053 -0.7224254 -0.6448364 -3.0780539 -0.4556125 -0.4907295 -0.3478467 -2.2562296 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) 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 ... [ 7 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 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 0.470 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.263 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.561 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.727 ( 0.000 0.000 0.000) 0.000 11.065 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 12.673 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.096 ( 0.000 0.000 0.000) 0.000 13.445 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 15.096 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 15.995 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( 9.445 -8.165 1.335) 12.556 0.253 ( 3.802 -12.586 0.546) 13.159 0.521 ( 1.585 -11.570 3.326) 12.142 0.587 ( 0.464 -24.282 1.461) 24.330 1.158 ( 3.660 5.684 -0.333) 6.769 1.250 ( -0.871 1.815 0.450) 2.063 1.297 ( -0.794 5.181 -1.238) 5.386 1.339 ( 0.512 -5.485 -0.504) 5.531 1.423 ( 2.067 -7.184 0.999) 7.541 1.605 ( 0.217 -3.658 0.014) 3.664 1.653 ( 0.859 -0.906 -0.162) 1.259 1.679 ( 0.526 -0.692 0.419) 0.965 1.804 ( -0.111 -1.518 0.219) 1.537 1.833 ( -0.791 -0.869 -0.986) 1.534 1.849 ( -0.172 2.932 0.259) 2.948 1.957 ( -1.092 -1.608 0.465) 1.998 2.011 ( -0.783 2.589 -2.044) 3.390 2.020 ( -3.095 -1.242 -0.255) 3.345 2.143 ( -0.970 1.237 -0.172) 1.581 2.218 ( 0.168 -3.408 -0.135) 3.415 2.280 ( 1.327 4.147 0.793) 4.426 2.426 ( -0.372 1.549 0.201) 1.606 2.441 ( -0.163 -0.489 1.010) 1.134 2.493 ( 0.800 0.478 -0.591) 1.103 2.546 ( 0.550 7.652 -0.831) 7.717 2.622 ( -1.147 0.445 0.628) 1.381 2.661 ( 1.016 3.863 -0.354) 4.011 2.718 ( 3.181 2.256 0.686) 3.959 2.786 ( 0.859 4.680 -0.630) 4.799 2.876 ( -0.103 0.552 -0.607) 0.827 2.917 ( -0.716 4.389 1.332) 4.642 2.941 ( 1.028 -2.572 -1.859) 3.336 2.990 ( 0.417 3.917 -3.528) 5.288 3.048 ( -0.135 1.702 0.474) 1.772 3.088 ( -1.003 1.864 2.938) 3.621 3.120 ( 3.557 -0.631 -0.550) 3.654 3.163 ( -1.197 1.800 0.479) 2.214 3.327 ( -3.409 -0.851 -1.897) 3.993 3.358 ( -0.666 -2.488 0.923) 2.735 3.445 ( 2.277 1.249 -6.419) 6.924 3.467 ( 0.171 -3.186 -0.479) 3.226 3.484 ( 2.092 -2.859 -1.140) 3.722 3.600 ( 1.420 -4.258 2.265) 5.027 3.875 ( -0.977 -5.080 0.229) 5.178 4.149 ( -1.184 -5.614 -0.879) 5.805 4.186 ( -0.197 2.536 4.614) 5.269 4.273 ( -1.041 -7.911 -0.943) 8.035 4.653 ( -0.910 4.237 -0.173) 4.338 5.032 ( 0.291 8.375 0.014) 8.380 5.495 ( 0.305 -7.147 0.160) 7.155 5.931 ( 0.654 5.179 -0.040) 5.221 5.999 ( 0.523 3.075 0.970) 3.266 6.017 ( 2.479 6.228 -0.637) 6.734 6.777 ( 2.674 12.110 0.263) 12.404 7.067 ( 0.330 5.214 1.086) 5.336 7.209 ( -0.493 2.519 -0.319) 2.586 7.337 ( 0.579 -7.831 0.883) 7.902 7.500 ( 0.077 -4.515 1.807) 4.863 7.805 ( -6.363 -9.630 -10.196) 15.401 7.879 ( 0.138 -2.993 -0.393) 3.022 8.159 ( 5.055 2.290 -6.098) 8.245 8.616 ( -4.571 -8.812 -10.303) 14.308 8.760 ( -17.272 4.269 18.248) 25.486 9.322 ( -7.827 -10.927 -1.501) 13.525 9.426 ( 2.328 -0.728 0.506) 2.491 9.565 ( 0.218 -5.428 -0.114) 5.433 9.650 ( -2.003 -4.233 1.425) 4.895 9.806 ( -2.457 -2.201 1.269) 3.535 9.836 ( -0.924 -1.144 -0.244) 1.491 10.078 ( 1.302 1.508 0.514) 2.058 10.459 ( -12.262 -9.267 -16.699) 22.696 10.723 ( -4.700 -2.053 -3.315) 6.107 10.943 ( 1.377 12.062 0.666) 12.159 11.406 ( 4.159 9.101 5.769) 11.551 12.186 ( 0.139 -18.097 0.312) 18.100 12.664 ( 0.243 0.893 -0.246) 0.957 12.821 ( -2.321 0.984 -0.012) 2.521 12.923 ( -8.403 -5.089 2.230) 10.074 13.136 ( -2.522 -5.057 -0.280) 5.658 13.433 ( 0.427 1.549 -0.461) 1.672 13.474 ( 0.884 1.441 -0.689) 1.825 13.867 ( 4.557 -12.667 -67.510) 68.839 14.151 ( -0.034 0.238 3.037) 3.047 14.656 ( -24.873 -0.249 48.502) 54.509 15.201 ( 2.766 4.410 0.197) 5.209 15.295 ( 24.018 15.221 13.471) 31.464 15.497 ( 2.364 13.755 -0.536) 13.967 15.549 ( -2.633 12.355 -0.349) 12.637 16.061 ( 2.049 -12.245 -0.062) 12.416 16.192 ( 0.042 -14.531 2.098) 14.682 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 6.077 -11.156 1.718) 12.819 0.501 ( 2.602 -12.288 -0.094) 12.561 0.682 ( 0.963 -7.861 1.775) 8.116 1.031 ( -1.542 -11.511 0.901) 11.649 1.087 ( 1.451 1.190 -0.058) 1.878 1.180 ( -2.037 4.925 -0.190) 5.333 1.191 ( -0.245 0.156 -0.615) 0.680 1.441 ( 0.897 -3.966 0.040) 4.066 1.538 ( -0.303 -5.698 1.061) 5.804 1.656 ( -0.710 -1.679 -0.920) 2.042 1.685 ( -0.522 -0.007 0.993) 1.122 1.727 ( 1.505 -4.121 0.209) 4.392 1.780 ( -0.108 1.591 0.481) 1.666 1.869 ( -0.884 -2.594 -0.145) 2.744 1.903 ( 2.729 -8.176 -0.780) 8.655 1.946 ( 0.573 2.979 -1.113) 3.231 1.988 ( -2.798 -1.372 -1.052) 3.289 2.030 ( 1.024 -2.784 -0.228) 2.975 2.098 ( -1.855 2.101 0.178) 2.809 2.208 ( 0.258 3.324 -1.101) 3.512 2.298 ( 1.800 0.678 1.722) 2.581 2.313 ( 0.531 6.234 -0.630) 6.288 2.382 ( -0.770 2.436 -1.146) 2.800 2.470 ( 0.240 2.147 -0.415) 2.200 2.526 ( 1.191 2.217 0.770) 2.632 2.580 ( -1.030 2.915 0.797) 3.192 2.608 ( -0.730 1.947 0.748) 2.210 2.701 ( 0.259 2.568 0.330) 2.602 2.708 ( 0.693 2.029 -0.336) 2.171 2.822 ( -1.447 5.001 0.623) 5.244 2.849 ( -1.060 1.519 0.883) 2.052 2.879 ( -1.603 5.344 -1.757) 5.850 2.967 ( 0.733 6.618 0.531) 6.679 2.986 ( 0.729 -1.327 -0.883) 1.752 3.046 ( -1.344 2.135 -1.526) 2.948 3.141 ( 0.414 0.532 0.210) 0.706 3.152 ( 2.372 1.422 0.441) 2.801 3.324 ( -1.571 -1.915 -0.092) 2.479 3.351 ( -0.555 0.744 -0.428) 1.022 3.388 ( 1.162 1.919 -2.202) 3.143 3.490 ( -0.352 -0.274 -2.079) 2.126 3.707 ( 0.837 -11.638 1.218) 11.731 3.742 ( 0.776 -13.653 1.471) 13.754 3.966 ( -0.878 -5.576 0.825) 5.705 4.149 ( -0.053 2.479 1.806) 3.068 4.208 ( -1.586 -2.649 -0.502) 3.128 4.504 ( -0.577 -13.621 -0.698) 13.651 4.541 ( -0.646 3.033 0.010) 3.101 4.822 ( 0.492 15.425 -0.116) 15.433 5.530 ( 0.770 8.418 0.248) 8.457 5.848 ( -0.290 3.571 -0.312) 3.596 5.936 ( 0.948 4.930 0.798) 5.083 5.994 ( 0.486 -6.611 -0.214) 6.632 6.598 ( 3.973 11.583 1.101) 12.295 6.974 ( 0.025 5.347 1.514) 5.557 7.057 ( -0.299 9.118 -1.157) 9.196 7.576 ( -0.110 -13.555 3.339) 13.961 7.615 ( 0.963 -6.920 2.129) 7.303 7.887 ( -2.729 -5.993 -2.720) 7.124 7.937 ( 0.990 -2.580 -0.285) 2.778 8.118 ( 6.903 3.381 -12.605) 14.763 8.446 ( -10.471 7.829 4.489) 13.823 8.966 ( 0.261 -16.345 5.778) 17.339 9.388 ( -2.217 -3.676 -3.026) 5.252 9.437 ( 0.130 0.441 1.598) 1.663 9.616 ( -0.925 -1.887 -1.880) 2.820 9.726 ( -5.375 -1.390 3.333) 6.476 9.821 ( 0.343 -0.905 -0.748) 1.224 9.925 ( 3.480 -5.080 2.904) 6.808 10.078 ( 0.395 -3.703 -0.439) 3.750 10.453 ( -7.484 -3.457 -7.407) 11.082 10.688 ( -6.720 -1.065 -5.909) 9.012 10.747 ( -0.302 8.730 -0.996) 8.792 11.275 ( 5.744 11.543 4.009) 13.502 12.544 ( 0.162 -20.131 0.075) 20.132 12.652 ( 0.608 0.080 -0.880) 1.073 12.772 ( -0.758 3.125 1.106) 3.401 12.967 ( -1.475 -2.755 2.264) 3.859 13.202 ( -6.247 -5.672 -0.522) 8.454 13.387 ( 1.135 4.239 -0.646) 4.435 13.463 ( 2.955 0.494 -1.621) 3.406 13.770 ( -1.483 3.133 -20.941) 21.226 14.232 ( 1.181 -9.604 -7.867) 12.471 14.663 ( -8.397 1.624 18.895) 20.740 15.081 ( -0.478 10.167 6.970) 12.336 15.264 ( 5.491 7.302 7.475) 11.805 15.331 ( -2.531 6.791 0.550) 7.269 15.361 ( 5.962 5.738 -5.908) 10.168 16.256 ( 0.013 -8.749 -0.593) 8.769 16.439 ( 0.461 -11.361 1.612) 11.484 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 3.618 -10.040 1.639) 10.798 0.717 ( 1.262 -9.941 -0.585) 10.038 0.799 ( -0.382 -2.718 0.353) 2.767 0.932 ( -0.995 8.308 -0.045) 8.368 1.033 ( -1.091 6.201 -0.980) 6.372 1.042 ( 0.186 3.946 0.373) 3.968 1.415 ( -2.083 -9.561 -1.521) 9.903 1.499 ( 1.139 -3.442 1.055) 3.776 1.630 ( -0.478 -2.280 -0.854) 2.481 1.665 ( -0.516 -0.094 -0.682) 0.860 1.689 ( -0.771 -3.396 2.585) 4.337 1.735 ( -2.271 0.597 1.461) 2.766 1.823 ( 2.543 1.236 -1.232) 3.084 1.853 ( -0.088 2.086 0.781) 2.230 1.944 ( 1.353 -1.573 -0.630) 2.168 1.986 ( 1.865 -2.859 -0.925) 3.537 2.050 ( -1.272 2.184 0.101) 2.529 2.070 ( 2.549 -4.536 -1.499) 5.415 2.093 ( -1.705 -1.926 0.195) 2.579 2.125 ( -0.427 4.740 -0.075) 4.759 2.240 ( 1.319 -1.654 -0.477) 2.169 2.294 ( 1.078 1.737 0.701) 2.162 2.377 ( -0.193 0.232 -0.651) 0.718 2.434 ( -1.141 3.141 1.008) 3.491 2.460 ( 0.967 1.568 -1.013) 2.102 2.535 ( -0.488 1.516 0.536) 1.680 2.567 ( -1.132 1.623 1.038) 2.235 2.685 ( -1.412 0.454 0.963) 1.768 2.691 ( 0.546 -0.099 -0.450) 0.715 2.740 ( -0.909 2.773 0.003) 2.919 2.802 ( 0.966 1.022 0.557) 1.513 2.846 ( -2.168 -1.379 -0.365) 2.595 2.856 ( 0.208 4.097 0.010) 4.103 2.928 ( 1.380 6.729 -0.847) 6.921 3.039 ( -1.166 -1.766 -0.525) 2.181 3.127 ( 1.192 1.393 -0.639) 1.941 3.152 ( -0.237 -0.648 0.768) 1.032 3.321 ( 0.018 1.019 0.656) 1.212 3.379 ( -0.424 -2.360 -0.921) 2.569 3.384 ( 0.348 -1.251 0.747) 1.498 3.458 ( -0.174 1.937 -2.267) 2.987 3.833 ( 0.568 -3.455 0.818) 3.596 4.044 ( -0.685 -7.118 0.697) 7.185 4.096 ( 0.144 -13.517 0.302) 13.521 4.120 ( 1.044 -1.128 0.476) 1.609 4.252 ( -1.911 -5.782 -0.081) 6.090 4.366 ( -0.314 9.552 -0.587) 9.576 4.513 ( 0.582 18.699 -0.161) 18.708 4.877 ( 0.348 -21.703 -0.007) 21.706 5.258 ( -0.362 19.769 0.248) 19.774 5.809 ( 0.255 0.264 0.082) 0.376 5.858 ( 0.529 4.046 0.168) 4.084 6.203 ( -1.464 -14.170 -1.051) 14.284 6.425 ( 3.177 12.230 1.451) 12.719 6.911 ( -0.046 1.772 0.197) 1.783 6.930 ( 0.040 4.164 0.064) 4.165 7.749 ( -0.383 -6.076 5.677) 8.325 7.796 ( -0.476 -7.759 0.688) 7.804 7.920 ( 0.972 -0.136 -4.787) 4.887 7.955 ( 0.369 1.951 1.096) 2.268 8.055 ( 2.931 1.652 -8.082) 8.754 8.312 ( -3.865 2.898 4.034) 6.294 9.247 ( 0.960 -9.892 3.055) 10.398 9.405 ( -0.726 -1.005 -2.282) 2.597 9.454 ( 0.859 -2.036 1.338) 2.583 9.602 ( -3.252 2.557 -1.227) 4.315 9.691 ( -0.638 0.560 1.114) 1.401 9.798 ( 0.473 2.920 -0.898) 3.092 10.000 ( 2.233 -1.497 1.938) 3.314 10.253 ( -0.832 -11.464 1.434) 11.583 10.386 ( -2.659 2.618 -3.730) 5.276 10.553 ( 1.825 9.673 0.472) 9.855 10.705 ( -6.676 -5.031 -4.950) 9.715 11.156 ( 3.915 6.575 2.326) 7.998 12.658 ( 0.964 -1.057 -0.604) 1.553 12.709 ( -0.757 2.516 0.641) 2.704 12.869 ( -0.227 -13.532 -0.614) 13.548 12.999 ( 1.075 0.665 2.069) 2.425 13.222 ( -7.262 -3.109 -0.983) 7.960 13.295 ( 3.315 6.714 -0.376) 7.497 13.497 ( 3.350 -1.809 -0.471) 3.836 13.618 ( -2.684 4.589 -4.760) 7.136 14.405 ( -0.620 -12.777 -8.622) 15.427 14.586 ( 0.783 10.280 7.736) 12.889 15.002 ( -3.308 -0.047 8.499) 9.120 15.136 ( 0.763 7.030 -2.289) 7.433 15.292 ( 1.404 0.818 1.216) 2.030 15.323 ( 1.650 1.196 -1.873) 2.768 16.359 ( -0.286 -3.150 -0.298) 3.177 16.589 ( 0.244 -4.293 0.647) 4.348 ======================= Grid point 8 (5/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.145 ( 1.641 -0.000 13.364) 13.465 0.201 ( 9.708 -0.000 5.012) 10.925 0.310 ( 15.927 -0.000 2.683) 16.151 0.520 ( 3.141 -0.000 6.227) 6.974 1.223 ( 0.878 -0.000 -0.915) 1.268 1.255 ( -1.564 0.000 1.298) 2.032 1.286 ( 0.872 -0.000 -1.904) 2.095 1.353 ( 0.442 -0.000 -3.631) 3.658 1.454 ( 3.792 -0.000 -3.276) 5.011 1.566 ( 0.345 -0.000 0.283) 0.446 1.668 ( 1.007 -0.000 0.183) 1.023 1.673 ( 1.291 -0.000 0.578) 1.415 1.791 ( 0.446 -0.000 -0.635) 0.776 1.813 ( -1.399 0.000 -0.745) 1.585 1.894 ( 0.570 -0.000 -0.145) 0.588 1.916 ( -3.195 0.000 0.646) 3.259 1.973 ( -5.709 0.000 1.346) 5.865 2.019 ( -2.111 0.000 -1.926) 2.858 2.123 ( -0.536 0.000 0.129) 0.552 2.179 ( 1.564 -0.000 0.260) 1.586 2.371 ( -0.304 0.000 2.410) 2.429 2.388 ( 2.682 -0.000 0.378) 2.709 2.429 ( 2.175 -0.000 -0.380) 2.208 2.520 ( -0.379 0.000 -0.566) 0.681 2.618 ( -0.948 0.000 0.047) 0.949 2.622 ( -2.333 0.000 -2.427) 3.366 2.714 ( 0.524 -0.000 0.102) 0.534 2.761 ( -0.643 0.000 -1.825) 1.935 2.815 ( -3.059 0.000 -2.184) 3.758 2.885 ( -0.596 0.000 -0.175) 0.622 2.970 ( 0.141 -0.000 2.306) 2.310 3.001 ( 1.417 -0.000 -4.129) 4.366 3.021 ( -3.019 0.000 -1.057) 3.199 3.062 ( -1.194 0.000 0.805) 1.440 3.108 ( 0.431 -0.000 0.694) 0.817 3.132 ( 0.835 -0.000 4.675) 4.749 3.245 ( 4.081 -0.000 0.901) 4.180 3.250 ( 1.881 -0.000 -7.962) 8.181 3.320 ( 2.035 -0.000 -2.509) 3.230 3.428 ( 2.245 -0.000 -5.552) 5.989 3.435 ( 2.750 -0.000 -2.533) 3.739 3.514 ( 16.259 -0.000 -24.804) 29.658 3.594 ( 1.239 -0.000 5.626) 5.761 3.799 ( -3.028 0.000 -0.064) 3.029 4.070 ( -1.405 0.000 -0.655) 1.550 4.187 ( -0.945 0.000 -0.829) 1.258 4.254 ( -4.390 0.000 10.937) 11.785 4.678 ( -1.973 0.000 -0.191) 1.982 5.111 ( 0.307 -0.000 0.003) 0.307 5.418 ( 0.011 -0.000 0.297) 0.297 6.005 ( 0.324 -0.000 -3.936) 3.949 6.040 ( 0.322 -0.000 3.133) 3.150 6.153 ( 3.724 -0.000 -7.956) 8.785 7.005 ( 8.409 -0.000 -0.298) 8.415 7.099 ( 0.090 -0.000 0.800) 0.806 7.114 ( -0.956 0.000 0.505) 1.081 7.168 ( 3.154 -0.000 -1.065) 3.329 7.365 ( 2.323 -0.000 -0.678) 2.420 7.468 ( 0.158 -0.000 2.878) 2.882 7.843 ( 0.055 -0.000 -1.803) 1.804 8.143 ( -1.738 0.000 -1.810) 2.509 8.457 ( -18.209 0.000 35.847) 40.206 8.538 ( 1.658 -0.000 1.566) 2.280 9.149 ( -0.504 0.000 1.191) 1.293 9.457 ( -1.007 0.000 0.226) 1.032 9.556 ( -1.486 0.000 -2.383) 2.808 9.600 ( -1.822 0.000 -1.640) 2.452 9.624 ( -0.997 0.000 0.776) 1.264 9.833 ( -0.253 0.000 -0.284) 0.381 10.086 ( -0.678 0.000 1.376) 1.534 10.223 ( 5.031 -0.000 -14.043) 14.917 10.681 ( -3.804 0.000 -2.457) 4.529 11.087 ( 1.329 -0.000 1.095) 1.722 11.555 ( -1.035 0.000 6.075) 6.163 11.999 ( 0.291 -0.000 -0.295) 0.414 12.600 ( -0.349 0.000 -0.362) 0.503 12.673 ( 0.184 -0.000 -0.295) 0.348 12.875 ( -0.255 0.000 1.446) 1.468 13.062 ( -3.748 0.000 -0.494) 3.781 13.447 ( 0.776 -0.000 -0.999) 1.265 13.493 ( 0.738 -0.000 -0.148) 0.752 13.583 ( 29.023 -0.000 -51.887) 59.453 14.170 ( -1.257 0.000 4.314) 4.493 14.661 ( -20.069 0.000 37.738) 42.742 15.230 ( 2.450 -0.000 -2.806) 3.725 15.668 ( -10.993 0.000 2.429) 11.258 15.671 ( -0.844 0.000 -0.330) 0.906 15.736 ( 1.357 -0.000 0.305) 1.391 15.998 ( 7.394 -0.000 -0.296) 7.399 16.051 ( -7.842 0.000 12.190) 14.495 ======================= Grid point 9 (6/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 6.919 -6.974 1.990) 10.023 0.368 ( 8.632 -6.927 3.376) 11.571 0.599 ( 1.895 -5.901 4.000) 7.377 0.634 ( 3.806 -19.921 4.573) 20.790 1.205 ( 2.683 5.773 -1.439) 6.526 1.235 ( -1.935 2.344 1.533) 3.404 1.274 ( -0.339 4.340 -1.683) 4.667 1.341 ( 0.729 -6.024 -1.341) 6.214 1.471 ( 2.067 -2.481 1.519) 3.568 1.607 ( 0.022 -3.106 -0.439) 3.137 1.675 ( 2.293 -1.148 -0.219) 2.574 1.701 ( 1.510 -0.622 0.876) 1.853 1.793 ( -1.849 -0.500 0.778) 2.067 1.823 ( -0.399 -1.160 -0.491) 1.322 1.839 ( 0.432 0.545 -1.156) 1.349 1.929 ( -3.799 -1.072 1.189) 4.122 1.962 ( -2.593 -2.490 -1.020) 3.737 1.982 ( -0.253 0.220 -1.664) 1.697 2.118 ( -1.055 0.970 -0.371) 1.481 2.228 ( -0.190 -3.304 -0.038) 3.310 2.323 ( 2.655 3.475 1.687) 4.687 2.416 ( -1.624 1.591 -0.895) 2.443 2.430 ( 0.120 5.001 0.343) 5.014 2.514 ( 2.332 -1.190 -0.813) 2.742 2.545 ( 0.026 3.611 -0.992) 3.745 2.604 ( -1.859 0.584 1.249) 2.314 2.667 ( 0.252 3.690 -0.447) 3.726 2.731 ( -1.418 1.346 -0.686) 2.072 2.773 ( -2.916 2.779 -1.782) 4.404 2.859 ( -0.831 1.720 -1.376) 2.354 2.927 ( -0.498 5.560 3.239) 6.454 2.957 ( 2.370 1.744 -2.075) 3.600 2.977 ( 1.537 4.181 -2.783) 5.253 3.040 ( -3.030 0.990 1.708) 3.617 3.099 ( 3.383 4.693 -1.926) 6.097 3.141 ( -1.420 -0.522 1.072) 1.854 3.195 ( 5.265 0.507 -0.128) 5.291 3.285 ( 0.057 -0.146 -1.055) 1.066 3.351 ( -0.079 -2.533 -0.413) 2.568 3.425 ( 1.758 0.016 -5.290) 5.574 3.468 ( 1.295 -1.119 -1.742) 2.442 3.508 ( 2.065 -1.461 -1.188) 2.795 3.661 ( 1.892 -3.718 4.558) 6.179 3.849 ( -2.746 -6.563 0.565) 7.137 4.112 ( -2.565 -4.372 -0.401) 5.085 4.215 ( -0.955 -0.716 2.761) 3.008 4.259 ( 0.457 -5.768 0.270) 5.792 4.624 ( -2.255 3.882 -0.315) 4.500 5.038 ( 0.522 8.373 -0.204) 8.392 5.502 ( 0.361 -7.747 0.157) 7.757 5.922 ( -1.330 6.294 -0.605) 6.461 6.027 ( 1.234 3.521 1.768) 4.129 6.058 ( 3.009 7.034 -1.569) 7.810 6.857 ( 6.151 12.681 0.848) 14.120 7.094 ( 1.317 5.746 2.196) 6.291 7.197 ( -0.092 4.938 -0.701) 4.988 7.364 ( 0.865 -11.104 1.010) 11.183 7.524 ( -3.283 -5.742 8.736) 10.958 7.601 ( -1.150 -20.800 -13.737) 24.954 7.876 ( 1.117 -3.989 -2.604) 4.893 8.156 ( 3.713 -0.342 -12.502) 13.047 8.436 ( -11.983 -0.058 12.563) 17.361 8.742 ( -3.857 -12.365 10.661) 16.776 9.224 ( -3.280 -8.976 -2.341) 9.840 9.443 ( -0.216 -0.007 1.109) 1.130 9.554 ( -0.874 -4.514 -0.999) 4.705 9.623 ( -3.392 -2.013 2.265) 4.548 9.754 ( -3.289 -12.683 -1.642) 13.205 9.823 ( -0.226 0.516 -0.754) 0.941 10.107 ( 0.346 -0.434 2.072) 2.145 10.206 ( -3.676 -3.503 -10.981) 12.098 10.624 ( -4.757 1.453 -3.198) 5.914 10.977 ( 2.095 11.658 0.365) 11.850 11.499 ( 3.231 7.487 2.613) 8.563 12.189 ( 0.077 -18.119 0.020) 18.119 12.666 ( 0.517 0.676 -0.824) 1.184 12.748 ( -4.469 -10.393 0.027) 11.313 12.865 ( -2.008 -0.320 1.662) 2.626 13.067 ( -5.104 -3.994 -0.505) 6.501 13.437 ( 0.907 1.431 -1.129) 2.036 13.488 ( 1.864 0.962 -1.510) 2.585 13.633 ( 12.747 -3.989 -31.684) 34.384 14.174 ( -0.948 0.204 5.070) 5.162 14.676 ( -10.353 -1.340 21.403) 23.813 15.207 ( 1.935 3.956 -3.219) 5.455 15.475 ( -5.431 10.268 0.317) 11.620 15.505 ( 1.335 12.606 2.476) 12.916 15.605 ( 2.550 13.985 5.752) 15.335 16.102 ( 2.525 -7.935 -0.512) 8.343 16.218 ( 0.042 -13.777 3.417) 14.194 ======================= Grid point 10 (7/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 3.822 -8.688 1.341) 9.586 0.576 ( 6.720 -8.071 1.949) 10.682 0.714 ( 1.042 -5.592 1.885) 5.993 1.009 ( -1.978 -10.605 0.404) 10.796 1.114 ( 1.406 1.104 0.738) 1.934 1.141 ( -1.929 6.321 -0.971) 6.680 1.181 ( -0.334 2.616 -0.669) 2.720 1.458 ( 1.100 -4.907 0.167) 5.031 1.547 ( -0.139 -5.144 1.931) 5.496 1.625 ( -1.877 -0.279 -1.298) 2.299 1.697 ( 0.935 1.258 1.294) 2.033 1.753 ( 0.778 -1.134 1.164) 1.802 1.790 ( 1.669 -2.505 -0.687) 3.088 1.854 ( -1.190 -3.388 1.231) 3.796 1.908 ( -0.120 -3.776 -3.883) 5.418 1.934 ( -2.957 -0.057 0.070) 2.958 1.985 ( 4.307 -6.897 0.438) 8.143 2.050 ( 1.288 -4.016 -0.480) 4.245 2.081 ( -0.220 1.357 0.478) 1.455 2.206 ( 0.319 5.100 -0.671) 5.153 2.310 ( 0.564 6.960 -0.907) 7.041 2.342 ( -0.728 2.858 0.248) 2.960 2.360 ( 1.773 -2.878 0.233) 3.388 2.461 ( -0.771 3.017 -1.046) 3.285 2.545 ( 0.677 4.841 0.145) 4.890 2.573 ( -1.948 0.937 2.680) 3.443 2.591 ( -2.588 3.245 0.573) 4.190 2.676 ( 0.363 1.935 -2.048) 2.840 2.727 ( -1.493 1.599 -0.061) 2.189 2.809 ( 0.104 2.704 -0.007) 2.706 2.819 ( -2.302 4.433 0.012) 4.995 2.862 ( -0.475 5.101 1.132) 5.247 2.966 ( -1.094 5.124 -0.241) 5.245 2.990 ( 0.482 -1.157 -0.720) 1.446 3.045 ( 3.075 4.316 -1.334) 5.465 3.137 ( -1.244 -0.474 1.548) 2.042 3.190 ( 2.784 4.282 -2.206) 5.564 3.310 ( 0.330 -3.362 -0.378) 3.400 3.342 ( 0.621 0.574 -1.114) 1.399 3.384 ( -0.931 1.585 0.265) 1.857 3.464 ( -0.560 0.752 -2.269) 2.455 3.728 ( 0.756 -16.938 0.606) 16.965 3.783 ( 2.353 -6.628 2.063) 7.329 3.951 ( -2.211 -6.680 1.228) 7.143 4.137 ( -1.811 -1.781 0.120) 2.543 4.209 ( 0.948 1.901 1.071) 2.379 4.489 ( -0.410 -6.427 -0.802) 6.490 4.523 ( -1.495 -5.718 0.099) 5.911 4.829 ( 0.499 15.398 -0.231) 15.408 5.538 ( 0.085 9.326 -0.064) 9.327 5.839 ( -0.415 0.887 -0.268) 1.016 5.960 ( 1.049 5.459 0.902) 5.631 5.997 ( 0.308 -3.258 -0.523) 3.314 6.682 ( 4.748 12.726 1.300) 13.645 6.993 ( 0.469 6.519 1.902) 6.807 7.049 ( 0.573 8.636 -0.837) 8.695 7.606 ( 0.486 -12.851 1.467) 12.943 7.653 ( -1.024 -7.071 6.641) 9.754 7.824 ( -0.586 -9.999 -4.585) 11.015 7.951 ( 2.246 -3.055 -2.644) 4.622 8.090 ( 3.913 3.915 -14.026) 15.078 8.362 ( -7.232 3.791 9.836) 12.783 9.025 ( 0.439 -16.242 6.805) 17.615 9.319 ( -1.957 -5.635 -4.699) 7.594 9.454 ( -0.081 -0.489 1.783) 1.851 9.583 ( -1.216 -0.278 -1.290) 1.795 9.678 ( -4.494 -3.991 2.279) 6.428 9.807 ( -0.762 0.235 -1.638) 1.822 9.981 ( 0.636 -12.505 2.269) 12.725 10.083 ( 0.848 1.324 -0.816) 1.771 10.257 ( -7.122 -9.619 -6.155) 13.458 10.543 ( -5.177 0.121 -3.422) 6.207 10.775 ( 1.890 12.473 -0.051) 12.615 11.380 ( 4.564 10.272 1.424) 11.330 12.547 ( 0.468 -20.627 -0.362) 20.636 12.657 ( 0.900 0.276 -0.604) 1.118 12.766 ( -1.317 3.023 1.269) 3.533 12.948 ( -2.944 -7.401 1.009) 8.029 13.096 ( -5.869 -3.906 -0.216) 7.053 13.399 ( 1.067 3.209 -1.017) 3.531 13.492 ( 2.744 -0.608 -2.269) 3.612 13.621 ( 2.324 0.922 -14.483) 14.698 14.222 ( 0.466 -4.873 0.992) 4.994 14.725 ( -2.486 -1.036 13.453) 13.720 15.073 ( -1.675 9.160 0.220) 9.314 15.252 ( -2.638 9.562 -5.026) 11.120 15.374 ( 4.656 6.069 -1.507) 7.796 15.443 ( 0.299 8.362 7.661) 11.345 16.262 ( 1.261 -7.654 -0.262) 7.762 16.451 ( -0.666 -10.921 1.452) 11.037 ======================= Grid point 11 (8/88) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.471 -9.213 1.013) 9.384 0.750 ( 2.817 -3.663 0.102) 4.622 0.800 ( 0.534 -2.573 0.582) 2.692 0.914 ( -1.291 8.541 -0.297) 8.643 0.997 ( -1.648 4.108 0.120) 4.428 1.062 ( 1.147 4.684 -0.126) 4.824 1.374 ( -1.419 -11.357 -1.171) 11.505 1.527 ( 1.310 -2.477 0.854) 2.929 1.610 ( -0.867 -2.100 -1.520) 2.733 1.661 ( 0.195 -3.521 -0.503) 3.562 1.700 ( -1.220 -2.048 4.270) 4.890 1.735 ( 0.793 2.139 1.041) 2.508 1.835 ( -0.047 2.160 -1.568) 2.670 1.869 ( 1.685 1.297 0.816) 2.278 1.934 ( -1.119 -1.923 -0.821) 2.371 1.997 ( 0.526 -6.157 -0.678) 6.217 2.023 ( -1.489 2.011 -0.643) 2.584 2.085 ( 1.177 4.569 -0.448) 4.740 2.118 ( 0.960 0.001 0.209) 0.982 2.140 ( 3.545 0.389 0.437) 3.593 2.249 ( -0.062 -1.121 -0.101) 1.127 2.318 ( 1.579 1.898 -0.215) 2.478 2.363 ( -1.152 1.348 0.152) 1.780 2.432 ( 0.320 2.814 0.438) 2.866 2.470 ( 1.441 0.924 -0.784) 1.883 2.524 ( -1.969 0.727 0.743) 2.226 2.543 ( -3.164 -0.121 1.211) 3.390 2.664 ( 0.063 1.114 0.336) 1.165 2.688 ( -1.570 -0.302 -0.441) 1.658 2.732 ( -0.040 0.718 -0.383) 0.814 2.793 ( -1.157 1.440 -1.084) 2.142 2.828 ( -0.914 -1.287 1.126) 1.938 2.865 ( 0.836 3.212 -0.453) 3.349 2.951 ( 1.884 7.244 0.021) 7.485 3.024 ( -0.205 -2.400 -0.244) 2.421 3.142 ( 2.041 1.683 -2.376) 3.556 3.149 ( -1.266 -0.656 1.781) 2.281 3.330 ( 0.523 1.842 0.871) 2.103 3.369 ( 0.414 -2.694 -1.305) 3.022 3.388 ( -0.450 -1.782 0.415) 1.884 3.429 ( -1.840 0.061 -0.716) 1.976 3.864 ( 2.418 -1.061 0.248) 2.652 4.037 ( -0.962 -6.665 0.702) 6.771 4.102 ( 0.138 -16.662 0.474) 16.669 4.139 ( 0.897 3.002 0.282) 3.146 4.228 ( -1.111 -7.982 -0.093) 8.059 4.351 ( -0.790 8.696 -0.488) 8.745 4.519 ( 0.292 18.742 -0.105) 18.744 4.881 ( 0.172 -22.001 0.026) 22.002 5.251 ( -0.559 19.929 0.060) 19.937 5.815 ( 0.312 0.569 0.194) 0.677 5.864 ( 0.286 5.088 -0.145) 5.098 6.173 ( -1.206 -12.879 -0.785) 12.959 6.481 ( 2.297 13.975 1.067) 14.203 6.914 ( 0.245 2.479 -0.058) 2.492 6.936 ( 0.293 4.165 0.445) 4.199 7.784 ( -2.012 -3.607 3.826) 5.630 7.801 ( 0.157 -7.047 3.645) 7.936 7.893 ( 2.093 -1.189 -7.347) 7.731 7.961 ( 0.537 2.374 -0.262) 2.448 8.031 ( 0.792 -1.044 -4.276) 4.473 8.307 ( -1.333 1.364 3.931) 4.369 9.292 ( 0.529 -5.905 4.714) 7.575 9.365 ( -0.408 -3.620 -3.834) 5.289 9.489 ( 1.155 -2.847 1.908) 3.617 9.551 ( -1.420 0.760 -2.222) 2.744 9.697 ( 0.010 -0.719 0.754) 1.042 9.766 ( -2.206 1.756 -2.023) 3.471 10.035 ( 0.419 2.663 1.928) 3.314 10.254 ( -0.663 -12.310 1.562) 12.427 10.305 ( -2.962 -3.839 -3.986) 6.277 10.571 ( 0.555 10.177 -0.142) 10.193 10.612 ( -2.377 -11.713 -0.684) 11.971 11.228 ( 3.381 10.651 0.480) 11.185 12.667 ( 0.770 -0.865 -0.360) 1.212 12.700 ( -0.987 2.587 0.351) 2.791 12.880 ( 2.456 -12.784 -0.075) 13.018 13.024 ( -1.159 -2.499 1.378) 3.080 13.098 ( -5.756 -1.923 -0.881) 6.132 13.348 ( 2.908 2.906 -0.020) 4.111 13.505 ( -0.691 1.576 -3.328) 3.747 13.575 ( 1.011 -1.836 -0.827) 2.254 14.355 ( -0.065 -9.610 -2.096) 9.836 14.713 ( 3.487 10.855 12.536) 16.945 14.978 ( -3.607 -2.064 0.859) 4.243 15.061 ( -0.877 5.141 -13.013) 14.019 15.311 ( 1.591 3.262 -0.881) 3.735 15.371 ( -0.208 3.917 6.132) 7.279 16.370 ( 1.333 -2.923 0.434) 3.241 16.584 ( -1.095 -4.053 -0.019) 4.198 ======================= Grid point 12 (9/88) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -1.582 12.335 -0.486) 12.446 0.711 ( -0.211 11.727 0.333) 11.733 0.800 ( 0.165 4.705 -0.310) 4.718 0.947 ( 0.817 -9.238 -0.025) 9.274 1.013 ( -1.402 -4.103 0.312) 4.347 1.076 ( 1.530 -5.882 0.196) 6.081 1.446 ( 0.257 0.912 0.631) 1.138 1.485 ( 0.414 10.659 -0.504) 10.679 1.640 ( 0.199 4.529 0.207) 4.538 1.682 ( 0.019 -0.803 -0.408) 0.901 1.692 ( 1.829 -0.715 0.025) 1.964 1.763 ( 1.469 4.323 -0.113) 4.568 1.790 ( -2.166 0.855 0.364) 2.357 1.850 ( 0.298 -5.032 -0.615) 5.078 1.916 ( -1.636 0.549 0.254) 1.745 1.962 ( -1.352 0.987 0.209) 1.687 2.047 ( -0.629 7.161 0.327) 7.196 2.072 ( 0.591 -2.028 0.101) 2.115 2.117 ( 0.776 1.051 -0.391) 1.364 2.162 ( 3.155 -2.759 1.439) 4.431 2.214 ( -2.454 0.207 0.080) 2.464 2.281 ( 0.145 0.694 -0.642) 0.956 2.375 ( -0.872 -0.372 0.675) 1.164 2.446 ( 1.323 -1.653 -1.147) 2.408 2.454 ( -0.679 -1.870 0.644) 2.091 2.537 ( -0.599 -2.121 0.939) 2.396 2.576 ( 1.516 -2.676 -1.079) 3.259 2.648 ( -2.191 -1.072 -0.701) 2.538 2.716 ( 0.843 -0.980 -0.288) 1.325 2.748 ( 0.797 -1.067 -0.236) 1.352 2.787 ( -0.937 -5.173 0.341) 5.268 2.862 ( 1.182 -0.018 -0.382) 1.243 2.872 ( 0.177 -0.560 0.501) 0.772 2.918 ( -0.538 -6.605 0.312) 6.634 3.058 ( 0.496 -1.052 0.371) 1.221 3.124 ( 0.771 1.511 -0.530) 1.778 3.144 ( -0.785 0.381 0.195) 0.894 3.316 ( 0.017 -0.403 -0.411) 0.576 3.364 ( -0.773 0.768 -0.449) 1.178 3.398 ( 0.517 0.880 0.655) 1.212 3.473 ( -0.176 -3.253 1.263) 3.494 3.830 ( 0.502 6.006 -0.476) 6.046 4.047 ( 0.228 7.931 -0.276) 7.940 4.094 ( -0.065 3.334 0.036) 3.335 4.103 ( -0.450 11.482 -0.370) 11.496 4.282 ( 1.420 5.295 0.069) 5.483 4.368 ( -0.351 -11.082 0.251) 11.091 4.505 ( -0.410 -19.179 0.071) 19.184 4.873 ( -0.166 21.599 0.031) 21.599 5.258 ( -0.078 -19.460 -0.220) 19.461 5.807 ( -0.032 0.286 0.038) 0.291 5.848 ( -0.325 -3.487 -0.214) 3.509 6.228 ( 0.692 15.516 0.525) 15.540 6.374 ( -1.571 -11.130 -0.728) 11.264 6.911 ( 0.135 -1.096 -0.197) 1.121 6.933 ( 0.183 -4.613 0.193) 4.621 7.718 ( 0.001 6.395 -2.142) 6.744 7.799 ( 0.278 10.446 -0.200) 10.452 7.931 ( -1.642 -2.000 1.650) 3.069 7.944 ( 1.156 -1.453 -1.214) 2.218 8.069 ( -1.709 -2.573 3.818) 4.911 8.347 ( 2.404 -5.460 -0.987) 6.047 9.216 ( -0.505 12.179 -1.130) 12.242 9.403 ( -0.445 -1.939 -0.829) 2.155 9.461 ( 0.546 2.942 1.058) 3.174 9.663 ( 2.173 -1.198 1.304) 2.803 9.705 ( 2.825 -3.673 -1.143) 4.772 9.765 ( -3.494 -4.829 -0.384) 5.973 9.951 ( -1.698 5.138 -0.782) 5.468 10.255 ( 0.408 10.066 -0.518) 10.087 10.449 ( 2.157 -6.985 2.900) 7.865 10.507 ( -2.472 -8.163 -2.178) 8.802 10.861 ( 5.038 -10.442 6.019) 13.063 11.075 ( -2.630 4.908 -3.863) 6.777 12.649 ( -0.483 1.376 0.273) 1.483 12.713 ( 0.284 -2.867 -0.274) 2.894 12.880 ( 0.337 15.153 0.199) 15.158 12.975 ( -0.255 0.027 -0.814) 0.854 13.240 ( -1.880 -11.726 0.256) 11.878 13.347 ( 6.191 3.366 0.229) 7.050 13.436 ( -4.641 0.837 0.132) 4.717 13.688 ( 1.532 -8.646 2.265) 9.068 14.447 ( -1.472 4.056 1.568) 4.591 14.649 ( 6.091 0.538 13.614) 14.924 14.887 ( -2.601 -0.079 -20.791) 20.953 15.102 ( -1.705 -7.758 -0.362) 7.951 15.287 ( 0.480 -0.249 0.585) 0.797 15.334 ( -1.118 2.051 3.374) 4.104 16.377 ( 0.937 3.580 0.525) 3.738 16.571 ( -0.788 4.349 -0.615) 4.462 ======================= Grid point 13 (10/88) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 13.947 0.000) 13.947 0.481 ( -0.000 13.738 0.000) 13.738 0.665 ( -0.000 8.767 0.000) 8.767 1.040 ( -0.000 14.109 0.000) 14.109 1.074 ( 0.000 -3.698 -0.000) 3.698 1.194 ( -0.000 3.330 0.000) 3.330 1.200 ( 0.000 -5.542 -0.000) 5.542 1.433 ( -0.000 3.468 0.000) 3.468 1.536 ( -0.000 5.673 0.000) 5.673 1.666 ( -0.000 3.194 0.000) 3.194 1.685 ( -0.000 0.248 0.000) 0.248 1.712 ( -0.000 5.260 0.000) 5.260 1.781 ( 0.000 -3.530 -0.000) 3.530 1.868 ( -0.000 4.256 0.000) 4.256 1.895 ( -0.000 6.357 0.000) 6.357 1.943 ( 0.000 -4.122 -0.000) 4.122 2.022 ( 0.000 -3.643 -0.000) 3.643 2.023 ( -0.000 4.497 0.000) 4.497 2.116 ( 0.000 -1.873 -0.000) 1.873 2.219 ( 0.000 -1.564 -0.000) 1.564 2.260 ( -0.000 1.653 0.000) 1.653 2.317 ( 0.000 -9.077 -0.000) 9.077 2.390 ( 0.000 -2.902 -0.000) 2.902 2.469 ( 0.000 -1.721 -0.000) 1.721 2.509 ( 0.000 -0.948 -0.000) 0.948 2.587 ( 0.000 -3.740 -0.000) 3.740 2.615 ( 0.000 -1.036 -0.000) 1.036 2.668 ( 0.000 -2.109 -0.000) 2.109 2.725 ( 0.000 -2.132 -0.000) 2.132 2.831 ( 0.000 -5.407 -0.000) 5.407 2.853 ( 0.000 -1.225 -0.000) 1.225 2.903 ( 0.000 -6.217 -0.000) 6.217 2.955 ( 0.000 -6.304 -0.000) 6.304 2.986 ( -0.000 0.616 0.000) 0.616 3.078 ( 0.000 -0.240 -0.000) 0.240 3.108 ( 0.000 -0.964 -0.000) 0.964 3.143 ( 0.000 -0.539 -0.000) 0.539 3.343 ( 0.000 -2.038 -0.000) 2.038 3.353 ( -0.000 0.205 0.000) 0.205 3.392 ( 0.000 -1.046 -0.000) 1.046 3.503 ( -0.000 0.468 0.000) 0.468 3.693 ( -0.000 9.427 0.000) 9.427 3.732 ( -0.000 17.165 0.000) 17.165 3.969 ( -0.000 5.271 0.000) 5.271 4.136 ( 0.000 -2.428 -0.000) 2.428 4.230 ( -0.000 2.806 0.000) 2.806 4.514 ( -0.000 18.035 0.000) 18.035 4.544 ( 0.000 -8.351 -0.000) 8.351 4.818 ( 0.000 -15.446 -0.000) 15.446 5.520 ( 0.000 -8.017 -0.000) 8.017 5.852 ( 0.000 -4.679 -0.000) 4.679 5.924 ( 0.000 -4.714 -0.000) 4.714 5.990 ( -0.000 8.592 0.000) 8.592 6.560 ( 0.000 -11.163 -0.000) 11.163 6.968 ( 0.000 -4.929 -0.000) 4.929 7.067 ( 0.000 -9.507 -0.000) 9.507 7.564 ( -0.000 14.522 0.000) 14.522 7.596 ( -0.000 6.479 0.000) 6.479 7.927 ( -0.000 1.979 0.000) 1.979 7.928 ( -0.000 3.283 0.000) 3.283 8.111 ( 0.000 -2.161 -0.000) 2.161 8.530 ( 0.000 -13.309 -0.000) 13.309 8.934 ( -0.000 17.367 0.000) 17.367 9.422 ( -0.000 2.487 0.000) 2.487 9.429 ( 0.000 -0.946 -0.000) 0.946 9.632 ( -0.000 2.530 0.000) 2.530 9.785 ( 0.000 -2.085 -0.000) 2.085 9.803 ( -0.000 3.917 0.000) 3.917 9.867 ( -0.000 2.633 0.000) 2.633 10.077 ( -0.000 5.461 0.000) 5.461 10.546 ( 0.000 -2.558 -0.000) 2.558 10.703 ( 0.000 -13.251 -0.000) 13.251 10.873 ( -0.000 8.564 0.000) 8.564 11.177 ( 0.000 -13.677 -0.000) 13.677 12.542 ( -0.000 19.929 0.000) 19.929 12.651 ( -0.000 0.402 0.000) 0.402 12.773 ( 0.000 -3.482 -0.000) 3.482 12.967 ( -0.000 0.476 0.000) 0.476 13.261 ( -0.000 7.121 0.000) 7.121 13.380 ( 0.000 -4.691 -0.000) 4.691 13.441 ( 0.000 -1.881 -0.000) 1.881 13.900 ( 0.000 -12.183 -0.000) 12.183 14.290 ( -0.000 10.870 0.000) 10.870 14.692 ( -0.000 3.317 0.000) 3.317 14.946 ( 0.000 -11.945 -0.000) 11.945 15.189 ( 0.000 -2.667 -0.000) 2.667 15.331 ( 0.000 -3.100 -0.000) 3.100 15.367 ( 0.000 -8.488 -0.000) 8.488 16.262 ( -0.000 9.716 0.000) 9.716 16.424 ( -0.000 11.333 0.000) 11.333 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 1.352 -0.000 9.703) 9.796 0.374 ( 7.799 -0.000 2.917) 8.326 0.477 ( 3.856 -0.000 1.331) 4.079 0.691 ( 9.640 -0.000 7.526) 12.230 1.230 ( 1.491 -0.000 -2.036) 2.524 1.242 ( -1.648 0.000 1.827) 2.460 1.279 ( 0.375 -0.000 -2.000) 2.035 1.333 ( 0.340 -0.000 -2.309) 2.334 1.483 ( 1.547 -0.000 -0.020) 1.547 1.574 ( 0.332 -0.000 0.250) 0.415 1.694 ( 2.395 -0.000 -0.289) 2.412 1.704 ( 1.714 -0.000 0.751) 1.871 1.785 ( -1.789 0.000 0.056) 1.790 1.797 ( 0.941 -0.000 -0.655) 1.146 1.864 ( -3.900 0.000 1.084) 4.048 1.885 ( -1.646 0.000 -0.464) 1.710 1.903 ( -3.412 0.000 0.330) 3.428 1.968 ( -2.093 0.000 -1.382) 2.508 2.120 ( -0.057 0.000 -0.057) 0.080 2.181 ( -1.241 0.000 -0.371) 1.295 2.402 ( 1.382 -0.000 3.296) 3.574 2.419 ( 1.003 -0.000 0.343) 1.060 2.481 ( 4.572 -0.000 -0.744) 4.633 2.513 ( 0.285 -0.000 -0.678) 0.736 2.567 ( -1.948 0.000 -2.043) 2.823 2.600 ( -1.292 0.000 -0.115) 1.298 2.700 ( -2.013 0.000 -0.627) 2.108 2.717 ( -5.810 0.000 -2.397) 6.285 2.734 ( -0.525 0.000 -3.428) 3.468 2.876 ( -0.616 0.000 0.076) 0.621 2.971 ( -1.743 0.000 -0.682) 1.871 2.993 ( -0.191 0.000 2.451) 2.459 3.009 ( 2.626 -0.000 -2.266) 3.469 3.053 ( -0.954 0.000 0.781) 1.233 3.117 ( -0.451 0.000 0.699) 0.832 3.150 ( 0.020 -0.000 -1.069) 1.069 3.252 ( 2.125 -0.000 0.641) 2.219 3.319 ( 4.112 -0.000 0.837) 4.196 3.320 ( -0.103 0.000 -0.829) 0.836 3.423 ( 1.881 -0.000 -3.081) 3.610 3.469 ( 3.739 -0.000 -2.074) 4.275 3.562 ( 8.078 -0.000 -9.393) 12.389 3.663 ( 0.773 -0.000 5.720) 5.772 3.742 ( -3.933 0.000 0.075) 3.934 4.035 ( -2.029 0.000 -0.886) 2.214 4.161 ( -1.106 0.000 -1.003) 1.493 4.279 ( -0.757 0.000 4.197) 4.265 4.638 ( -2.572 0.000 -0.173) 2.578 5.116 ( 0.468 -0.000 -0.283) 0.547 5.421 ( -0.027 0.000 0.335) 0.336 5.971 ( -1.329 0.000 -1.556) 2.047 6.077 ( 1.065 -0.000 2.535) 2.749 6.150 ( 2.071 -0.000 -3.550) 4.110 7.094 ( -1.261 0.000 0.526) 1.367 7.119 ( 0.406 -0.000 1.314) 1.376 7.143 ( 9.825 -0.000 -3.195) 10.332 7.217 ( 0.102 -0.000 5.780) 5.781 7.413 ( 4.177 -0.000 -0.232) 4.184 7.501 ( 0.140 -0.000 3.826) 3.828 7.824 ( -0.054 0.000 -2.486) 2.487 8.094 ( -1.964 0.000 -2.315) 3.036 8.480 ( -5.872 0.000 14.023) 15.203 8.584 ( 1.895 -0.000 1.981) 2.742 9.151 ( -0.595 0.000 1.345) 1.471 9.439 ( -1.419 0.000 0.236) 1.439 9.504 ( -1.798 0.000 -3.108) 3.590 9.545 ( -2.752 0.000 -2.103) 3.464 9.617 ( -0.717 0.000 1.020) 1.247 9.825 ( -0.326 0.000 -0.380) 0.501 10.075 ( -1.944 0.000 0.161) 1.951 10.184 ( 0.389 -0.000 -4.207) 4.225 10.594 ( -3.745 0.000 -2.902) 4.737 11.118 ( 1.458 -0.000 0.668) 1.604 11.593 ( 1.530 -0.000 1.342) 2.035 12.003 ( 0.495 -0.000 -0.284) 0.570 12.591 ( -0.386 0.000 -0.431) 0.579 12.673 ( 0.175 -0.000 -0.308) 0.354 12.884 ( -0.421 0.000 1.647) 1.700 12.989 ( -4.462 0.000 -0.562) 4.497 13.451 ( 0.823 -0.000 -1.021) 1.312 13.506 ( 0.953 -0.000 -0.156) 0.966 13.602 ( 13.206 -0.000 -22.334) 25.946 14.193 ( -1.545 0.000 5.922) 6.121 14.661 ( -7.636 0.000 13.470) 15.484 15.251 ( 3.694 -0.000 -3.731) 5.251 15.531 ( -9.066 0.000 3.359) 9.668 15.654 ( -0.888 0.000 -0.482) 1.010 15.763 ( 1.509 -0.000 0.440) 1.572 16.025 ( -4.172 0.000 4.313) 6.000 16.090 ( 4.126 -0.000 0.265) 4.135 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 4.997 -3.701 1.252) 6.343 0.486 ( 2.555 -10.169 3.488) 11.050 0.637 ( -0.222 -15.307 3.255) 15.651 0.753 ( 5.777 0.433 2.114) 6.167 1.214 ( 0.347 3.190 -1.800) 3.679 1.228 ( -0.702 3.384 2.150) 4.070 1.261 ( 0.092 5.511 -1.115) 5.623 1.342 ( 0.619 -7.065 -0.923) 7.152 1.507 ( 1.005 -1.725 1.342) 2.405 1.596 ( -0.525 -1.349 -0.964) 1.739 1.719 ( 3.317 -1.639 -0.108) 3.701 1.734 ( 1.691 -0.696 0.547) 1.909 1.777 ( -1.283 -1.282 1.531) 2.374 1.796 ( -1.384 0.867 -0.536) 1.718 1.846 ( -0.174 -1.971 -1.310) 2.373 1.890 ( -1.586 -2.652 1.509) 3.439 1.916 ( -1.709 -2.460 -1.273) 3.254 1.976 ( -0.009 -3.574 -0.486) 3.607 2.106 ( -0.328 1.387 -0.173) 1.435 2.205 ( -1.800 -3.330 -0.524) 3.822 2.383 ( 0.780 3.963 1.334) 4.254 2.392 ( 1.718 3.168 0.129) 3.606 2.443 ( 1.203 6.099 -0.186) 6.219 2.512 ( -1.334 2.837 -1.361) 3.417 2.561 ( 2.242 -2.102 0.525) 3.118 2.583 ( -2.570 1.007 0.754) 2.862 2.660 ( -1.806 2.883 0.303) 3.416 2.682 ( -1.567 -0.061 -3.284) 3.639 2.703 ( -2.345 -0.496 -1.692) 2.934 2.833 ( -1.179 3.132 -0.562) 3.394 2.929 ( -1.042 3.759 0.226) 3.907 2.976 ( 0.171 4.769 -1.264) 4.936 2.980 ( 0.884 3.277 1.590) 3.749 3.018 ( -0.368 0.563 1.599) 1.734 3.117 ( -0.392 1.553 -1.659) 2.306 3.155 ( 1.926 0.690 0.246) 2.061 3.274 ( 5.217 2.298 -0.869) 5.766 3.291 ( 0.782 1.925 0.108) 2.080 3.355 ( 0.611 -2.763 0.055) 2.830 3.414 ( 1.286 2.587 -3.020) 4.180 3.476 ( 1.130 1.109 -1.088) 1.921 3.523 ( 0.394 -1.038 -0.188) 1.126 3.720 ( 1.745 -4.231 2.475) 5.203 3.805 ( -3.522 -7.413 1.047) 8.274 4.074 ( -1.677 -4.047 -0.261) 4.388 4.216 ( 0.094 -8.221 -0.093) 8.222 4.276 ( 0.165 0.240 1.319) 1.351 4.587 ( -1.959 3.613 -0.194) 4.115 5.044 ( 0.375 8.341 -0.249) 8.353 5.507 ( 0.185 -8.056 0.057) 8.058 5.894 ( -1.356 6.176 -0.290) 6.330 6.059 ( 0.899 4.101 1.649) 4.511 6.080 ( 1.585 6.543 -1.675) 6.937 6.950 ( 4.044 12.523 0.820) 13.185 7.139 ( 2.015 6.562 1.759) 7.087 7.199 ( 0.818 6.272 -0.699) 6.363 7.342 ( -2.874 -17.164 -0.729) 17.418 7.549 ( -3.489 -9.482 11.833) 15.560 7.574 ( 6.214 -9.248 -9.263) 14.489 7.871 ( 1.026 -5.378 -2.355) 5.960 8.095 ( -0.448 -0.668 -5.737) 5.793 8.422 ( -2.820 4.093 7.356) 8.878 8.777 ( -0.881 -14.273 5.628) 15.367 9.166 ( -1.551 -4.497 -2.468) 5.359 9.449 ( 0.056 -1.099 1.149) 1.591 9.525 ( -2.403 -4.651 -0.422) 5.251 9.583 ( -2.284 -1.325 -0.470) 2.682 9.702 ( -1.120 -13.869 -1.306) 13.975 9.814 ( -0.249 0.833 -0.461) 0.984 10.084 ( -2.557 -3.364 -1.702) 4.555 10.147 ( 0.568 2.736 -0.513) 2.841 10.535 ( -3.131 2.385 -2.497) 4.661 11.007 ( 1.277 11.538 0.248) 11.611 11.555 ( 2.196 5.736 0.470) 6.160 12.191 ( 0.194 -17.970 -0.119) 17.971 12.667 ( 0.739 0.131 -0.977) 1.232 12.702 ( -2.067 -10.330 0.365) 10.541 12.850 ( -1.350 2.492 0.805) 2.946 12.993 ( -3.468 -3.208 -0.146) 4.727 13.440 ( 0.603 1.447 -0.822) 1.770 13.503 ( 1.447 0.663 -1.244) 2.020 13.611 ( 6.950 0.315 -12.847) 14.610 14.203 ( -0.754 -0.134 4.660) 4.723 14.686 ( -4.139 -3.250 7.907) 9.498 15.215 ( 1.970 5.609 -2.302) 6.375 15.397 ( -3.962 9.125 0.068) 9.948 15.544 ( 1.728 8.755 0.762) 8.957 15.635 ( -1.711 11.130 2.912) 11.631 16.122 ( 0.839 -8.701 -0.662) 8.766 16.243 ( 0.040 -11.680 2.010) 11.852 ======================= Grid point 18 (13/88) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 1.575 -7.135 0.385) 7.317 0.671 ( 2.326 -7.923 1.263) 8.353 0.748 ( 1.505 -1.432 1.222) 2.410 0.980 ( -1.312 -11.083 -0.427) 11.168 1.109 ( -1.142 7.692 0.142) 7.778 1.142 ( 1.359 0.458 -0.063) 1.435 1.169 ( -0.546 4.309 -0.395) 4.361 1.476 ( 0.791 -5.948 0.281) 6.007 1.561 ( -0.039 -4.155 1.473) 4.409 1.588 ( -1.145 0.473 -1.192) 1.719 1.727 ( 1.113 1.411 0.942) 2.029 1.762 ( -0.215 0.792 0.134) 0.831 1.822 ( 2.726 -4.218 -0.671) 5.066 1.857 ( -0.432 -3.072 1.945) 3.662 1.872 ( -1.124 -4.807 -0.956) 5.028 1.890 ( -1.983 -1.460 -1.203) 2.741 2.029 ( 0.587 -1.789 -0.256) 1.900 2.076 ( 2.797 -8.951 -0.572) 9.396 2.090 ( -0.096 -2.225 0.947) 2.420 2.211 ( 0.631 3.773 -0.013) 3.826 2.279 ( -1.669 5.779 -1.407) 6.178 2.356 ( 1.335 3.734 0.760) 4.038 2.403 ( 1.698 -2.598 0.314) 3.120 2.435 ( -0.855 4.205 -0.388) 4.308 2.528 ( -3.286 1.764 0.154) 3.732 2.560 ( 0.391 6.521 -0.364) 6.542 2.571 ( -1.195 2.926 1.636) 3.558 2.676 ( 1.851 -0.519 -2.783) 3.383 2.689 ( -2.378 1.011 0.881) 2.730 2.778 ( -1.302 2.246 -0.229) 2.606 2.836 ( 1.117 5.548 0.703) 5.703 2.857 ( -0.936 5.368 0.262) 5.455 2.953 ( -0.176 4.709 0.029) 4.712 2.993 ( 0.212 -0.371 0.027) 0.428 3.077 ( 1.223 3.154 -0.847) 3.487 3.146 ( 0.521 1.202 2.104) 2.479 3.196 ( 0.664 5.611 -2.457) 6.162 3.322 ( 1.758 -2.091 -0.907) 2.879 3.344 ( -0.826 -0.335 -0.154) 0.905 3.377 ( 0.392 0.457 1.163) 1.310 3.431 ( -1.649 2.703 -1.125) 3.360 3.739 ( 0.223 -18.083 0.261) 18.087 3.836 ( 2.546 -4.642 0.281) 5.302 3.921 ( -2.370 -8.463 0.959) 8.841 4.119 ( -0.549 -2.961 -0.027) 3.012 4.230 ( 0.576 3.620 0.517) 3.701 4.479 ( -0.116 4.185 -0.482) 4.214 4.504 ( -0.881 -17.465 0.210) 17.488 4.833 ( 0.198 15.402 -0.125) 15.404 5.536 ( -0.110 10.047 -0.084) 10.048 5.833 ( -0.163 -1.153 -0.087) 1.167 5.978 ( 0.428 6.258 0.445) 6.288 5.997 ( 0.106 -1.511 -0.355) 1.556 6.746 ( 1.952 13.590 0.542) 13.740 7.012 ( 0.322 7.771 0.739) 7.812 7.056 ( 0.480 8.385 -0.104) 8.399 7.605 ( -0.623 -13.427 -0.089) 13.442 7.688 ( -0.696 -7.575 4.103) 8.643 7.803 ( 1.220 -10.268 -2.529) 10.645 7.964 ( 1.623 -3.395 -1.562) 4.074 8.034 ( -0.205 3.602 -4.388) 5.681 8.359 ( -1.517 3.609 3.732) 5.409 9.084 ( 0.414 -17.144 4.334) 17.688 9.263 ( -0.480 -7.156 -3.447) 7.957 9.458 ( -0.553 0.096 0.599) 0.821 9.563 ( -0.505 1.103 -0.087) 1.216 9.621 ( -2.491 -7.156 -0.797) 7.619 9.785 ( -0.381 1.950 -0.586) 2.071 9.991 ( -0.160 -17.189 0.238) 17.192 10.099 ( 0.850 1.849 2.134) 2.949 10.154 ( -2.449 -5.993 -2.934) 7.108 10.468 ( -1.836 -0.076 -1.207) 2.198 10.795 ( 0.682 12.749 -0.100) 12.768 11.437 ( 1.798 9.419 0.196) 9.591 12.553 ( 0.489 -21.129 -0.279) 21.137 12.667 ( 0.510 -0.582 0.027) 0.774 12.755 ( -0.759 3.381 0.483) 3.498 12.903 ( -2.076 -7.672 -0.366) 7.956 13.037 ( -1.881 -4.577 0.330) 4.959 13.403 ( 0.351 2.739 -0.521) 2.810 13.507 ( 1.256 -0.440 -1.573) 2.061 13.581 ( 1.426 2.235 -3.810) 4.642 14.242 ( 0.188 -3.445 1.535) 3.776 14.777 ( -0.850 -6.033 4.351) 7.487 15.075 ( 0.297 10.327 3.032) 10.767 15.168 ( -1.402 12.270 -6.058) 13.756 15.423 ( 3.642 8.026 -2.744) 9.231 15.472 ( -2.787 5.675 5.303) 8.252 16.283 ( 1.061 -7.848 -0.045) 7.920 16.445 ( -0.831 -10.111 0.529) 10.159 ======================= Grid point 19 (14/88) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 -9.234 -0.000) 9.234 0.767 ( -0.000 1.628 0.000) 1.628 0.820 ( 0.000 -5.483 -0.000) 5.483 0.897 ( -0.000 9.418 0.000) 9.418 0.986 ( -0.000 3.624 0.000) 3.624 1.071 ( -0.000 4.405 0.000) 4.405 1.357 ( 0.000 -11.494 -0.000) 11.494 1.546 ( 0.000 -1.854 -0.000) 1.854 1.590 ( 0.000 -3.473 -0.000) 3.473 1.661 ( 0.000 -4.538 -0.000) 4.538 1.712 ( -0.000 1.818 0.000) 1.818 1.755 ( 0.000 -2.092 -0.000) 2.092 1.818 ( -0.000 3.979 0.000) 3.979 1.894 ( -0.000 0.477 0.000) 0.477 1.919 ( 0.000 -1.390 -0.000) 1.390 1.997 ( 0.000 -6.806 -0.000) 6.806 2.003 ( -0.000 2.772 0.000) 2.772 2.096 ( -0.000 5.569 0.000) 5.569 2.123 ( -0.000 0.839 0.000) 0.839 2.186 ( -0.000 1.759 0.000) 1.759 2.240 ( 0.000 -2.692 -0.000) 2.692 2.337 ( 0.000 -1.148 -0.000) 1.148 2.347 ( -0.000 5.861 0.000) 5.861 2.444 ( -0.000 1.965 0.000) 1.965 2.488 ( -0.000 3.614 0.000) 3.614 2.502 ( 0.000 -4.880 -0.000) 4.880 2.509 ( -0.000 0.527 0.000) 0.527 2.671 ( 0.000 -1.003 -0.000) 1.003 2.683 ( -0.000 5.341 0.000) 5.341 2.710 ( 0.000 -2.787 -0.000) 2.787 2.792 ( -0.000 2.043 0.000) 2.043 2.817 ( 0.000 -1.833 -0.000) 1.833 2.870 ( -0.000 2.853 0.000) 2.853 2.970 ( -0.000 7.572 0.000) 7.572 3.023 ( 0.000 -2.278 -0.000) 2.278 3.144 ( -0.000 0.118 0.000) 0.118 3.150 ( -0.000 0.421 0.000) 0.421 3.349 ( -0.000 3.588 0.000) 3.588 3.361 ( 0.000 -1.213 -0.000) 1.213 3.385 ( 0.000 -2.461 -0.000) 2.461 3.406 ( 0.000 -2.949 -0.000) 2.949 3.889 ( 0.000 -0.068 -0.000) 0.068 4.031 ( 0.000 -6.752 -0.000) 6.752 4.106 ( 0.000 -17.850 -0.000) 17.850 4.149 ( -0.000 5.495 0.000) 5.495 4.218 ( 0.000 -10.196 -0.000) 10.196 4.341 ( -0.000 8.731 0.000) 8.731 4.521 ( -0.000 18.895 0.000) 18.895 4.883 ( 0.000 -22.169 -0.000) 22.169 5.247 ( -0.000 19.998 0.000) 19.998 5.819 ( -0.000 0.547 0.000) 0.547 5.866 ( -0.000 5.691 0.000) 5.691 6.159 ( 0.000 -12.294 -0.000) 12.294 6.505 ( -0.000 14.733 0.000) 14.733 6.916 ( -0.000 2.642 0.000) 2.642 6.941 ( -0.000 4.374 0.000) 4.374 7.777 ( 0.000 -3.561 -0.000) 3.561 7.830 ( 0.000 -6.661 -0.000) 6.661 7.869 ( 0.000 -0.619 -0.000) 0.619 7.970 ( -0.000 3.521 0.000) 3.521 8.015 ( 0.000 -3.228 -0.000) 3.228 8.317 ( -0.000 0.909 0.000) 0.909 9.326 ( -0.000 0.297 0.000) 0.297 9.340 ( 0.000 -7.160 -0.000) 7.160 9.510 ( 0.000 -9.179 -0.000) 9.179 9.526 ( -0.000 3.214 0.000) 3.214 9.694 ( 0.000 -2.591 -0.000) 2.591 9.738 ( -0.000 2.811 0.000) 2.811 10.049 ( -0.000 5.409 0.000) 5.409 10.256 ( 0.000 -6.859 -0.000) 6.859 10.257 ( 0.000 -12.838 -0.000) 12.838 10.577 ( -0.000 11.702 0.000) 11.702 10.593 ( 0.000 -14.940 -0.000) 14.940 11.258 ( -0.000 11.475 0.000) 11.475 12.674 ( 0.000 -1.492 -0.000) 1.492 12.690 ( -0.000 3.217 0.000) 3.217 12.939 ( 0.000 -19.869 -0.000) 19.869 12.959 ( 0.000 -1.355 -0.000) 1.355 13.070 ( -0.000 3.740 0.000) 3.740 13.373 ( 0.000 -0.416 -0.000) 0.416 13.478 ( -0.000 4.099 0.000) 4.099 13.586 ( 0.000 -3.666 -0.000) 3.666 14.349 ( 0.000 -8.031 -0.000) 8.031 14.871 ( -0.000 2.029 0.000) 2.029 14.893 ( -0.000 13.253 0.000) 13.253 14.975 ( 0.000 -1.840 -0.000) 1.840 15.323 ( -0.000 3.845 0.000) 3.845 15.395 ( -0.000 3.961 0.000) 3.961 16.388 ( 0.000 -2.981 -0.000) 2.981 16.570 ( 0.000 -3.857 -0.000) 3.857 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 0.542 -0.000 3.626) 3.666 0.479 ( 4.006 -0.000 -0.369) 4.023 0.507 ( -0.926 0.000 2.194) 2.382 0.858 ( 4.629 -0.000 2.809) 5.415 1.234 ( 0.500 -0.000 -0.871) 1.004 1.237 ( -0.269 0.000 0.490) 0.559 1.268 ( -0.141 0.000 -0.741) 0.754 1.325 ( 0.103 -0.000 -0.694) 0.701 1.499 ( 0.464 -0.000 0.070) 0.469 1.578 ( 0.086 -0.000 0.072) 0.112 1.731 ( 0.833 -0.000 0.384) 0.917 1.734 ( 3.288 -0.000 -1.512) 3.619 1.760 ( -2.209 0.000 1.701) 2.788 1.807 ( 0.892 -0.000 -0.464) 1.005 1.825 ( -1.968 0.000 0.781) 2.117 1.856 ( -1.420 0.000 -1.630) 2.161 1.868 ( -1.100 0.000 1.433) 1.807 1.936 ( -0.893 0.000 -0.649) 1.104 2.117 ( -0.110 0.000 -0.151) 0.187 2.154 ( -1.120 0.000 -0.329) 1.167 2.431 ( 0.264 -0.000 0.112) 0.287 2.468 ( 3.152 -0.000 3.803) 4.939 2.515 ( 0.476 -0.000 -0.837) 0.963 2.535 ( -0.698 0.000 -0.679) 0.974 2.541 ( 3.225 -0.000 -0.550) 3.271 2.567 ( -3.571 0.000 -0.855) 3.672 2.613 ( -2.137 0.000 -2.944) 3.638 2.654 ( -2.562 0.000 -0.211) 2.570 2.710 ( -0.499 0.000 -0.558) 0.749 2.867 ( -0.390 0.000 0.034) 0.391 2.956 ( -0.117 0.000 -0.171) 0.207 2.999 ( -0.508 0.000 0.851) 0.991 3.029 ( 1.312 -0.000 -0.856) 1.566 3.046 ( -0.469 0.000 0.308) 0.561 3.108 ( -0.381 0.000 -0.158) 0.412 3.148 ( 0.148 -0.000 -0.009) 0.148 3.290 ( 1.351 -0.000 0.813) 1.577 3.308 ( -0.447 0.000 -0.649) 0.787 3.374 ( 1.889 -0.000 0.350) 1.921 3.431 ( 0.914 -0.000 -0.806) 1.218 3.504 ( 1.869 -0.000 -0.788) 2.029 3.600 ( 3.046 -0.000 -2.833) 4.160 3.691 ( -2.192 0.000 0.162) 2.198 3.703 ( -0.030 0.000 2.351) 2.351 4.002 ( -1.075 0.000 -0.437) 1.161 4.142 ( -0.412 0.000 -0.413) 0.583 4.296 ( -0.073 0.000 1.182) 1.184 4.605 ( -1.190 0.000 -0.049) 1.191 5.120 ( 0.200 -0.000 -0.153) 0.252 5.422 ( -0.024 0.000 0.138) 0.140 5.947 ( -0.675 0.000 -0.347) 0.758 6.107 ( 0.426 -0.000 1.241) 1.312 6.153 ( 0.922 -0.000 -1.464) 1.730 7.082 ( -0.580 0.000 0.227) 0.623 7.135 ( 0.290 -0.000 0.690) 0.749 7.233 ( 5.401 -0.000 -4.241) 6.867 7.252 ( -1.817 0.000 5.292) 5.596 7.473 ( 2.441 -0.000 0.394) 2.473 7.528 ( 0.047 -0.000 1.813) 1.814 7.806 ( -0.084 0.000 -1.207) 1.209 8.055 ( -0.835 0.000 -1.106) 1.386 8.502 ( -1.386 0.000 4.158) 4.383 8.620 ( 0.826 -0.000 0.933) 1.246 9.153 ( -0.195 0.000 0.538) 0.572 9.420 ( -0.811 0.000 -0.116) 0.819 9.464 ( -0.668 0.000 -1.244) 1.412 9.495 ( -1.443 0.000 -0.991) 1.750 9.618 ( -0.131 0.000 0.592) 0.607 9.819 ( -0.148 0.000 -0.178) 0.231 10.040 ( -1.360 0.000 -0.674) 1.517 10.169 ( -0.007 0.000 -0.496) 0.496 10.534 ( -1.438 0.000 -1.237) 1.897 11.139 ( 0.556 -0.000 0.291) 0.627 11.618 ( 0.796 -0.000 0.091) 0.801 12.008 ( 0.267 -0.000 -0.096) 0.284 12.583 ( -0.165 0.000 -0.190) 0.252 12.673 ( 0.069 -0.000 -0.118) 0.137 12.889 ( -0.225 0.000 0.683) 0.719 12.932 ( -1.920 0.000 -0.224) 1.933 13.454 ( 0.324 -0.000 -0.413) 0.525 13.517 ( 0.436 -0.000 -0.059) 0.440 13.616 ( 4.261 -0.000 -7.016) 8.208 14.215 ( -0.652 0.000 2.883) 2.956 14.652 ( -2.263 0.000 3.318) 4.017 15.274 ( 2.054 -0.000 -1.981) 2.854 15.453 ( -3.703 0.000 1.984) 4.201 15.640 ( -0.379 0.000 -0.231) 0.444 15.784 ( 0.649 -0.000 0.209) 0.682 16.001 ( -1.603 0.000 1.241) 2.027 16.132 ( 1.280 -0.000 0.045) 1.281 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.000 -2.490 -0.000) 2.490 0.517 ( 0.000 -10.623 -0.000) 10.623 0.649 ( 0.000 -17.441 -0.000) 17.441 0.812 ( -0.000 5.484 0.000) 5.484 1.208 ( -0.000 3.631 0.000) 3.631 1.233 ( -0.000 1.904 0.000) 1.904 1.257 ( -0.000 6.651 0.000) 6.651 1.344 ( 0.000 -7.720 -0.000) 7.720 1.522 ( 0.000 -2.039 -0.000) 2.039 1.585 ( 0.000 -0.176 -0.000) 0.176 1.749 ( 0.000 -1.692 -0.000) 1.692 1.762 ( -0.000 1.272 0.000) 1.272 1.770 ( 0.000 -3.179 -0.000) 3.179 1.785 ( 0.000 -2.007 -0.000) 2.007 1.826 ( -0.000 1.050 0.000) 1.050 1.874 ( 0.000 -0.817 -0.000) 0.817 1.911 ( 0.000 -7.300 -0.000) 7.300 1.971 ( 0.000 -4.058 -0.000) 4.058 2.103 ( -0.000 1.427 0.000) 1.427 2.186 ( 0.000 -3.604 -0.000) 3.604 2.377 ( -0.000 5.261 0.000) 5.261 2.445 ( -0.000 4.962 0.000) 4.962 2.454 ( -0.000 4.974 0.000) 4.974 2.487 ( -0.000 2.122 0.000) 2.122 2.543 ( -0.000 1.075 0.000) 1.075 2.593 ( -0.000 0.011 0.000) 0.011 2.625 ( 0.000 -2.213 -0.000) 2.213 2.670 ( 0.000 -1.948 -0.000) 1.948 2.676 ( -0.000 2.641 0.000) 2.641 2.820 ( -0.000 3.515 0.000) 3.515 2.920 ( -0.000 3.609 0.000) 3.609 2.969 ( -0.000 4.668 0.000) 4.668 2.995 ( -0.000 1.994 0.000) 1.994 3.035 ( -0.000 2.418 0.000) 2.418 3.097 ( -0.000 0.897 0.000) 0.897 3.170 ( 0.000 -1.196 -0.000) 1.196 3.298 ( -0.000 1.707 0.000) 1.707 3.323 ( -0.000 4.004 0.000) 4.004 3.357 ( 0.000 -3.796 -0.000) 3.796 3.414 ( -0.000 5.413 0.000) 5.413 3.481 ( -0.000 2.909 0.000) 2.909 3.521 ( 0.000 -1.372 -0.000) 1.372 3.754 ( 0.000 -6.043 -0.000) 6.043 3.770 ( 0.000 -6.418 -0.000) 6.418 4.059 ( 0.000 -4.405 -0.000) 4.405 4.217 ( 0.000 -10.321 -0.000) 10.321 4.282 ( -0.000 1.776 0.000) 1.776 4.569 ( -0.000 3.536 0.000) 3.536 5.046 ( -0.000 8.332 0.000) 8.332 5.509 ( 0.000 -8.118 -0.000) 8.118 5.882 ( -0.000 6.106 0.000) 6.106 6.076 ( -0.000 3.890 0.000) 3.890 6.083 ( -0.000 6.848 0.000) 6.848 6.985 ( -0.000 11.911 0.000) 11.911 7.168 ( -0.000 8.318 0.000) 8.318 7.203 ( -0.000 6.503 0.000) 6.503 7.310 ( 0.000 -18.604 -0.000) 18.604 7.578 ( 0.000 -4.986 -0.000) 4.986 7.587 ( 0.000 -11.341 -0.000) 11.341 7.869 ( 0.000 -6.122 -0.000) 6.122 8.065 ( 0.000 -0.074 -0.000) 0.074 8.435 ( -0.000 4.590 0.000) 4.590 8.796 ( 0.000 -15.091 -0.000) 15.091 9.142 ( 0.000 -2.606 -0.000) 2.606 9.473 ( 0.000 -6.178 -0.000) 6.178 9.477 ( -0.000 1.113 0.000) 1.113 9.564 ( 0.000 -2.685 -0.000) 2.685 9.692 ( 0.000 -13.179 -0.000) 13.179 9.810 ( -0.000 0.954 0.000) 0.954 10.055 ( 0.000 -2.684 -0.000) 2.684 10.151 ( -0.000 1.817 0.000) 1.817 10.498 ( -0.000 2.790 0.000) 2.790 11.018 ( -0.000 11.539 0.000) 11.539 11.574 ( -0.000 5.154 0.000) 5.154 12.192 ( 0.000 -17.894 -0.000) 17.894 12.670 ( -0.000 0.275 0.000) 0.275 12.686 ( 0.000 -10.190 -0.000) 10.190 12.841 ( -0.000 3.243 0.000) 3.243 12.965 ( 0.000 -2.919 -0.000) 2.919 13.442 ( -0.000 1.481 0.000) 1.481 13.509 ( -0.000 0.590 0.000) 0.590 13.613 ( -0.000 0.976 0.000) 0.976 14.219 ( 0.000 -0.332 -0.000) 0.332 14.685 ( 0.000 -3.936 -0.000) 3.936 15.223 ( -0.000 5.925 0.000) 5.925 15.365 ( -0.000 9.087 0.000) 9.087 15.563 ( -0.000 5.863 0.000) 5.863 15.630 ( -0.000 12.487 0.000) 12.487 16.125 ( 0.000 -9.776 -0.000) 9.776 16.251 ( 0.000 -10.549 -0.000) 10.549 ======================= Grid point 51 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 1.187 -0.000 5.841) 5.961 0.302 ( 0.801 -0.000 14.291) 14.314 0.346 ( -4.655 0.000 16.234) 16.888 0.515 ( 3.345 -0.000 5.348) 6.308 1.173 ( 1.288 -0.000 -3.211) 3.460 1.250 ( 0.689 -0.000 -2.373) 2.471 1.287 ( -5.135 0.000 1.027) 5.237 1.298 ( -1.526 0.000 0.921) 1.783 1.372 ( 2.623 -0.000 0.260) 2.636 1.560 ( 0.463 -0.000 -0.164) 0.491 1.655 ( 0.552 -0.000 -0.832) 0.999 1.656 ( 1.213 -0.000 -0.334) 1.258 1.764 ( 0.383 -0.000 -2.303) 2.335 1.778 ( 0.806 -0.000 -4.408) 4.481 1.819 ( 4.054 -0.000 -5.670) 6.970 1.948 ( 0.218 -0.000 0.624) 0.661 2.022 ( -1.134 0.000 -1.596) 1.958 2.076 ( -1.132 0.000 0.780) 1.374 2.130 ( -0.035 0.000 -0.143) 0.147 2.158 ( 0.466 -0.000 0.571) 0.737 2.359 ( 0.435 -0.000 0.162) 0.464 2.369 ( 3.143 -0.000 -0.317) 3.159 2.423 ( -0.637 0.000 0.462) 0.787 2.518 ( -0.085 0.000 -1.012) 1.015 2.630 ( 0.730 -0.000 0.255) 0.774 2.641 ( -3.117 0.000 -1.272) 3.367 2.700 ( 0.882 -0.000 -3.084) 3.208 2.702 ( 1.210 -0.000 0.249) 1.236 2.737 ( -0.664 0.000 -1.019) 1.216 2.892 ( -0.347 0.000 0.010) 0.347 2.895 ( -1.092 0.000 -4.039) 4.184 2.910 ( -0.373 0.000 -0.159) 0.406 3.023 ( -3.683 0.000 2.025) 4.203 3.040 ( -0.457 0.000 -0.741) 0.871 3.088 ( -0.605 0.000 0.586) 0.842 3.118 ( 0.062 -0.000 1.368) 1.369 3.182 ( 2.458 -0.000 -2.315) 3.376 3.190 ( -0.396 0.000 2.107) 2.144 3.281 ( -0.806 0.000 -1.187) 1.434 3.351 ( 1.571 -0.000 -2.812) 3.221 3.361 ( -0.770 0.000 -0.347) 0.844 3.471 ( -0.586 0.000 2.844) 2.904 3.729 ( -2.175 0.000 12.137) 12.330 3.820 ( -0.552 0.000 -0.277) 0.617 4.105 ( -1.891 0.000 2.157) 2.868 4.197 ( -1.202 0.000 0.230) 1.224 4.466 ( -4.640 0.000 0.407) 4.658 4.707 ( -0.872 0.000 0.833) 1.206 5.111 ( -0.108 0.000 -0.175) 0.205 5.309 ( 5.887 -0.000 -10.303) 11.866 5.879 ( 2.507 -0.000 -3.541) 4.339 6.042 ( 0.758 -0.000 -1.770) 1.926 6.175 ( -3.899 0.000 7.960) 8.864 6.805 ( -1.400 0.000 -8.538) 8.652 7.105 ( 1.850 -0.000 -1.297) 2.259 7.116 ( 0.016 -0.000 1.771) 1.771 7.198 ( 3.119 -0.000 1.438) 3.435 7.337 ( -3.626 0.000 0.927) 3.743 7.388 ( 4.468 -0.000 -5.356) 6.974 7.800 ( 0.078 -0.000 -2.628) 2.629 8.299 ( -7.086 0.000 9.298) 11.690 8.519 ( 2.131 -0.000 0.481) 2.185 9.111 ( 3.925 -0.000 -2.503) 4.655 9.393 ( 15.073 -0.000 1.499) 15.148 9.426 ( -12.479 0.000 5.302) 13.559 9.520 ( -2.509 0.000 5.041) 5.631 9.554 ( -1.764 0.000 -2.142) 2.775 9.638 ( -1.300 0.000 0.715) 1.483 9.829 ( 0.014 -0.000 -0.698) 0.698 9.854 ( 2.244 -0.000 3.178) 3.890 10.112 ( 0.876 -0.000 2.445) 2.597 10.720 ( -3.074 0.000 -0.518) 3.117 11.098 ( -0.420 0.000 0.503) 0.656 11.499 ( 7.589 -0.000 -5.727) 9.508 11.994 ( -0.235 0.000 -0.370) 0.438 12.588 ( 0.279 -0.000 -1.417) 1.444 12.653 ( 0.866 -0.000 -1.717) 1.924 12.899 ( 0.298 -0.000 2.332) 2.351 12.991 ( -3.261 0.000 3.044) 4.461 13.071 ( -0.106 0.000 -2.251) 2.253 13.439 ( -0.888 0.000 -0.839) 1.222 13.476 ( 0.380 -0.000 -1.043) 1.110 14.246 ( 1.083 -0.000 7.808) 7.883 15.093 ( -3.385 0.000 -0.257) 3.395 15.170 ( 0.538 -0.000 -4.573) 4.604 15.680 ( -0.307 0.000 -0.024) 0.308 15.706 ( -0.934 0.000 -6.521) 6.587 15.727 ( 0.075 -0.000 0.405) 0.412 15.906 ( 3.412 -0.000 0.747) 3.493 16.305 ( 1.758 -0.000 2.449) 3.014 ======================= Grid point 52 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 5.844 -6.748 6.781) 11.211 0.362 ( 0.540 -4.550 9.620) 10.656 0.576 ( 4.358 -4.024 1.901) 6.229 0.701 ( -0.695 -21.625 8.234) 23.150 1.152 ( 1.078 2.569 -0.779) 2.893 1.228 ( 0.677 2.653 -1.293) 3.028 1.276 ( -0.117 4.675 -0.936) 4.769 1.315 ( 0.152 -6.289 -1.712) 6.519 1.458 ( 1.588 -6.215 1.597) 6.611 1.593 ( 0.371 -2.625 -1.052) 2.852 1.640 ( 0.999 -0.233 -0.932) 1.386 1.685 ( 1.369 -1.545 -0.082) 2.066 1.767 ( 2.347 -0.908 -3.899) 4.640 1.780 ( 0.769 -1.357 -3.157) 3.522 1.823 ( 1.506 0.480 -3.032) 3.420 1.939 ( 0.031 0.358 -1.716) 1.753 1.975 ( -1.874 0.574 -0.182) 1.969 2.031 ( -3.388 1.799 0.235) 3.843 2.131 ( -1.021 0.714 -0.866) 1.517 2.210 ( 1.679 -2.608 -0.498) 3.141 2.296 ( 1.576 3.387 0.342) 3.751 2.426 ( -0.700 1.401 0.130) 1.572 2.447 ( -1.234 4.774 -1.104) 5.053 2.488 ( 1.542 -4.507 0.546) 4.795 2.515 ( 0.415 6.765 -1.449) 6.930 2.640 ( 0.664 1.013 0.141) 1.220 2.656 ( -0.468 2.501 -0.280) 2.559 2.718 ( 0.541 -0.803 -1.522) 1.804 2.757 ( 4.631 4.562 -0.482) 6.519 2.843 ( -3.115 -0.331 -1.217) 3.361 2.873 ( 2.729 1.682 -3.519) 4.760 2.920 ( 0.389 0.121 -1.149) 1.219 2.988 ( -1.694 3.549 2.790) 4.822 3.034 ( 0.285 1.377 -1.160) 1.823 3.088 ( -0.894 -2.045 -1.422) 2.646 3.131 ( 0.822 6.065 0.138) 6.122 3.198 ( -2.075 -1.675 -0.575) 2.728 3.267 ( 0.744 -2.900 -1.703) 3.444 3.283 ( 3.376 -1.467 -3.372) 4.992 3.350 ( -0.135 -3.199 -1.304) 3.457 3.429 ( 0.160 -3.133 -1.800) 3.617 3.508 ( 0.169 -4.930 2.351) 5.465 3.737 ( -0.036 -0.344 7.196) 7.204 3.900 ( -1.676 -6.584 3.366) 7.582 4.149 ( -1.798 -4.083 0.634) 4.506 4.272 ( -2.028 -10.514 2.038) 10.900 4.336 ( -3.750 7.268 5.631) 9.929 4.660 ( -1.588 4.453 0.807) 4.796 5.033 ( 0.023 8.424 -0.019) 8.424 5.389 ( 5.725 -7.388 -10.239) 13.863 5.860 ( 2.352 2.581 -3.270) 4.783 5.991 ( 2.130 5.527 -1.644) 6.147 6.125 ( -1.872 6.229 7.001) 9.556 6.677 ( 6.766 9.672 -7.258) 13.856 7.090 ( 1.717 5.893 -0.533) 6.161 7.238 ( -3.053 7.405 1.634) 8.175 7.283 ( 6.045 -9.911 -5.162) 12.705 7.352 ( 2.521 -10.996 -5.866) 12.716 7.635 ( -3.190 -21.849 -9.076) 23.873 7.827 ( 0.198 -3.762 -2.396) 4.465 8.177 ( -5.304 8.251 9.182) 13.436 8.565 ( 1.337 -2.964 1.115) 3.438 9.142 ( -7.867 6.029 14.446) 17.520 9.298 ( -13.200 -11.322 0.891) 17.413 9.464 ( 2.773 -1.053 2.045) 3.603 9.556 ( -1.223 -3.904 -0.286) 4.101 9.671 ( 1.440 -5.429 0.046) 5.616 9.806 ( -2.057 -3.865 -3.574) 5.651 9.837 ( -7.547 -9.334 -0.897) 12.037 9.984 ( 10.345 -5.805 -7.523) 14.047 10.140 ( -0.041 -3.837 0.254) 3.846 10.672 ( -5.088 1.429 -1.741) 5.564 10.953 ( 1.332 13.147 0.250) 13.217 11.427 ( 5.632 8.885 -3.828) 11.195 12.187 ( -0.058 -18.083 -0.521) 18.090 12.630 ( 0.914 0.465 -2.528) 2.728 12.820 ( -4.202 -8.638 -2.416) 9.905 12.918 ( -4.549 -8.914 -5.541) 11.439 13.061 ( 14.962 -3.094 -3.844) 15.755 13.109 ( -0.300 -5.387 -2.370) 5.893 13.414 ( -0.195 1.708 -1.619) 2.362 13.465 ( 0.913 0.870 -1.686) 2.105 14.271 ( 0.016 1.375 8.591) 8.701 15.020 ( -10.712 1.723 3.200) 11.312 15.148 ( 0.686 1.426 -4.044) 4.342 15.422 ( 3.528 15.174 -4.936) 16.342 15.528 ( -1.045 11.846 1.623) 12.002 15.764 ( -2.262 13.650 10.714) 17.500 16.026 ( 2.647 -12.262 -2.951) 12.887 16.305 ( -1.200 -7.367 7.041) 10.261 ======================= Grid point 53 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 4.141 -8.146 3.088) 9.646 0.524 ( 3.111 -8.693 3.371) 9.829 0.701 ( 2.088 -6.489 0.338) 6.825 1.053 ( -2.118 -2.409 0.824) 3.312 1.102 ( 0.233 -3.930 0.648) 3.990 1.150 ( -0.912 4.369 -1.160) 4.612 1.178 ( 0.394 0.756 -1.198) 1.471 1.439 ( 0.903 -5.049 -0.163) 5.132 1.546 ( 1.285 -3.934 -0.924) 4.240 1.616 ( -0.144 -0.122 -2.704) 2.711 1.700 ( 2.018 -4.785 -1.450) 5.392 1.723 ( 0.242 -1.375 1.292) 1.902 1.763 ( 1.824 1.812 -2.175) 3.368 1.837 ( 1.585 -5.777 -4.318) 7.384 1.844 ( 0.877 -3.209 -1.428) 3.620 1.947 ( 1.816 -1.102 0.586) 2.203 1.977 ( -1.626 0.763 -0.153) 1.802 2.017 ( 0.772 -4.620 -1.122) 4.816 2.100 ( -1.523 0.656 -0.089) 1.661 2.191 ( -0.325 4.108 -0.688) 4.178 2.294 ( 0.127 8.454 -0.827) 8.495 2.313 ( 3.613 -0.941 -0.315) 3.746 2.352 ( -0.479 3.866 -1.369) 4.129 2.459 ( -0.496 0.306 -0.019) 0.583 2.547 ( -0.742 5.006 -0.082) 5.061 2.582 ( 2.159 0.302 0.152) 2.186 2.642 ( 0.143 2.740 1.855) 3.312 2.678 ( -3.391 1.531 -1.405) 3.977 2.735 ( 1.337 -0.009 1.471) 1.988 2.813 ( -1.697 1.180 -2.018) 2.889 2.821 ( 0.619 4.169 -1.285) 4.406 2.894 ( -0.491 4.256 2.279) 4.852 2.950 ( -0.485 -0.380 -1.981) 2.075 2.983 ( 0.350 6.393 0.495) 6.421 3.007 ( 0.010 2.440 -1.602) 2.919 3.109 ( 2.165 1.271 -1.853) 3.120 3.191 ( -1.343 0.213 0.747) 1.551 3.297 ( -0.224 -2.680 -1.541) 3.099 3.325 ( 0.583 -1.896 -0.151) 1.989 3.364 ( 2.215 1.349 -1.405) 2.949 3.418 ( -0.523 1.177 -3.597) 3.821 3.732 ( 0.220 -16.928 0.827) 16.949 3.817 ( 0.337 -5.184 4.416) 6.819 4.015 ( -1.788 -6.077 3.795) 7.384 4.188 ( -3.309 -2.321 -0.168) 4.045 4.231 ( -0.586 4.678 3.840) 6.080 4.514 ( -1.863 -2.302 1.274) 3.224 4.565 ( -1.736 -8.489 3.297) 9.271 4.821 ( 0.247 15.317 0.069) 15.319 5.466 ( 3.976 3.260 -6.575) 8.346 5.824 ( 0.674 0.823 -2.120) 2.372 5.935 ( 2.558 -1.470 -3.686) 4.721 6.002 ( -0.973 8.168 3.841) 9.079 6.520 ( 8.069 11.122 -7.362) 15.589 6.978 ( 1.091 6.328 -1.504) 6.595 7.083 ( -1.392 8.510 3.245) 9.213 7.481 ( 6.795 -9.067 -7.956) 13.845 7.552 ( 2.900 -11.617 -5.114) 13.020 7.836 ( 0.722 -4.326 -10.351) 11.242 7.912 ( 1.291 -5.767 -0.048) 5.910 8.090 ( -7.953 -1.352 11.896) 14.374 8.576 ( -2.801 3.382 6.057) 7.481 9.189 ( -2.991 -8.180 13.627) 16.172 9.346 ( -6.701 -4.283 -0.123) 7.954 9.485 ( -0.702 -0.257 2.047) 2.179 9.583 ( -1.002 -0.981 -1.241) 1.873 9.785 ( -2.192 -2.490 -2.841) 4.367 9.794 ( -2.953 0.550 1.887) 3.548 9.999 ( 1.265 -9.261 3.665) 10.040 10.051 ( 1.555 -4.728 -0.980) 5.072 10.266 ( -4.262 -10.691 -7.196) 13.573 10.584 ( -5.127 1.341 -3.299) 6.242 10.737 ( 1.940 12.057 -0.803) 12.238 11.279 ( 6.809 11.190 -3.243) 13.494 12.526 ( 0.370 -18.031 -2.253) 18.175 12.624 ( 1.314 -1.166 -0.885) 1.967 12.799 ( -0.811 3.471 1.119) 3.736 13.012 ( -3.645 -5.008 1.077) 6.287 13.163 ( -4.085 -5.090 -3.022) 7.193 13.273 ( 8.877 -5.416 -10.670) 14.899 13.377 ( 0.958 -0.466 -2.512) 2.728 13.467 ( 2.544 -1.398 -4.132) 5.050 14.286 ( -0.514 -0.452 7.116) 7.149 14.907 ( -3.219 7.414 7.151) 10.792 15.093 ( -2.162 1.948 -2.428) 3.789 15.191 ( 0.322 11.401 -6.692) 13.224 15.337 ( -1.823 6.630 -0.897) 6.934 15.587 ( -0.301 9.649 13.782) 16.827 16.230 ( 0.896 -9.504 -1.733) 9.702 16.487 ( -0.358 -8.970 2.875) 9.426 ======================= Grid point 54 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 2.274 -9.187 -2.085) 9.692 0.703 ( 3.389 -6.226 1.047) 7.165 0.794 ( 0.714 -1.595 -0.479) 1.812 0.935 ( -1.655 7.910 -0.049) 8.082 1.012 ( -1.675 4.024 -0.696) 4.414 1.056 ( 1.425 4.382 0.901) 4.696 1.394 ( -1.679 -10.614 -0.690) 10.768 1.497 ( 1.986 -1.770 -1.660) 3.135 1.578 ( 0.621 -1.515 -3.715) 4.059 1.622 ( 1.300 -1.127 -3.111) 3.555 1.723 ( 1.282 3.535 -1.530) 4.060 1.743 ( 0.780 0.019 1.156) 1.395 1.815 ( 0.349 -2.781 0.741) 2.899 1.858 ( 0.011 2.565 -0.365) 2.591 1.927 ( 0.670 -3.072 -0.882) 3.266 1.951 ( 2.102 -5.499 -2.252) 6.303 2.046 ( -1.006 0.307 -0.038) 1.052 2.051 ( 2.027 -1.578 -0.300) 2.586 2.093 ( -0.513 2.600 -0.095) 2.652 2.135 ( 0.172 -0.975 0.827) 1.290 2.224 ( 1.832 -1.879 -1.308) 2.932 2.279 ( 1.768 2.811 -1.461) 3.628 2.373 ( 1.217 -1.565 0.078) 1.984 2.441 ( -1.430 4.353 -0.245) 4.589 2.447 ( 0.132 1.693 -0.271) 1.719 2.537 ( 0.835 1.605 -0.676) 1.931 2.595 ( -2.211 3.361 1.147) 4.183 2.662 ( -1.500 -1.746 -2.337) 3.280 2.718 ( 0.239 4.309 1.530) 4.579 2.759 ( -1.525 1.212 2.053) 2.829 2.788 ( 0.069 -0.132 -1.514) 1.521 2.844 ( -0.909 3.909 -0.022) 4.014 2.870 ( -1.059 -1.949 1.533) 2.696 2.924 ( 1.938 6.177 0.626) 6.504 3.004 ( 0.627 -1.823 -2.123) 2.868 3.094 ( 0.185 -0.427 -1.837) 1.895 3.187 ( -0.705 0.493 1.693) 1.899 3.310 ( 1.152 2.101 -1.589) 2.875 3.353 ( -0.022 -2.657 -1.161) 2.900 3.383 ( 1.098 0.683 -3.567) 3.794 3.399 ( 1.506 -3.357 -0.255) 3.688 3.883 ( -1.048 -2.119 3.198) 3.977 4.067 ( -0.604 -10.963 0.729) 11.004 4.127 ( -1.097 -9.831 2.664) 10.244 4.151 ( -0.501 1.823 2.471) 3.111 4.255 ( -2.168 -6.586 0.446) 6.948 4.360 ( -0.551 9.508 0.003) 9.523 4.516 ( 0.402 18.449 0.360) 18.457 4.907 ( -1.057 -20.379 3.224) 20.659 5.260 ( -0.384 17.552 -0.229) 17.558 5.816 ( 0.483 -0.220 0.568) 0.777 5.873 ( -0.711 5.465 1.112) 5.623 6.082 ( 3.443 -12.292 -10.227) 16.356 6.345 ( 7.704 12.166 -8.417) 16.679 6.908 ( -0.133 0.820 -0.155) 0.845 6.958 ( -0.400 5.823 2.048) 6.185 7.634 ( 5.653 -5.826 -9.908) 12.808 7.662 ( 4.977 1.897 -8.357) 9.910 7.854 ( -0.051 -4.819 -1.917) 5.187 7.988 ( 0.534 -1.991 0.932) 2.263 8.177 ( -6.853 -6.795 12.164) 15.528 8.489 ( -5.153 5.848 9.560) 12.334 9.329 ( 0.000 -0.493 1.608) 1.682 9.403 ( -3.091 -4.738 5.747) 8.065 9.502 ( -0.562 -3.453 1.430) 3.780 9.573 ( -2.382 1.692 -0.382) 2.946 9.733 ( -2.391 1.498 1.546) 3.217 9.768 ( -0.632 0.550 -0.916) 1.241 10.065 ( 0.648 1.757 4.851) 5.200 10.282 ( -0.552 -13.736 1.026) 13.785 10.304 ( -3.180 -0.957 -3.921) 5.139 10.529 ( 2.388 9.188 -2.849) 9.911 10.641 ( -2.818 -9.801 -1.359) 10.288 11.123 ( 6.335 9.981 -4.777) 12.751 12.624 ( 1.911 -1.795 -2.351) 3.521 12.715 ( -0.589 3.062 -0.018) 3.118 12.855 ( 0.465 -12.542 -0.779) 12.575 13.043 ( 0.637 2.528 1.830) 3.186 13.178 ( -6.128 -3.656 -2.573) 7.585 13.253 ( 5.552 4.635 -2.804) 7.757 13.463 ( 0.252 -5.090 -3.678) 6.285 13.512 ( 3.406 -3.112 -3.399) 5.730 14.366 ( -0.584 -6.841 2.600) 7.341 14.781 ( 5.398 10.331 6.505) 13.348 14.941 ( -3.398 11.485 -5.167) 13.044 15.069 ( -4.091 -3.178 -0.352) 5.192 15.270 ( -1.652 0.055 -2.703) 3.168 15.511 ( -1.553 4.661 10.819) 11.882 16.350 ( 0.995 -3.528 -0.513) 3.701 16.599 ( -0.616 -2.889 0.305) 2.969 ======================= Grid point 55 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.762 9.054 -0.917) 9.270 0.728 ( -1.848 9.936 0.825) 10.140 0.769 ( 1.181 5.070 -2.259) 5.675 0.921 ( 1.793 -9.426 -1.801) 9.762 1.032 ( 3.432 -4.384 0.111) 5.568 1.062 ( -2.863 -4.698 1.451) 5.690 1.435 ( 2.918 10.215 -0.822) 10.655 1.461 ( -0.523 1.497 -2.385) 2.864 1.627 ( 1.315 6.263 0.000) 6.400 1.634 ( 2.129 -0.772 -2.688) 3.515 1.664 ( 1.779 -1.972 -0.908) 2.807 1.693 ( 2.480 1.491 -2.232) 3.654 1.820 ( -1.475 1.719 -1.550) 2.745 1.844 ( 0.231 -1.301 -0.181) 1.333 1.941 ( -1.039 1.947 -0.975) 2.413 1.997 ( -1.925 -0.527 0.379) 2.032 2.039 ( 0.786 -2.736 -0.790) 2.954 2.078 ( -0.211 3.562 -0.406) 3.591 2.106 ( -1.080 4.577 1.260) 4.869 2.140 ( 2.001 -5.672 0.872) 6.077 2.228 ( 0.749 0.624 -2.609) 2.785 2.267 ( -1.450 -1.461 -0.327) 2.085 2.397 ( -0.469 -1.159 0.719) 1.443 2.409 ( 1.482 -2.257 -1.090) 2.912 2.479 ( -0.973 -2.505 0.649) 2.765 2.530 ( 1.657 0.311 -0.122) 1.690 2.544 ( 0.720 -0.910 -1.788) 2.132 2.680 ( -1.070 -2.916 0.340) 3.124 2.695 ( 0.602 -0.417 -0.465) 0.867 2.732 ( -0.214 0.581 -0.224) 0.659 2.796 ( 1.476 -1.126 0.026) 1.857 2.850 ( 0.427 0.938 0.190) 1.048 2.860 ( 0.894 -3.109 0.859) 3.347 2.952 ( -2.438 -6.367 1.123) 6.910 3.027 ( 1.983 -0.427 -1.221) 2.368 3.107 ( -0.815 -1.890 -1.650) 2.638 3.165 ( 0.001 1.933 1.089) 2.219 3.291 ( 0.946 -0.584 -1.966) 2.258 3.359 ( 0.014 0.569 -1.199) 1.328 3.389 ( 1.223 0.002 -0.460) 1.307 3.466 ( 0.981 -2.766 -1.022) 3.108 3.859 ( -2.441 4.584 2.673) 5.841 4.053 ( 0.004 11.801 0.903) 11.835 4.109 ( -0.762 12.908 1.954) 13.077 4.136 ( -1.801 -2.452 1.911) 3.592 4.256 ( 1.915 6.408 0.208) 6.692 4.383 ( -0.323 -10.442 1.005) 10.496 4.521 ( -0.928 -18.329 0.559) 18.361 4.902 ( -1.830 20.929 2.483) 21.155 5.255 ( 0.171 -17.298 -0.059) 17.299 5.809 ( -0.205 0.163 -0.088) 0.277 5.867 ( -1.115 -4.270 1.004) 4.526 6.125 ( 5.947 13.369 -8.000) 16.676 6.290 ( 2.928 -11.903 -10.794) 16.333 6.901 ( 0.652 0.694 -0.327) 1.007 6.958 ( -1.179 -6.318 2.128) 6.770 7.548 ( 4.812 8.003 -8.994) 12.965 7.673 ( 5.322 4.110 -8.052) 10.491 7.924 ( -1.002 -2.270 0.020) 2.481 8.018 ( -4.076 -3.049 1.496) 5.306 8.302 ( -4.036 -6.089 11.682) 13.778 8.379 ( -3.118 6.210 7.134) 9.959 9.240 ( -1.276 11.429 1.882) 11.653 9.412 ( -0.962 -0.775 0.260) 1.262 9.503 ( -1.760 2.914 4.091) 5.323 9.619 ( 3.657 -4.322 1.605) 5.884 9.707 ( -1.242 2.440 1.455) 3.100 9.808 ( -1.440 -4.746 0.927) 5.046 9.988 ( -2.863 5.095 0.984) 5.926 10.229 ( 1.797 10.045 -0.865) 10.241 10.434 ( 2.606 -2.696 0.255) 3.758 10.519 ( -2.777 -11.725 -2.241) 12.256 10.811 ( 10.040 0.412 4.465) 10.996 11.026 ( -3.417 -4.693 -9.639) 11.252 12.658 ( -0.626 1.638 -0.436) 1.807 12.679 ( 1.773 -3.078 -2.084) 4.118 12.876 ( 0.287 15.228 -0.156) 15.232 12.973 ( 0.061 -0.410 -0.443) 0.607 13.211 ( 7.162 2.341 -1.603) 7.704 13.281 ( -2.161 -7.875 -1.260) 8.263 13.473 ( -2.511 -0.253 -2.808) 3.776 13.635 ( 3.587 -8.099 -3.021) 9.359 14.437 ( -1.431 4.668 -5.172) 7.113 14.715 ( 3.812 -1.547 0.544) 4.150 14.791 ( 1.183 2.518 9.432) 9.834 15.135 ( -2.577 -6.718 0.009) 7.195 15.258 ( -2.473 -1.603 -1.914) 3.514 15.477 ( -3.867 1.108 7.283) 8.320 16.361 ( 1.285 3.223 -0.017) 3.470 16.574 ( -0.518 4.957 -0.743) 5.039 ======================= Grid point 56 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -5.756 9.487 2.694) 11.419 0.507 ( -3.401 11.853 0.363) 12.337 0.645 ( 1.476 8.349 -1.165) 8.558 1.029 ( 2.122 11.268 0.628) 11.484 1.103 ( -0.725 -3.361 0.529) 3.479 1.153 ( 1.830 0.129 -1.475) 2.354 1.200 ( -0.396 -2.152 -0.035) 2.188 1.438 ( -0.550 2.915 -0.194) 2.973 1.515 ( 1.424 5.455 -1.218) 5.768 1.647 ( 0.965 2.374 -1.660) 3.053 1.677 ( 2.200 -1.740 -0.584) 2.865 1.701 ( 0.156 2.805 -1.943) 3.416 1.751 ( 0.047 1.298 -1.653) 2.102 1.836 ( 2.228 3.183 -2.821) 4.801 1.903 ( -1.837 7.720 -1.177) 8.022 1.931 ( -0.860 -1.671 -1.381) 2.332 2.014 ( 1.161 3.985 0.025) 4.150 2.039 ( -0.140 -1.692 0.819) 1.885 2.097 ( 1.289 -2.179 0.047) 2.532 2.232 ( 1.020 -1.987 0.991) 2.443 2.250 ( -1.367 0.011 -2.379) 2.743 2.320 ( -1.106 -7.793 -0.022) 7.871 2.393 ( -0.237 -2.083 0.000) 2.096 2.463 ( -0.035 -2.529 -0.544) 2.587 2.519 ( -1.045 -0.462 -1.004) 1.521 2.568 ( 2.464 -2.385 -0.243) 3.438 2.600 ( 0.624 -4.515 -0.022) 4.558 2.688 ( -2.036 -1.380 0.053) 2.461 2.732 ( 0.281 -1.495 1.070) 1.860 2.787 ( 2.482 -4.788 -2.455) 5.926 2.841 ( 1.354 -1.559 -0.125) 2.069 2.885 ( 2.203 -5.140 -0.543) 5.619 2.953 ( 0.207 -4.428 -0.115) 4.434 3.000 ( -1.441 -0.894 0.151) 1.702 3.061 ( -0.401 -2.134 -0.153) 2.177 3.133 ( -2.617 -3.273 -2.159) 4.715 3.159 ( 0.418 -0.754 2.305) 2.461 3.308 ( 1.638 3.121 -1.864) 3.987 3.331 ( 0.360 -1.989 -0.650) 2.123 3.413 ( -0.946 -2.564 -0.878) 2.870 3.484 ( 0.633 0.932 -1.751) 2.082 3.715 ( -0.598 15.954 0.788) 15.984 3.752 ( -1.879 8.849 2.731) 9.449 3.990 ( -0.585 6.150 3.195) 6.955 4.169 ( 0.034 -0.938 2.770) 2.925 4.223 ( 0.950 0.088 1.320) 1.629 4.546 ( -1.877 18.120 3.445) 18.540 4.550 ( 0.107 -7.899 0.902) 7.951 4.825 ( -0.703 -15.340 0.192) 15.357 5.462 ( 2.651 -3.748 -6.268) 7.769 5.828 ( 1.598 -0.633 -2.366) 2.925 5.949 ( 0.255 2.070 -3.523) 4.094 5.970 ( -1.595 -7.196 3.126) 8.006 6.476 ( 2.930 -11.332 -9.081) 14.814 6.947 ( 1.963 -4.862 -1.386) 5.424 7.108 ( -2.304 -9.933 3.408) 10.752 7.398 ( 5.460 9.294 -8.313) 13.612 7.532 ( 3.943 10.994 -5.198) 12.784 7.903 ( -0.866 3.335 -0.303) 3.459 8.060 ( -6.012 -5.670 1.812) 8.460 8.208 ( -7.185 9.170 2.310) 11.876 8.483 ( 5.363 -6.191 4.153) 9.184 9.011 ( 0.498 13.292 9.246) 16.199 9.423 ( 0.846 1.503 0.495) 1.795 9.474 ( -2.149 0.561 4.978) 5.451 9.649 ( -1.290 2.847 0.975) 3.274 9.687 ( 6.724 3.484 -0.210) 7.576 9.830 ( -0.431 1.322 0.380) 1.441 9.896 ( -1.773 4.951 0.336) 5.269 10.080 ( -0.160 3.588 0.139) 3.594 10.475 ( 4.965 3.359 -6.064) 8.527 10.714 ( -0.810 -11.912 -0.670) 11.958 10.768 ( 5.765 5.965 -2.832) 8.766 11.178 ( -2.729 -13.449 -3.180) 14.086 12.540 ( 0.091 20.083 -0.263) 20.085 12.638 ( -0.188 0.167 -1.983) 1.999 12.762 ( 1.577 -3.889 0.163) 4.200 12.938 ( 3.180 4.533 -0.834) 5.599 13.187 ( 6.325 5.501 -1.708) 8.555 13.386 ( -1.279 -5.001 -0.893) 5.238 13.441 ( -2.892 -0.369 -3.526) 4.575 13.738 ( -1.299 -1.620 -18.859) 18.973 14.211 ( -1.183 8.992 -4.702) 10.216 14.842 ( 14.272 2.422 25.490) 29.314 14.976 ( -4.427 -19.674 -0.969) 20.189 15.205 ( -3.883 -2.971 -2.439) 5.464 15.332 ( -0.771 -9.549 4.613) 10.632 15.479 ( -5.758 -3.406 3.777) 7.682 16.253 ( 0.285 9.465 -0.815) 9.505 16.426 ( 0.457 11.080 0.504) 11.101 ======================= Grid point 57 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -7.783 7.994 4.456) 12.014 0.313 ( -4.665 6.584 8.347) 11.609 0.525 ( 1.175 5.143 0.791) 5.334 0.634 ( -0.013 25.846 7.450) 26.899 1.156 ( -0.715 -2.854 -0.978) 3.100 1.231 ( -0.141 -3.542 -0.600) 3.595 1.296 ( -0.625 -6.042 -1.173) 6.186 1.330 ( -0.665 6.065 -1.402) 6.260 1.434 ( -0.360 6.555 1.323) 6.697 1.594 ( 0.360 3.149 -0.872) 3.287 1.644 ( -0.348 0.650 -0.950) 1.203 1.673 ( 0.430 1.734 -0.437) 1.839 1.764 ( 2.516 -1.255 -3.470) 4.466 1.796 ( 1.179 1.159 -3.865) 4.204 1.818 ( 1.891 1.589 -3.165) 4.015 1.940 ( 1.419 -0.378 -0.401) 1.522 2.000 ( 0.092 -0.775 -1.169) 1.406 2.055 ( 0.761 -0.420 0.711) 1.123 2.138 ( 0.374 -1.303 -0.406) 1.415 2.203 ( -0.134 2.951 -1.023) 3.126 2.281 ( 0.396 -3.299 0.368) 3.343 2.421 ( 1.253 -0.063 0.139) 1.262 2.437 ( 0.189 -0.008 0.282) 0.340 2.492 ( -1.360 -0.744 -0.662) 1.686 2.541 ( -1.294 -8.858 -0.973) 9.005 2.619 ( 0.725 -1.255 0.112) 1.454 2.664 ( -0.037 -2.776 -0.353) 2.799 2.713 ( -1.161 -1.636 -0.134) 2.011 2.764 ( -2.026 -2.038 -2.255) 3.652 2.856 ( 2.087 -2.829 -2.436) 4.277 2.892 ( 0.407 -2.025 -1.953) 2.842 2.931 ( -1.120 -0.235 -1.185) 1.648 3.004 ( -2.180 -2.741 1.691) 3.890 3.049 ( -1.308 -1.856 -0.149) 2.275 3.066 ( 1.813 -0.333 -0.270) 1.863 3.145 ( -2.465 -1.552 1.164) 3.137 3.195 ( 0.968 -0.218 2.527) 2.715 3.263 ( 3.050 0.923 -5.807) 6.624 3.359 ( 0.154 1.861 -0.003) 1.867 3.373 ( -5.104 4.833 -8.108) 10.731 3.436 ( 0.696 3.777 -1.506) 4.125 3.499 ( -2.083 4.859 1.346) 5.455 3.683 ( -1.800 0.316 7.571) 7.788 3.890 ( -0.006 6.199 2.395) 6.646 4.154 ( 0.327 3.566 0.929) 3.699 4.272 ( -1.256 5.803 4.305) 7.334 4.331 ( -0.757 -4.551 5.520) 7.194 4.665 ( 0.025 -4.388 0.929) 4.485 5.034 ( -0.322 -8.408 0.127) 8.415 5.386 ( 5.538 7.564 -10.138) 13.808 5.852 ( 1.836 -2.321 -3.505) 4.587 6.000 ( -1.612 -5.705 -2.237) 6.336 6.107 ( -3.425 -6.780 6.791) 10.189 6.664 ( 3.240 -11.123 -7.409) 13.752 7.066 ( 1.820 -6.266 -0.700) 6.562 7.236 ( 5.322 8.060 -6.161) 11.456 7.258 ( -1.593 -3.429 3.545) 5.183 7.367 ( 2.473 6.226 -6.088) 9.052 7.791 ( -2.618 14.058 -6.029) 15.518 7.891 ( -4.252 13.896 -11.879) 18.769 8.172 ( -4.632 -8.668 10.093) 14.088 8.543 ( 2.409 3.577 -2.559) 5.015 9.024 ( 10.861 -5.348 18.267) 21.915 9.332 ( 11.262 16.140 -0.994) 19.706 9.461 ( -7.511 0.448 3.731) 8.399 9.562 ( 0.089 5.406 0.728) 5.455 9.627 ( 2.785 2.578 -1.066) 3.942 9.804 ( 2.415 2.657 0.757) 3.669 9.839 ( 1.492 1.550 0.416) 2.191 10.071 ( -2.430 -0.068 -1.896) 3.083 10.215 ( -2.002 21.565 -21.051) 30.203 10.729 ( -0.220 -0.116 -0.167) 0.300 10.946 ( -0.821 -13.530 0.218) 13.556 11.367 ( 3.016 -8.560 -0.785) 9.109 12.187 ( 0.088 17.924 0.183) 17.925 12.638 ( 0.574 -0.541 -2.318) 2.449 12.829 ( 4.402 3.499 -0.885) 5.693 12.869 ( 9.002 5.612 -3.056) 11.039 13.112 ( 2.729 5.421 -2.440) 6.541 13.282 ( -19.978 13.822 -24.714) 34.655 13.433 ( -1.219 -1.916 -0.436) 2.312 13.492 ( -2.929 3.005 -4.886) 6.441 14.189 ( 2.104 -1.275 6.045) 6.526 15.034 ( 15.934 0.255 7.770) 17.729 15.189 ( -3.858 -1.979 -4.638) 6.349 15.369 ( -2.305 -23.536 7.165) 24.710 15.548 ( -5.213 -10.765 4.287) 12.706 15.637 ( 2.424 -18.430 13.728) 23.109 16.033 ( -0.806 13.875 -2.498) 14.121 16.235 ( 2.101 10.450 5.962) 12.213 ======================= Grid point 59 (24/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 8.307 -0.000 2.540) 8.687 0.411 ( -1.455 0.000 12.161) 12.247 0.449 ( 1.915 -0.000 11.188) 11.351 0.661 ( 6.744 -0.000 7.112) 9.801 1.165 ( 1.308 -0.000 -3.430) 3.671 1.231 ( 0.511 -0.000 -3.541) 3.578 1.285 ( 1.461 -0.000 -0.865) 1.698 1.295 ( -0.442 0.000 1.498) 1.562 1.434 ( 3.935 -0.000 -0.177) 3.939 1.567 ( 0.582 -0.000 -0.146) 0.600 1.657 ( 1.190 -0.000 -1.610) 2.002 1.680 ( 1.776 -0.000 0.189) 1.786 1.758 ( 1.464 -0.000 -2.388) 2.801 1.764 ( 1.674 -0.000 -3.302) 3.702 1.831 ( 3.389 -0.000 -5.031) 6.066 1.933 ( -2.791 0.000 0.770) 2.895 1.957 ( -4.301 0.000 -1.662) 4.611 2.028 ( -4.609 0.000 0.919) 4.700 2.119 ( -0.447 0.000 -0.556) 0.713 2.182 ( 0.829 -0.000 0.063) 0.832 2.395 ( 3.294 -0.000 0.179) 3.299 2.400 ( 1.797 -0.000 0.043) 1.797 2.426 ( 0.800 -0.000 -0.040) 0.801 2.503 ( -0.158 0.000 -0.610) 0.630 2.585 ( -2.656 0.000 -0.562) 2.715 2.623 ( -1.458 0.000 -0.333) 1.496 2.668 ( 0.101 -0.000 -5.501) 5.502 2.713 ( -0.161 0.000 0.016) 0.162 2.788 ( -4.296 0.000 -0.155) 4.298 2.885 ( -0.485 0.000 0.143) 0.506 2.898 ( 6.243 -0.000 -5.353) 8.223 2.961 ( 13.134 -0.000 -6.837) 14.807 3.000 ( -2.961 0.000 -0.923) 3.102 3.024 ( -0.548 0.000 2.759) 2.813 3.074 ( -0.736 0.000 0.135) 0.748 3.144 ( 0.532 -0.000 1.958) 2.029 3.222 ( 2.779 -0.000 1.156) 3.010 3.238 ( 5.687 -0.000 -1.909) 5.999 3.268 ( 0.667 -0.000 -0.505) 0.837 3.346 ( -0.731 0.000 -0.446) 0.857 3.370 ( 3.191 -0.000 -1.939) 3.734 3.490 ( 0.216 -0.000 2.302) 2.312 3.794 ( -2.510 0.000 0.126) 2.513 3.798 ( -2.327 0.000 11.533) 11.766 4.083 ( -3.187 0.000 2.165) 3.853 4.176 ( -1.533 0.000 0.335) 1.570 4.395 ( -5.397 0.000 3.643) 6.511 4.687 ( -2.508 0.000 1.056) 2.721 5.108 ( 0.105 -0.000 -0.180) 0.208 5.312 ( 5.659 -0.000 -10.517) 11.943 5.894 ( 2.539 -0.000 -3.588) 4.396 6.066 ( 3.418 -0.000 -2.228) 4.080 6.199 ( -2.433 0.000 8.243) 8.594 6.819 ( 11.890 -0.000 -10.228) 15.684 7.108 ( -0.142 0.000 -0.838) 0.850 7.138 ( 0.176 -0.000 2.437) 2.444 7.250 ( 4.622 -0.000 -4.377) 6.366 7.324 ( -1.421 0.000 4.538) 4.755 7.407 ( 4.641 -0.000 -7.479) 8.802 7.779 ( 0.084 -0.000 -2.312) 2.313 8.263 ( -7.566 0.000 9.904) 12.463 8.565 ( 2.522 -0.000 0.975) 2.704 9.003 ( -17.350 0.000 12.030) 21.112 9.208 ( -7.556 0.000 8.876) 11.656 9.498 ( -2.300 0.000 -2.158) 3.154 9.517 ( -3.407 0.000 4.679) 5.788 9.535 ( 1.124 -0.000 -3.949) 4.105 9.643 ( -0.404 0.000 0.390) 0.561 9.822 ( -0.111 0.000 -0.795) 0.802 10.011 ( 7.633 -0.000 -3.213) 8.282 10.143 ( 0.593 -0.000 2.285) 2.361 10.640 ( -5.208 0.000 -1.220) 5.349 11.109 ( 0.934 -0.000 0.935) 1.322 11.532 ( 4.494 -0.000 -5.648) 7.218 11.992 ( 0.372 -0.000 -0.381) 0.532 12.577 ( 0.123 -0.000 -1.574) 1.578 12.656 ( 1.007 -0.000 -1.323) 1.663 12.916 ( -0.659 0.000 2.095) 2.196 13.026 ( -2.484 0.000 -2.691) 3.662 13.167 ( 16.636 -0.000 -2.173) 16.777 13.422 ( 0.433 -0.000 -1.864) 1.913 13.480 ( 1.242 -0.000 -0.996) 1.592 14.313 ( -1.837 0.000 8.813) 9.003 14.939 ( -12.933 0.000 2.531) 13.178 15.161 ( 2.581 -0.000 -3.189) 4.102 15.637 ( -2.584 0.000 -5.017) 5.643 15.667 ( -1.144 0.000 -0.071) 1.147 15.745 ( 1.428 -0.000 0.445) 1.495 15.954 ( 2.598 -0.000 -3.260) 4.169 16.250 ( -7.307 0.000 6.500) 9.779 ======================= Grid point 60 (25/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 4.499 -4.835 3.533) 7.490 0.470 ( 3.937 -3.169 6.486) 8.222 0.677 ( 3.869 -6.060 4.835) 8.664 0.733 ( -1.275 -11.016 3.510) 11.632 1.154 ( 1.083 1.864 -3.026) 3.715 1.234 ( 1.018 5.057 -0.335) 5.170 1.274 ( 0.314 2.704 -0.299) 2.739 1.311 ( 0.759 -6.864 -0.730) 6.944 1.494 ( 1.628 -3.843 0.273) 4.182 1.587 ( 0.085 -1.334 -1.090) 1.725 1.660 ( 2.660 -1.175 -1.404) 3.229 1.709 ( 1.683 -1.142 -0.215) 2.045 1.766 ( 1.090 -0.638 -2.578) 2.871 1.787 ( 3.360 -2.688 -2.609) 5.032 1.808 ( -0.223 2.323 -2.348) 3.310 1.927 ( 0.137 -2.548 -1.292) 2.860 1.943 ( -2.287 -2.417 0.311) 3.342 1.979 ( -3.436 1.439 0.452) 3.752 2.108 ( -0.504 0.996 -0.566) 1.251 2.215 ( -0.560 -2.098 -1.231) 2.497 2.337 ( 3.381 3.255 -0.253) 4.700 2.406 ( -1.412 2.411 0.276) 2.807 2.433 ( 0.387 6.470 -0.073) 6.482 2.502 ( -0.029 2.981 -0.215) 2.989 2.531 ( 2.309 -3.515 -0.795) 4.280 2.627 ( -1.282 -0.053 -0.398) 1.343 2.640 ( -0.945 2.701 -1.533) 3.246 2.701 ( -1.578 -2.636 -2.837) 4.181 2.739 ( -3.906 3.186 0.940) 5.127 2.837 ( -0.001 3.293 -0.769) 3.382 2.902 ( 2.322 2.824 -4.359) 5.689 2.935 ( 2.720 2.081 0.216) 3.432 2.995 ( 0.974 4.602 0.805) 4.772 3.043 ( -1.446 -1.684 -0.279) 2.237 3.051 ( 3.321 2.182 -0.814) 4.056 3.148 ( 0.590 3.146 -0.161) 3.205 3.195 ( 2.604 1.364 -0.899) 3.074 3.284 ( 1.051 -0.119 0.599) 1.216 3.307 ( 1.510 -0.621 -0.933) 1.880 3.362 ( 3.779 -3.011 -2.208) 5.313 3.416 ( 0.235 -1.636 -1.519) 2.245 3.528 ( -0.021 -3.966 1.728) 4.326 3.778 ( -0.904 -1.919 3.686) 4.253 3.897 ( -3.357 -6.401 5.274) 8.948 4.115 ( -2.930 -3.218 0.613) 4.395 4.255 ( -2.593 -11.052 3.523) 11.886 4.328 ( -2.547 3.967 3.851) 6.087 4.633 ( -2.703 4.180 1.051) 5.087 5.035 ( 0.352 8.284 -0.088) 8.292 5.391 ( 5.805 -7.640 -10.799) 14.446 5.860 ( 1.163 3.587 -3.029) 4.836 6.022 ( 3.058 5.966 -1.366) 6.842 6.152 ( -2.600 6.525 7.254) 10.097 6.753 ( 11.008 10.687 -9.093) 17.835 7.107 ( 1.773 6.026 -2.098) 6.622 7.221 ( -0.459 3.424 1.452) 3.748 7.322 ( 5.117 -10.455 -7.629) 13.917 7.348 ( 1.048 -8.387 -1.626) 8.607 7.566 ( 1.720 -16.279 -6.345) 17.556 7.821 ( 0.949 -4.876 -1.420) 5.166 8.171 ( -5.376 7.055 9.634) 13.095 8.595 ( -0.390 -0.880 3.604) 3.730 9.072 ( -16.832 -9.366 16.695) 25.491 9.174 ( -2.525 -3.486 -0.353) 4.319 9.485 ( -1.255 0.385 1.478) 1.976 9.540 ( -0.277 -3.961 -0.156) 3.974 9.641 ( -4.773 -5.146 -0.945) 7.082 9.712 ( -1.664 -13.356 -0.724) 13.478 9.811 ( -0.207 0.510 -0.446) 0.709 10.056 ( 2.649 -2.324 -2.574) 4.364 10.145 ( -0.207 0.549 1.380) 1.500 10.576 ( -4.825 2.343 -1.070) 5.469 10.983 ( 1.980 12.591 0.186) 12.747 11.479 ( 5.431 6.933 -3.875) 9.622 12.183 ( 0.292 -17.849 -0.544) 17.860 12.625 ( 1.189 -0.767 -2.322) 2.719 12.739 ( -2.501 -11.867 -1.509) 12.221 12.877 ( -1.477 2.917 -0.175) 3.274 13.042 ( -3.701 -4.321 -1.562) 5.899 13.285 ( 15.141 -0.347 -3.650) 15.578 13.407 ( 1.585 1.680 -1.587) 2.802 13.479 ( 2.184 0.660 -1.294) 2.623 14.320 ( -2.963 0.910 7.859) 8.448 14.872 ( -10.710 -2.158 2.187) 11.142 15.155 ( 2.906 2.349 -1.066) 3.885 15.398 ( -0.133 14.174 -5.411) 15.172 15.534 ( 0.332 12.646 1.013) 12.691 15.756 ( -5.612 5.773 4.648) 9.297 16.044 ( 3.110 -10.728 -4.088) 11.895 16.324 ( -2.661 -8.976 5.427) 10.821 ======================= Grid point 61 (26/88) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 2.450 -5.857 0.583) 6.376 0.631 ( 4.706 -6.864 2.113) 8.586 0.733 ( 1.641 -2.812 0.299) 3.270 1.015 ( -2.791 -7.465 -0.015) 7.969 1.085 ( -0.634 3.715 -2.701) 4.637 1.148 ( 0.149 -1.448 1.509) 2.097 1.186 ( 0.643 6.002 0.776) 6.086 1.454 ( 1.240 -5.906 -0.486) 6.054 1.547 ( 0.583 -2.128 -2.529) 3.356 1.591 ( -0.351 -0.228 -1.505) 1.562 1.725 ( 0.674 -0.845 1.184) 1.603 1.743 ( 3.553 -4.378 -2.637) 6.224 1.762 ( 0.056 1.365 -1.199) 1.817 1.823 ( 1.244 -5.586 -3.898) 6.924 1.866 ( 2.028 -3.180 -0.015) 3.771 1.936 ( -2.359 0.498 0.089) 2.413 2.003 ( 1.970 -5.214 1.004) 5.664 2.030 ( 2.317 -4.337 -0.806) 4.983 2.088 ( 0.503 -0.864 0.186) 1.017 2.177 ( 0.158 4.398 -2.043) 4.852 2.295 ( -0.072 6.839 -0.415) 6.852 2.345 ( 0.888 3.462 0.631) 3.630 2.369 ( 3.258 -1.074 0.108) 3.432 2.440 ( -1.806 1.565 -0.421) 2.426 2.536 ( 0.101 5.455 -1.246) 5.596 2.584 ( -4.238 3.622 -2.076) 5.949 2.612 ( 0.741 -2.064 -1.241) 2.520 2.640 ( -2.211 3.351 0.605) 4.060 2.737 ( -1.759 -1.199 1.412) 2.555 2.779 ( -0.686 1.214 -1.592) 2.116 2.831 ( 1.214 5.447 0.345) 5.591 2.892 ( -1.848 3.672 1.125) 4.262 2.939 ( 0.999 4.192 -1.190) 4.470 2.985 ( 0.250 3.218 -0.128) 3.230 3.033 ( 2.690 1.998 0.099) 3.352 3.135 ( 3.075 3.311 -1.240) 4.686 3.172 ( -0.807 -0.207 -0.094) 0.839 3.300 ( 0.466 -1.367 0.539) 1.542 3.329 ( 0.647 -1.430 -0.423) 1.625 3.386 ( 0.825 1.054 -3.821) 4.049 3.392 ( 1.183 1.592 -0.054) 1.984 3.741 ( 0.106 -17.242 0.397) 17.247 3.848 ( -0.281 -4.313 3.042) 5.285 4.010 ( -3.244 -6.838 4.115) 8.614 4.140 ( -2.423 -2.732 0.020) 3.652 4.247 ( -0.662 4.493 2.347) 5.112 4.497 ( -1.577 2.212 1.131) 2.943 4.563 ( -2.776 -14.246 4.446) 15.179 4.827 ( 0.407 15.243 0.142) 15.249 5.470 ( 3.774 3.669 -6.848) 8.637 5.814 ( 0.660 -1.150 -2.440) 2.777 5.947 ( 2.524 1.489 -3.009) 4.201 6.012 ( -1.545 9.051 3.351) 9.774 6.586 ( 8.773 12.188 -9.377) 17.704 6.978 ( 1.109 6.712 -2.489) 7.245 7.102 ( -0.570 8.790 4.071) 9.704 7.494 ( 4.342 -9.156 -9.733) 14.051 7.555 ( 2.991 -11.641 -5.284) 13.129 7.809 ( 4.832 -6.718 -6.355) 10.434 7.932 ( 1.114 -6.333 -0.116) 6.432 8.084 ( -6.149 0.318 12.975) 14.361 8.568 ( -5.517 3.798 7.297) 9.904 9.218 ( -8.873 -11.474 5.774) 15.612 9.270 ( -0.284 -7.742 5.569) 9.541 9.474 ( -1.316 0.406 -0.697) 1.543 9.570 ( -0.195 -0.241 0.075) 0.319 9.690 ( -5.590 -4.722 0.169) 7.320 9.785 ( -0.266 1.456 0.060) 1.481 9.999 ( -0.664 -17.263 -0.044) 17.276 10.111 ( 1.878 -0.525 3.439) 3.954 10.160 ( -3.796 -5.686 -3.963) 7.902 10.496 ( -3.350 0.603 -0.925) 3.528 10.765 ( 2.250 13.172 -0.830) 13.388 11.356 ( 6.243 10.321 -3.257) 12.495 12.523 ( 1.556 -17.510 -1.801) 17.671 12.641 ( 1.431 -2.749 -0.679) 3.173 12.781 ( -1.840 3.985 -0.020) 4.389 12.945 ( -3.487 -10.640 -1.063) 11.247 13.077 ( -4.371 -3.604 -1.717) 5.920 13.350 ( 4.981 2.421 -3.296) 6.444 13.405 ( 7.104 -0.396 -1.411) 7.254 13.495 ( 3.443 -0.875 -1.980) 4.067 14.316 ( -2.677 -0.642 5.608) 6.248 14.867 ( -6.123 -3.591 0.443) 7.112 15.074 ( 0.076 10.314 -2.679) 10.657 15.156 ( 0.616 9.714 2.386) 10.021 15.327 ( 1.944 9.108 -2.587) 9.665 15.624 ( -4.894 6.086 6.422) 10.111 16.243 ( 2.200 -9.326 -1.337) 9.674 16.485 ( -2.119 -8.477 1.546) 8.874 ======================= Grid point 62 (27/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 2.197 -7.112 -2.390) 7.818 0.754 ( 1.898 -1.921 -0.633) 2.773 0.808 ( 1.277 -3.915 0.020) 4.118 0.908 ( -1.134 9.409 -0.723) 9.505 0.978 ( -1.430 1.811 -0.879) 2.469 1.088 ( 0.621 5.030 1.899) 5.412 1.372 ( -0.782 -11.156 0.568) 11.197 1.512 ( 2.047 -0.686 -2.903) 3.618 1.565 ( 1.162 -3.134 -2.137) 3.968 1.620 ( 1.400 -2.428 -2.975) 4.087 1.714 ( -0.093 2.497 -2.430) 3.486 1.755 ( -0.350 -0.984 -0.206) 1.064 1.822 ( 0.034 -1.035 0.767) 1.289 1.870 ( 1.652 2.763 -0.643) 3.283 1.923 ( -0.137 -1.823 -0.261) 1.846 1.958 ( 1.289 -4.735 -2.254) 5.400 2.025 ( -1.058 0.963 0.705) 1.595 2.076 ( 1.127 2.861 -0.257) 3.085 2.125 ( 1.301 -1.392 0.338) 1.935 2.154 ( 3.063 0.324 0.596) 3.138 2.246 ( 1.370 -1.334 -0.304) 1.937 2.287 ( 1.451 3.986 -2.040) 4.707 2.367 ( -2.030 1.499 0.001) 2.524 2.436 ( 0.728 3.142 0.363) 3.246 2.456 ( 1.714 -1.707 -1.089) 2.653 2.515 ( -1.728 -1.329 -1.917) 2.903 2.547 ( -3.446 3.766 -0.635) 5.144 2.642 ( 0.936 -1.386 -1.605) 2.318 2.711 ( -2.425 3.717 1.171) 4.590 2.757 ( -1.042 -0.936 2.696) 3.038 2.781 ( -0.328 0.584 0.458) 0.812 2.841 ( 1.496 3.495 -1.727) 4.175 2.858 ( -1.849 -0.992 1.512) 2.587 2.966 ( 1.642 5.464 0.686) 5.746 3.007 ( 0.777 -0.302 -0.130) 0.844 3.091 ( 1.457 -0.084 -2.000) 2.476 3.187 ( -0.428 -0.105 1.047) 1.136 3.313 ( 1.103 2.180 -2.094) 3.217 3.352 ( 0.797 -1.306 -0.249) 1.550 3.378 ( 0.949 -1.140 -2.219) 2.669 3.401 ( -0.422 -2.810 -0.722) 2.932 3.902 ( 0.110 -0.759 2.735) 2.841 4.061 ( -0.991 -10.277 0.769) 10.353 4.128 ( -1.498 -11.677 2.283) 11.992 4.163 ( -0.470 3.588 1.834) 4.056 4.229 ( -1.458 -9.084 0.328) 9.206 4.351 ( -0.651 9.154 0.520) 9.192 4.524 ( 0.118 18.373 0.523) 18.381 4.915 ( -1.589 -20.629 3.395) 20.967 5.250 ( -0.420 17.939 -0.195) 17.945 5.826 ( -0.109 -0.168 0.780) 0.805 5.871 ( -0.232 6.346 0.583) 6.377 6.059 ( 4.461 -11.575 -9.692) 15.742 6.381 ( 6.571 13.328 -9.894) 17.853 6.906 ( 0.188 0.709 -0.469) 0.871 6.969 ( -0.724 6.325 2.247) 6.752 7.618 ( 4.054 -4.368 -10.480) 12.056 7.675 ( 4.895 -0.988 -8.568) 9.917 7.866 ( 2.264 -2.569 1.169) 3.618 7.994 ( -0.266 0.212 0.340) 0.481 8.193 ( -5.172 -8.049 13.090) 16.214 8.468 ( -6.722 4.971 7.718) 11.378 9.307 ( -1.918 -3.187 -1.029) 3.860 9.417 ( -2.277 1.205 3.553) 4.389 9.501 ( 0.614 -8.240 1.491) 8.396 9.565 ( -0.977 -0.054 4.222) 4.334 9.718 ( -1.184 -1.517 2.423) 3.094 9.750 ( -1.365 1.447 0.147) 1.994 10.074 ( -2.902 4.876 0.703) 5.718 10.245 ( -0.188 -8.249 -1.229) 8.343 10.271 ( -1.095 -11.268 0.045) 11.321 10.546 ( 2.157 8.967 -1.842) 9.405 10.601 ( -1.373 -11.531 -0.776) 11.638 11.187 ( 5.748 12.328 -3.944) 14.163 12.640 ( 2.205 -1.992 -1.832) 3.491 12.695 ( -1.168 3.478 -0.772) 3.749 12.882 ( 3.253 -13.468 -0.084) 13.856 13.044 ( -4.851 -5.450 0.706) 7.331 13.066 ( -2.128 2.463 -2.133) 3.892 13.319 ( 4.429 1.941 -2.357) 5.379 13.447 ( 2.254 0.642 -1.703) 2.897 13.549 ( 2.859 -3.623 -1.843) 4.970 14.381 ( -0.903 -6.447 3.383) 7.336 14.760 ( -1.856 12.459 -11.539) 17.083 14.955 ( -1.666 -3.112 2.287) 4.206 15.070 ( 2.347 5.516 13.927) 15.162 15.235 ( 0.614 1.838 -5.042) 5.401 15.520 ( -5.343 4.123 5.197) 8.519 16.372 ( 1.593 -3.451 -0.188) 3.805 16.580 ( -1.333 -3.122 -0.382) 3.416 ======================= Grid point 63 (28/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.673 10.820 0.390) 10.848 0.705 ( -0.919 11.802 -0.929) 11.874 0.780 ( 1.528 3.923 -1.069) 4.344 0.938 ( 1.872 -9.365 -0.833) 9.586 1.027 ( -2.403 -4.961 0.504) 5.535 1.072 ( 1.145 -3.687 -0.163) 3.864 1.439 ( 0.203 3.317 -2.032) 3.895 1.469 ( 1.976 6.925 -0.835) 7.249 1.620 ( 0.578 3.476 -2.885) 4.554 1.666 ( 1.656 1.046 -0.741) 2.094 1.686 ( 2.072 -5.280 -0.685) 5.714 1.703 ( 1.472 3.668 -3.993) 5.619 1.789 ( -0.586 3.921 0.094) 3.966 1.855 ( 0.748 -1.743 0.467) 1.953 1.913 ( -0.882 1.819 -0.890) 2.208 1.963 ( -1.957 -0.984 -0.121) 2.193 2.038 ( -0.217 5.454 -0.803) 5.517 2.071 ( 0.269 -0.144 -0.003) 0.305 2.115 ( 0.549 -0.032 0.090) 0.557 2.175 ( 1.465 -0.981 -0.870) 1.966 2.216 ( -2.808 -1.209 0.580) 3.111 2.247 ( 2.122 1.035 -2.044) 3.123 2.369 ( -1.332 -0.604 -1.901) 2.399 2.436 ( 1.362 -0.702 0.185) 1.543 2.469 ( -0.282 -2.792 0.708) 2.895 2.521 ( -0.965 -2.498 -1.974) 3.327 2.575 ( 3.321 -2.297 0.682) 4.095 2.662 ( -2.120 -0.731 1.918) 2.951 2.696 ( 1.873 -4.546 -1.600) 5.171 2.750 ( 0.399 1.930 0.722) 2.099 2.812 ( -0.657 -3.627 1.510) 3.983 2.848 ( 0.638 -2.066 -1.006) 2.385 2.880 ( -0.154 0.780 0.951) 1.239 2.927 ( -1.346 -5.108 0.450) 5.301 3.030 ( 0.725 -1.582 -2.714) 3.224 3.108 ( 1.575 0.498 -0.180) 1.661 3.169 ( -0.935 1.347 1.321) 2.106 3.294 ( 1.447 -1.169 -1.757) 2.559 3.349 ( 0.274 1.416 -0.739) 1.620 3.395 ( 0.053 0.170 -1.209) 1.222 3.450 ( -0.697 -3.160 -2.883) 4.333 3.862 ( -0.597 5.924 2.888) 6.617 4.061 ( -0.034 12.075 0.973) 12.114 4.115 ( -0.680 12.331 2.039) 12.517 4.131 ( -1.498 -2.813 3.041) 4.405 4.285 ( 1.217 5.935 0.211) 6.062 4.376 ( -1.154 -11.470 0.506) 11.539 4.510 ( -0.779 -18.885 0.369) 18.905 4.896 ( -1.497 20.730 2.445) 20.928 5.257 ( 0.203 -16.883 0.104) 16.885 5.806 ( -0.020 0.702 -0.214) 0.734 5.864 ( -0.659 -4.181 1.581) 4.518 6.136 ( 4.428 14.255 -9.001) 17.431 6.266 ( 4.985 -11.681 -8.869) 15.490 6.910 ( 0.416 0.198 0.155) 0.486 6.956 ( -1.181 -5.995 1.725) 6.349 7.563 ( 6.154 7.504 -7.906) 12.517 7.685 ( 4.911 2.841 -8.840) 10.504 7.921 ( 0.109 -0.272 1.580) 1.608 7.957 ( -3.924 -0.220 -0.595) 3.974 8.279 ( -9.302 2.526 9.992) 13.883 8.424 ( 0.025 -4.038 6.578) 7.719 9.249 ( -0.270 8.787 3.526) 9.472 9.416 ( 0.155 -1.366 1.934) 2.373 9.498 ( -2.622 2.293 2.860) 4.507 9.685 ( -2.392 2.325 -0.116) 3.338 9.708 ( 4.605 -5.167 2.135) 7.243 9.785 ( -3.001 -4.839 2.444) 6.196 9.962 ( -1.210 5.157 2.103) 5.700 10.252 ( 1.327 10.111 0.124) 10.198 10.442 ( -1.472 -6.222 -3.858) 7.467 10.484 ( 1.671 -8.503 -0.012) 8.666 10.857 ( -4.833 -12.125 -6.655) 14.651 11.001 ( 7.782 7.576 -2.004) 11.044 12.637 ( -0.396 1.378 -1.779) 2.284 12.696 ( 1.567 -2.691 -0.550) 3.162 12.878 ( 0.207 14.940 -0.600) 14.954 12.987 ( 0.696 0.283 1.668) 1.829 13.205 ( -0.822 -11.176 -3.736) 11.812 13.332 ( 6.387 1.691 -1.303) 6.734 13.403 ( -3.397 1.900 -2.667) 4.718 13.630 ( 0.961 -3.993 -6.786) 7.932 14.388 ( -0.214 12.624 -3.854) 13.201 14.639 ( -2.549 -13.094 -1.932) 13.479 15.039 ( 4.212 -2.897 6.988) 8.658 15.124 ( 4.119 -1.409 8.018) 9.124 15.215 ( -2.960 -3.094 1.411) 4.508 15.437 ( -6.381 1.904 2.887) 7.258 16.375 ( 0.196 3.796 -0.735) 3.871 16.567 ( 0.402 4.027 0.322) 4.060 ======================= Grid point 64 (29/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -0.302 11.182 4.199) 11.948 0.488 ( -0.187 11.385 1.445) 11.478 0.667 ( 1.857 8.336 0.123) 8.541 1.062 ( 0.189 7.466 1.635) 7.646 1.089 ( -0.838 -2.323 1.128) 2.715 1.166 ( 1.510 -2.952 -2.560) 4.189 1.190 ( -0.750 2.885 -0.521) 3.026 1.432 ( 0.049 3.981 -0.123) 3.983 1.530 ( 1.533 4.669 -0.843) 4.986 1.638 ( 0.144 1.488 -2.466) 2.883 1.689 ( 1.063 4.455 -1.837) 4.934 1.707 ( 0.698 0.445 1.128) 1.399 1.749 ( 1.970 -1.144 -2.407) 3.314 1.843 ( 2.121 4.324 -4.002) 6.262 1.864 ( -1.881 4.623 -0.573) 5.024 1.923 ( 1.413 -0.354 -1.533) 2.114 2.012 ( -1.013 0.863 -1.031) 1.684 2.025 ( -1.278 -0.138 -0.125) 1.292 2.115 ( 0.293 -1.218 -0.103) 1.257 2.207 ( -1.462 -0.897 -0.590) 1.814 2.266 ( 2.407 0.050 -0.127) 2.411 2.307 ( -0.447 -9.775 -0.713) 9.811 2.375 ( -0.764 -3.675 -1.744) 4.139 2.461 ( 0.121 -0.802 -0.064) 0.814 2.525 ( 1.851 -0.048 1.198) 2.206 2.574 ( -0.405 -4.856 -1.082) 4.992 2.622 ( 1.017 -0.966 0.556) 1.509 2.688 ( 1.489 -1.852 1.604) 2.867 2.727 ( -1.782 -0.211 0.274) 1.816 2.809 ( 2.600 -4.406 -2.172) 5.558 2.849 ( -0.257 -1.014 -1.030) 1.468 2.890 ( -1.117 -4.396 0.777) 4.602 2.959 ( 0.834 -6.423 0.161) 6.479 2.983 ( -1.033 0.099 -0.225) 1.062 3.043 ( -0.714 -1.912 -3.078) 3.693 3.098 ( 0.211 -1.237 -0.800) 1.488 3.184 ( 0.034 -1.349 2.678) 2.999 3.312 ( 1.253 2.314 -1.655) 3.109 3.336 ( 0.675 -0.878 -2.753) 2.967 3.364 ( -2.422 0.109 -1.222) 2.715 3.459 ( -0.695 -0.158 -3.426) 3.499 3.721 ( 0.156 16.207 1.051) 16.242 3.771 ( 0.194 7.914 4.395) 9.055 4.006 ( -1.044 5.820 3.488) 6.865 4.200 ( 0.212 -2.229 3.630) 4.265 4.230 ( -1.743 -0.126 0.972) 2.000 4.533 ( -1.997 7.623 1.476) 8.017 4.561 ( -0.776 2.224 2.472) 3.415 4.819 ( -0.172 -15.387 0.137) 15.388 5.458 ( 3.595 -3.382 -6.065) 7.820 5.829 ( 0.973 -1.756 -2.172) 2.958 5.932 ( 1.643 3.462 -3.780) 5.383 5.982 ( -0.683 -7.042 3.621) 7.948 6.473 ( 5.306 -11.056 -6.926) 14.084 6.967 ( 1.528 -5.448 -0.752) 5.708 7.093 ( -2.612 -9.386 2.480) 10.053 7.432 ( 6.966 9.368 -7.097) 13.662 7.547 ( 3.421 11.251 -5.203) 12.859 7.896 ( 0.093 3.583 0.114) 3.586 7.950 ( -2.968 -0.576 -9.867) 10.320 8.130 ( -8.975 6.009 9.835) 14.608 8.555 ( 1.068 -4.346 2.470) 5.112 9.111 ( -0.835 7.242 12.715) 14.657 9.425 ( -2.926 1.093 1.040) 3.292 9.472 ( -1.595 0.298 3.754) 4.090 9.619 ( -1.977 2.106 -1.111) 3.095 9.784 ( 3.474 1.030 -0.799) 3.711 9.824 ( -1.116 2.585 1.412) 3.150 9.908 ( 2.103 2.863 4.538) 5.763 10.073 ( -0.871 5.918 -0.754) 6.029 10.413 ( -2.126 8.754 -12.623) 15.507 10.681 ( -1.937 -9.194 -3.034) 9.874 10.743 ( -1.769 -0.416 -3.931) 4.331 11.200 ( 5.522 -12.401 -1.072) 13.617 12.538 ( 0.117 19.713 -0.954) 19.737 12.622 ( 0.470 -0.346 -1.960) 2.045 12.787 ( 0.730 -3.464 1.336) 3.784 12.995 ( 2.696 0.588 2.275) 3.576 13.235 ( 1.496 6.561 -2.716) 7.256 13.319 ( -2.099 3.306 -13.206) 13.774 13.377 ( 0.629 -2.363 -1.539) 2.889 13.533 ( -2.352 7.959 -14.046) 16.315 14.227 ( 0.883 2.704 5.086) 5.827 14.910 ( -4.596 -15.918 4.258) 17.106 15.147 ( -0.678 -1.007 -3.261) 3.479 15.187 ( 8.357 -6.038 -0.160) 10.311 15.388 ( -3.807 -6.083 10.885) 13.038 15.420 ( -1.284 -10.675 10.576) 15.081 16.242 ( -0.186 10.192 -1.752) 10.343 16.454 ( 1.030 9.702 2.795) 10.149 ======================= Grid point 67 (30/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 3.445 -0.000 -0.142) 3.448 0.448 ( -4.507 0.000 7.330) 8.605 0.556 ( 1.061 -0.000 7.354) 7.430 0.811 ( 5.813 -0.000 3.424) 6.747 1.157 ( 1.650 -0.000 -3.658) 4.013 1.222 ( 1.939 -0.000 -2.664) 3.295 1.300 ( 1.361 -0.000 -0.558) 1.471 1.301 ( -0.820 0.000 2.052) 2.210 1.473 ( 1.768 -0.000 -1.079) 2.071 1.573 ( 0.426 -0.000 -0.305) 0.524 1.672 ( 2.560 -0.000 -1.835) 3.149 1.707 ( 1.641 -0.000 -0.497) 1.714 1.769 ( 2.158 -0.000 -1.828) 2.828 1.775 ( 1.984 -0.000 -1.116) 2.277 1.839 ( 2.190 -0.000 -3.325) 3.981 1.883 ( -3.951 0.000 0.643) 4.003 1.888 ( -2.790 0.000 -1.260) 3.062 1.960 ( -4.460 0.000 -0.141) 4.463 2.115 ( 0.219 -0.000 -0.306) 0.376 2.172 ( -1.479 0.000 -0.451) 1.546 2.428 ( 0.534 -0.000 0.165) 0.559 2.440 ( 3.407 -0.000 0.124) 3.409 2.466 ( 4.571 -0.000 -0.674) 4.620 2.501 ( 0.165 -0.000 -0.648) 0.668 2.553 ( -1.694 0.000 0.910) 1.923 2.598 ( -3.186 0.000 -3.626) 4.827 2.601 ( -0.736 0.000 -1.591) 1.753 2.696 ( -2.046 0.000 0.388) 2.082 2.731 ( -2.734 0.000 0.734) 2.831 2.878 ( -0.653 0.000 0.123) 0.665 2.925 ( 4.006 -0.000 -5.374) 6.703 2.959 ( -1.298 0.000 -0.501) 1.391 3.004 ( -0.113 0.000 -2.656) 2.658 3.063 ( -0.749 0.000 0.035) 0.750 3.085 ( 5.162 -0.000 -1.388) 5.346 3.169 ( -0.196 0.000 2.606) 2.614 3.283 ( 1.588 -0.000 0.939) 1.844 3.301 ( 3.395 -0.000 -0.419) 3.421 3.311 ( 5.331 -0.000 -1.730) 5.605 3.346 ( 2.753 -0.000 -0.710) 2.844 3.409 ( 3.918 -0.000 -2.435) 4.613 3.522 ( 2.446 -0.000 0.998) 2.641 3.750 ( -3.516 0.000 0.901) 3.630 3.833 ( -4.313 0.000 8.572) 9.596 4.049 ( -3.413 0.000 2.546) 4.258 4.161 ( -1.364 0.000 1.726) 2.200 4.356 ( -3.504 0.000 2.978) 4.599 4.652 ( -3.070 0.000 1.409) 3.378 5.112 ( 0.483 -0.000 -0.079) 0.489 5.309 ( 5.629 -0.000 -11.096) 12.442 5.896 ( 1.529 -0.000 -3.283) 3.622 6.103 ( 3.054 -0.000 -1.222) 3.289 6.224 ( -3.653 0.000 8.847) 9.571 6.946 ( 15.433 -0.000 -13.425) 20.455 7.092 ( -0.855 0.000 -0.907) 1.246 7.154 ( -0.544 0.000 1.687) 1.772 7.268 ( 5.080 -0.000 -8.476) 9.882 7.350 ( -1.198 0.000 5.062) 5.202 7.405 ( 4.351 -0.000 -9.662) 10.596 7.768 ( 0.675 -0.000 -1.468) 1.616 8.237 ( -7.147 0.000 11.589) 13.616 8.603 ( 1.635 -0.000 -0.324) 1.666 8.885 ( -14.405 0.000 17.321) 22.529 9.170 ( -4.233 0.000 2.402) 4.867 9.455 ( -1.457 0.000 -0.335) 1.495 9.502 ( -3.506 0.000 4.753) 5.906 9.509 ( -0.899 0.000 -0.970) 1.323 9.634 ( -0.956 0.000 0.202) 0.977 9.815 ( 0.050 -0.000 -0.611) 0.613 10.030 ( 0.079 -0.000 -2.719) 2.720 10.164 ( 0.321 -0.000 0.622) 0.700 10.567 ( -3.287 0.000 0.641) 3.349 11.132 ( 0.933 -0.000 0.599) 1.109 11.562 ( 4.252 -0.000 -3.683) 5.625 11.999 ( 0.714 -0.000 -0.044) 0.716 12.568 ( 0.399 -0.000 -1.508) 1.560 12.661 ( 0.886 -0.000 -0.974) 1.317 12.912 ( -1.430 0.000 0.905) 1.692 12.959 ( -2.997 0.000 -1.994) 3.600 13.378 ( 9.734 -0.000 -3.424) 10.319 13.449 ( 6.832 -0.000 1.548) 7.005 13.495 ( 1.495 -0.000 -0.795) 1.694 14.325 ( -5.015 0.000 6.581) 8.274 14.771 ( -9.730 0.000 0.139) 9.731 15.196 ( 3.900 -0.000 -1.504) 4.180 15.550 ( -4.772 0.000 -1.050) 4.887 15.650 ( -0.929 0.000 0.136) 0.939 15.771 ( 1.340 -0.000 0.257) 1.365 15.925 ( 0.691 -0.000 -7.381) 7.413 16.228 ( -3.662 0.000 6.461) 7.427 ======================= Grid point 68 (31/88) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 1.415 -5.075 -0.053) 5.269 0.542 ( -0.345 -4.663 3.214) 5.674 0.685 ( -3.672 -15.080 0.852) 15.544 0.797 ( 3.672 3.616 2.336) 5.658 1.143 ( 1.393 2.307 -3.713) 4.588 1.249 ( 0.783 5.863 0.054) 5.916 1.277 ( -0.131 1.753 0.736) 1.906 1.323 ( 1.077 -6.753 -0.199) 6.841 1.505 ( 0.533 -2.543 -1.671) 3.090 1.584 ( 0.342 -0.412 0.004) 0.536 1.695 ( 3.478 -2.459 -2.215) 4.802 1.725 ( 1.182 -1.062 -1.610) 2.262 1.767 ( 1.027 0.858 -1.057) 1.705 1.789 ( 0.301 2.032 -2.232) 3.034 1.825 ( 2.087 -2.874 0.089) 3.553 1.907 ( -1.584 -4.487 0.209) 4.763 1.910 ( -2.961 -1.821 0.729) 3.552 1.946 ( 0.662 -4.322 -2.236) 4.911 2.105 ( -0.048 1.160 0.170) 1.173 2.187 ( -0.951 -2.060 -1.010) 2.484 2.379 ( 0.759 4.443 -0.333) 4.520 2.406 ( 2.530 3.611 0.332) 4.422 2.453 ( 1.416 5.396 1.015) 5.671 2.479 ( -1.871 2.576 -1.910) 3.713 2.567 ( 1.578 -1.713 -1.557) 2.802 2.579 ( -2.209 0.183 -0.792) 2.353 2.612 ( 0.061 -0.132 -0.905) 0.917 2.658 ( -1.353 1.437 -0.066) 1.975 2.714 ( -1.401 -0.303 1.245) 1.899 2.821 ( -0.568 4.012 -0.788) 4.128 2.894 ( 1.372 2.496 -3.004) 4.140 2.942 ( 0.127 2.081 -1.083) 2.350 3.002 ( -0.212 1.180 -0.800) 1.442 3.048 ( -0.729 1.934 1.080) 2.332 3.095 ( 2.179 3.052 0.594) 3.796 3.170 ( 1.291 -0.249 0.658) 1.470 3.254 ( 5.508 5.827 -0.787) 8.057 3.304 ( 0.446 0.837 0.631) 1.139 3.324 ( 2.590 -0.125 -1.351) 2.924 3.406 ( 1.406 -2.953 0.806) 3.368 3.414 ( 2.372 1.830 -3.189) 4.376 3.534 ( -0.565 -2.318 0.903) 2.551 3.776 ( -1.682 -4.446 1.646) 5.031 3.878 ( -5.050 -5.468 5.403) 9.198 4.080 ( -2.026 -2.969 0.923) 3.712 4.254 ( -2.062 -11.582 4.563) 12.618 4.316 ( -2.253 2.603 2.098) 4.031 4.601 ( -2.450 3.858 1.422) 4.787 5.042 ( 0.474 8.257 0.095) 8.271 5.390 ( 6.003 -8.058 -11.349) 15.158 5.851 ( 0.715 4.234 -2.437) 4.938 6.057 ( 2.357 6.318 -0.616) 6.772 6.163 ( -3.504 7.036 6.765) 10.371 6.834 ( 9.453 12.494 -11.328) 19.334 7.109 ( 1.945 6.694 -4.334) 8.208 7.243 ( 1.273 -2.012 1.506) 2.817 7.312 ( -1.005 -3.532 -1.420) 3.937 7.349 ( 3.856 -10.375 -8.149) 13.745 7.562 ( 3.804 -16.296 -5.368) 17.575 7.832 ( 1.724 -5.872 -0.793) 6.171 8.177 ( -4.850 5.670 11.007) 13.298 8.602 ( -2.656 1.353 3.125) 4.318 8.953 ( -12.707 -10.563 9.848) 19.236 9.158 ( -1.764 -4.211 3.434) 5.713 9.476 ( -0.389 -0.043 0.573) 0.694 9.523 ( -2.794 -4.376 1.253) 5.341 9.584 ( -2.086 -2.750 1.930) 3.955 9.698 ( -0.497 -12.801 0.296) 12.814 9.807 ( 0.142 0.622 -0.255) 0.687 10.046 ( -0.273 -3.154 -1.664) 3.577 10.151 ( -0.051 1.613 0.085) 1.616 10.524 ( -1.972 2.982 1.755) 3.982 11.009 ( 1.112 12.155 -0.090) 12.206 11.527 ( 4.106 5.672 -2.919) 7.586 12.187 ( 0.496 -17.600 -0.142) 17.607 12.628 ( 1.504 -2.349 -1.997) 3.431 12.707 ( -0.828 -8.444 -0.537) 8.502 12.847 ( -1.553 3.823 -0.920) 4.227 12.980 ( -2.526 -3.263 -0.898) 4.223 13.401 ( 3.642 1.168 -2.390) 4.510 13.491 ( 3.458 1.230 1.015) 3.808 13.526 ( 9.107 1.198 0.896) 9.230 14.307 ( -5.527 -0.009 5.441) 7.756 14.732 ( -7.366 -3.544 -2.201) 8.465 15.200 ( 2.675 2.551 0.311) 3.709 15.353 ( -0.603 13.310 -2.890) 13.634 15.553 ( 1.067 11.265 0.935) 11.354 15.692 ( -5.321 5.159 1.364) 7.536 16.058 ( 3.019 -12.068 -3.685) 12.974 16.315 ( -3.187 -8.439 3.184) 9.566 ======================= Grid point 69 (32/88) ======================= q-point: (-0.43 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.992 -4.954 -0.524) 5.080 0.669 ( 0.297 -8.282 -1.542) 8.429 0.748 ( -0.164 -1.565 -1.037) 1.885 0.986 ( -0.795 -8.160 0.397) 8.208 1.059 ( 0.726 6.165 -3.185) 6.977 1.161 ( -0.277 -1.960 1.336) 2.388 1.202 ( -0.397 5.872 2.372) 6.345 1.463 ( 0.775 -6.180 -1.418) 6.388 1.525 ( 0.231 -1.734 -3.566) 3.972 1.587 ( 0.513 0.244 -0.025) 0.569 1.723 ( -0.183 0.969 -2.350) 2.548 1.754 ( -0.206 0.727 -0.500) 0.906 1.788 ( 4.018 -3.987 -2.087) 6.033 1.816 ( 1.286 -5.451 -2.309) 6.058 1.892 ( 0.802 -1.524 -0.092) 1.725 1.893 ( -2.806 -2.879 0.897) 4.119 2.027 ( 1.422 -3.862 -0.443) 4.139 2.061 ( 1.025 -4.155 -0.014) 4.280 2.110 ( 0.516 -6.027 0.683) 6.088 2.173 ( 2.024 3.660 -2.149) 4.702 2.289 ( 0.117 5.849 0.769) 5.901 2.381 ( -1.972 2.362 1.176) 3.294 2.392 ( 2.159 2.468 -1.145) 3.473 2.419 ( 0.583 0.869 -0.070) 1.048 2.488 ( -1.445 3.127 -3.150) 4.668 2.538 ( 0.034 5.312 -1.044) 5.413 2.606 ( -2.321 3.722 0.877) 4.473 2.631 ( 2.678 -0.256 -1.584) 3.122 2.734 ( -0.987 -0.776 2.838) 3.104 2.760 ( -0.124 2.288 -1.312) 2.640 2.845 ( 0.355 2.994 -0.606) 3.076 2.864 ( -2.019 4.852 0.297) 5.264 2.946 ( -0.069 5.887 0.010) 5.888 2.986 ( 0.394 0.803 -0.744) 1.164 3.072 ( 2.075 1.544 0.354) 2.611 3.151 ( -0.613 5.673 -0.404) 5.721 3.199 ( 3.057 2.264 1.373) 4.044 3.311 ( 0.966 -0.732 -0.231) 1.234 3.341 ( 1.578 -1.188 -1.611) 2.549 3.364 ( -0.874 1.177 -1.355) 1.996 3.406 ( 0.881 1.906 0.214) 2.111 3.740 ( -0.255 -17.798 -0.207) 17.801 3.865 ( -0.112 -4.723 1.904) 5.094 3.980 ( -4.862 -7.981 4.084) 10.199 4.117 ( -0.546 -2.727 -0.018) 2.781 4.248 ( -1.131 4.150 1.091) 4.437 4.489 ( -0.568 4.882 1.281) 5.079 4.554 ( -3.237 -17.678 4.881) 18.623 4.835 ( 0.247 15.265 0.360) 15.271 5.471 ( 3.775 4.230 -6.667) 8.752 5.806 ( 1.213 -2.507 -2.849) 3.985 5.961 ( 1.863 3.607 -2.010) 4.530 6.012 ( -1.646 8.746 2.488) 9.240 6.620 ( 6.528 13.087 -11.505) 18.608 6.970 ( 1.095 6.362 -3.527) 7.356 7.119 ( -1.754 9.657 3.980) 10.591 7.468 ( 3.285 -9.243 -9.805) 13.870 7.549 ( 2.657 -11.128 -6.718) 13.267 7.874 ( 6.979 -10.224 -0.852) 12.408 7.943 ( 0.546 -4.571 0.260) 4.611 8.108 ( -5.055 0.709 12.755) 13.738 8.524 ( -7.181 4.416 5.972) 10.331 9.111 ( -6.448 -12.968 -0.378) 14.488 9.337 ( -0.344 -11.251 8.474) 14.089 9.448 ( -0.894 1.648 -0.240) 1.890 9.571 ( -0.453 0.430 0.813) 1.026 9.642 ( -2.474 -7.082 2.874) 8.034 9.785 ( 0.232 1.853 0.254) 1.885 9.989 ( -0.404 -16.726 -0.456) 16.738 10.086 ( -1.061 0.376 -2.253) 2.518 10.152 ( 0.797 -4.892 1.016) 5.060 10.474 ( -0.189 1.024 2.207) 2.440 10.788 ( 1.223 13.024 -0.563) 13.093 11.406 ( 3.233 9.782 -3.149) 10.773 12.540 ( 1.688 -19.396 -0.859) 19.488 12.650 ( 0.791 -2.108 -1.304) 2.601 12.751 ( -1.195 3.969 -1.030) 4.271 12.903 ( -1.106 -9.899 0.071) 9.961 13.014 ( -1.286 -3.380 -2.003) 4.134 13.382 ( 2.445 2.888 -0.975) 3.907 13.509 ( 2.348 -0.420 0.795) 2.514 13.553 ( 7.373 3.479 0.185) 8.154 14.304 ( -3.762 -2.280 4.832) 6.534 14.751 ( -5.539 -5.221 -6.177) 9.802 15.046 ( 0.032 14.412 -1.456) 14.485 15.212 ( 1.096 2.877 2.127) 3.742 15.362 ( 3.527 11.139 2.036) 11.861 15.568 ( -6.478 4.598 2.382) 8.293 16.266 ( 1.728 -9.277 -1.218) 9.514 16.456 ( -2.069 -8.594 0.141) 8.840 ======================= Grid point 70 (33/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.747 -7.542 -2.778) 8.072 0.759 ( 0.452 0.473 -1.425) 1.568 0.813 ( -0.911 -5.471 -0.550) 5.574 0.901 ( 0.904 8.859 -0.179) 8.907 0.956 ( 0.270 1.657 -1.620) 2.333 1.101 ( -1.103 5.373 2.134) 5.886 1.378 ( 0.495 -10.972 0.974) 11.027 1.507 ( 0.982 -2.066 -3.539) 4.214 1.581 ( 2.639 -3.242 -1.700) 4.513 1.613 ( 0.749 -3.230 -2.470) 4.135 1.687 ( -0.697 0.917 -2.394) 2.657 1.727 ( -1.536 1.954 -2.035) 3.213 1.838 ( 0.969 -0.352 0.251) 1.061 1.873 ( -0.338 0.970 -1.310) 1.664 1.926 ( 0.562 -1.989 0.400) 2.105 1.967 ( 2.046 -4.039 -1.170) 4.676 2.030 ( 0.230 1.358 1.185) 1.817 2.083 ( 0.280 2.157 -0.928) 2.365 2.124 ( -0.578 2.233 -0.053) 2.307 2.210 ( -0.612 2.940 1.934) 3.572 2.232 ( -0.321 -1.964 -1.011) 2.232 2.313 ( 2.733 5.463 -2.412) 6.567 2.332 ( -0.475 -0.282 -1.281) 1.395 2.435 ( -1.113 -0.025 -1.166) 1.612 2.473 ( 2.509 0.246 -0.684) 2.612 2.496 ( -0.519 3.975 -0.276) 4.018 2.507 ( -0.243 -4.597 0.364) 4.618 2.653 ( 1.244 -1.198 -0.774) 1.893 2.689 ( -0.716 3.754 0.724) 3.890 2.756 ( -1.191 -1.333 2.961) 3.459 2.788 ( -0.156 1.057 -0.154) 1.080 2.834 ( -0.737 -0.883 -0.634) 1.314 2.859 ( 0.626 2.694 0.240) 2.776 2.975 ( -0.317 4.618 -0.215) 4.634 3.012 ( -0.168 2.048 -0.069) 2.056 3.111 ( 2.124 -1.370 -0.229) 2.538 3.189 ( -0.884 1.134 0.818) 1.654 3.303 ( 0.576 1.898 -2.853) 3.475 3.360 ( 0.400 -3.069 -2.973) 4.292 3.376 ( 1.916 -0.517 -0.877) 2.170 3.400 ( 0.351 0.387 1.630) 1.712 3.917 ( -1.332 -0.538 2.174) 2.606 4.051 ( -1.139 -10.306 1.067) 10.424 4.118 ( -1.841 -13.403 1.844) 13.654 4.163 ( -1.127 4.472 1.220) 4.771 4.219 ( 0.040 -10.767 0.085) 10.767 4.353 ( 0.092 9.284 1.209) 9.363 4.528 ( -0.218 18.621 0.606) 18.632 4.915 ( -1.917 -20.899 3.190) 21.228 5.246 ( 0.051 17.977 -0.010) 17.977 5.823 ( -0.596 0.663 0.135) 0.902 5.876 ( -0.085 5.470 0.821) 5.532 6.062 ( 5.863 -11.449 -8.598) 15.472 6.380 ( 4.609 13.603 -11.176) 18.199 6.904 ( 0.234 0.329 -0.895) 0.982 6.969 ( -1.571 6.349 2.063) 6.858 7.592 ( 3.468 -6.323 -9.758) 12.134 7.668 ( 4.332 -2.136 -9.520) 10.675 7.935 ( 2.554 1.696 3.585) 4.717 7.989 ( 0.144 1.990 0.302) 2.018 8.223 ( -5.428 -6.964 12.956) 15.678 8.421 ( -6.519 2.722 6.672) 9.718 9.268 ( -1.338 -6.914 -1.427) 7.186 9.420 ( -0.405 0.454 3.136) 3.194 9.503 ( -1.850 -2.941 0.660) 3.537 9.601 ( -1.790 -4.829 6.065) 7.957 9.717 ( -2.341 -1.020 0.870) 2.698 9.751 ( 2.218 2.108 2.132) 3.730 10.032 ( -1.276 2.173 -0.405) 2.552 10.232 ( -0.472 -11.182 -1.822) 11.339 10.293 ( 3.186 -5.886 1.638) 6.891 10.559 ( 0.983 1.321 -0.282) 1.671 10.589 ( 0.645 -1.734 -0.880) 2.048 11.211 ( 1.493 11.964 -4.739) 12.955 12.652 ( 1.052 -0.049 -1.736) 2.031 12.681 ( 0.439 1.557 -0.761) 1.788 12.914 ( -0.629 -18.427 -2.003) 18.547 12.990 ( 0.654 -1.640 2.477) 3.042 13.041 ( 0.307 2.063 -2.924) 3.592 13.343 ( 1.298 1.555 -1.927) 2.796 13.500 ( 3.806 5.985 1.216) 7.196 13.561 ( 0.968 -2.310 -2.568) 3.587 14.406 ( 0.215 -8.810 5.616) 10.450 14.637 ( -2.977 12.322 -8.378) 15.195 14.924 ( -0.777 -4.093 -2.575) 4.897 15.184 ( -1.489 1.286 -1.151) 2.279 15.276 ( 4.987 4.629 12.096) 13.878 15.449 ( -6.714 3.847 1.194) 7.830 16.376 ( -0.524 -2.952 -1.077) 3.185 16.570 ( 0.483 -4.225 -0.086) 4.253 ======================= Grid point 71 (34/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 2.299 10.519 1.048) 10.818 0.689 ( 0.320 10.412 -1.642) 10.545 0.790 ( 0.780 2.029 -0.906) 2.355 0.954 ( -0.604 -7.476 0.684) 7.531 1.010 ( 0.824 -5.785 -0.299) 5.851 1.064 ( -1.394 -3.438 -0.623) 3.762 1.424 ( -0.582 6.947 -1.582) 7.149 1.483 ( 1.266 4.435 -1.098) 4.741 1.601 ( 0.612 1.701 -3.798) 4.206 1.644 ( -0.467 1.423 -3.765) 4.052 1.706 ( 1.506 -1.917 -0.502) 2.489 1.718 ( 2.302 -4.121 -0.719) 4.775 1.802 ( 0.556 5.749 1.142) 5.888 1.863 ( -0.136 -1.380 0.150) 1.394 1.910 ( 1.306 2.306 -0.586) 2.715 1.945 ( 0.535 2.406 -1.453) 2.861 2.031 ( 0.496 5.997 -0.835) 6.075 2.068 ( -0.950 -0.712 0.001) 1.187 2.119 ( 0.186 -4.808 -1.001) 4.914 2.142 ( -3.090 2.679 0.026) 4.089 2.209 ( 1.119 1.231 -0.325) 1.695 2.266 ( 1.631 -1.070 -1.756) 2.625 2.351 ( 1.570 0.969 -1.664) 2.484 2.447 ( 0.180 -1.868 -0.062) 1.877 2.469 ( -1.703 -3.326 0.600) 3.784 2.513 ( 2.035 -2.701 -0.733) 3.460 2.607 ( -0.990 -2.910 1.737) 3.531 2.676 ( 1.599 -1.197 1.291) 2.378 2.711 ( 0.368 -3.497 -1.020) 3.661 2.747 ( 0.113 -0.470 0.070) 0.488 2.809 ( -1.872 -2.481 2.064) 3.731 2.848 ( 0.757 -1.290 -1.418) 2.061 2.877 ( -1.381 1.119 1.350) 2.232 2.914 ( -0.418 -5.964 -0.166) 5.981 3.017 ( 0.783 -0.235 -3.090) 3.196 3.115 ( -0.914 2.730 -0.728) 2.970 3.173 ( 0.216 -1.134 1.969) 2.283 3.303 ( 1.453 -1.852 -1.680) 2.892 3.363 ( 1.726 2.486 -0.804) 3.132 3.376 ( -0.115 2.130 -1.591) 2.661 3.410 ( -0.485 -2.304 -3.519) 4.234 3.875 ( -1.105 4.653 3.139) 5.720 4.067 ( -0.262 11.832 0.892) 11.869 4.121 ( -1.014 9.501 2.562) 9.892 4.139 ( -0.911 -1.376 3.036) 3.455 4.284 ( -1.593 6.320 0.298) 6.525 4.366 ( -0.358 -11.043 0.042) 11.049 4.508 ( 0.123 -19.054 0.271) 19.056 4.898 ( -1.077 20.440 2.770) 20.655 5.262 ( 0.195 -17.055 0.046) 17.056 5.807 ( 0.289 0.458 0.014) 0.542 5.870 ( -0.487 -4.436 1.699) 4.775 6.115 ( 3.391 13.230 -9.936) 16.890 6.294 ( 7.128 -11.278 -7.770) 15.439 6.912 ( -0.216 -0.528 -0.003) 0.570 6.952 ( -0.930 -5.539 1.689) 5.865 7.602 ( 6.856 6.431 -7.468) 12.006 7.674 ( 4.160 -0.021 -10.068) 10.894 7.892 ( -2.327 3.502 -2.247) 4.767 7.956 ( 1.565 1.676 2.109) 3.115 8.212 ( -9.232 5.388 9.887) 14.561 8.470 ( -2.453 -6.265 8.756) 11.043 9.288 ( 0.631 4.581 4.596) 6.520 9.427 ( -1.917 1.032 1.646) 2.730 9.486 ( -1.641 1.592 4.029) 4.632 9.630 ( -3.033 1.340 -1.904) 3.823 9.756 ( -2.692 -5.910 2.903) 7.114 9.772 ( 1.063 -1.605 -0.026) 1.925 10.000 ( 1.922 2.440 4.478) 5.449 10.271 ( 0.551 11.869 0.946) 11.919 10.379 ( -2.241 -5.290 -3.711) 6.840 10.513 ( 2.561 -6.783 -1.999) 7.521 10.725 ( -4.580 0.176 -5.195) 6.928 11.075 ( 5.195 -2.777 -4.055) 7.152 12.622 ( 0.869 1.276 -2.389) 2.844 12.713 ( 0.615 -2.186 0.193) 2.279 12.869 ( -0.500 13.373 -1.113) 13.428 13.014 ( 0.454 -1.020 2.596) 2.826 13.192 ( 3.649 -10.012 -4.199) 11.454 13.305 ( -4.751 2.441 -3.482) 6.376 13.423 ( 4.873 4.853 -0.224) 6.881 13.562 ( -0.903 1.735 -8.220) 8.449 14.363 ( -0.464 11.001 -0.425) 11.019 14.655 ( 1.876 -13.821 6.458) 15.370 15.030 ( -0.941 -9.121 -4.696) 10.301 15.137 ( -2.303 0.653 -4.152) 4.792 15.345 ( -5.861 1.892 -0.552) 6.183 15.374 ( 3.635 -3.992 17.900) 18.696 16.357 ( -0.697 3.781 -1.331) 4.069 16.589 ( 0.971 3.205 1.065) 3.514 ======================= Grid point 75 (35/88) ======================= q-point: (-0.57 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -6.841 0.000 1.488) 7.001 0.442 ( 1.131 -0.000 -2.976) 3.184 0.593 ( -3.494 0.000 5.643) 6.637 0.869 ( 0.175 -0.000 -1.699) 1.708 1.156 ( 2.111 -0.000 -3.653) 4.219 1.244 ( 2.478 -0.000 -1.167) 2.739 1.305 ( -1.153 0.000 2.891) 3.113 1.317 ( 1.144 -0.000 -0.103) 1.149 1.481 ( 1.047 -0.000 -1.575) 1.891 1.575 ( 0.189 -0.000 -0.474) 0.511 1.699 ( 2.642 -0.000 -2.022) 3.327 1.715 ( 0.724 -0.000 -2.012) 2.139 1.790 ( 1.787 -0.000 -0.973) 2.035 1.793 ( 0.267 -0.000 -0.463) 0.534 1.834 ( -2.578 0.000 0.205) 2.586 1.838 ( -2.231 0.000 -2.230) 3.154 1.851 ( 1.470 -0.000 0.038) 1.470 1.908 ( -0.088 0.000 -1.420) 1.422 2.116 ( 0.127 -0.000 -0.073) 0.147 2.151 ( -0.448 0.000 0.155) 0.474 2.434 ( 0.191 -0.000 0.370) 0.416 2.465 ( -2.810 0.000 -3.744) 4.681 2.505 ( 4.045 -0.000 -0.754) 4.115 2.533 ( 3.977 -0.000 -0.152) 3.980 2.536 ( -0.555 0.000 0.868) 1.030 2.547 ( -0.575 0.000 1.832) 1.920 2.602 ( 1.080 -0.000 0.009) 1.080 2.665 ( -2.377 0.000 1.213) 2.669 2.709 ( -0.142 0.000 -0.437) 0.460 2.869 ( -0.497 0.000 0.166) 0.524 2.939 ( 3.016 -0.000 -4.017) 5.024 2.947 ( 0.257 -0.000 -0.873) 0.910 2.994 ( 1.579 -0.000 -2.445) 2.910 3.052 ( -0.789 0.000 0.260) 0.830 3.133 ( 1.176 -0.000 1.484) 1.893 3.172 ( -1.621 0.000 2.028) 2.597 3.309 ( 0.088 -0.000 0.502) 0.509 3.314 ( 0.173 -0.000 0.665) 0.687 3.361 ( 2.443 -0.000 -1.543) 2.890 3.395 ( 2.621 -0.000 -1.329) 2.938 3.441 ( 3.290 -0.000 -3.805) 5.030 3.595 ( 5.175 -0.000 1.740) 5.460 3.709 ( -2.525 0.000 1.280) 2.831 3.810 ( -6.134 0.000 5.836) 8.467 4.029 ( -1.989 0.000 3.090) 3.675 4.162 ( -1.069 0.000 2.932) 3.121 4.327 ( -2.865 0.000 1.627) 3.295 4.624 ( -1.914 0.000 1.674) 2.543 5.120 ( 0.401 -0.000 0.182) 0.440 5.303 ( 5.863 -0.000 -11.568) 12.970 5.892 ( 1.443 -0.000 -2.874) 3.216 6.137 ( 1.727 -0.000 0.512) 1.801 6.233 ( -4.426 0.000 8.003) 9.145 7.028 ( 10.450 -0.000 -16.799) 19.784 7.071 ( -0.338 0.000 -1.587) 1.623 7.146 ( -1.270 0.000 0.082) 1.272 7.269 ( 4.770 -0.000 -10.016) 11.094 7.366 ( -1.757 0.000 5.010) 5.309 7.384 ( 3.871 -0.000 -10.188) 10.899 7.778 ( 1.575 -0.000 -0.442) 1.636 8.236 ( -6.059 0.000 12.471) 13.865 8.606 ( 0.119 -0.000 -2.010) 2.014 8.801 ( -15.701 0.000 16.264) 22.606 9.123 ( -0.840 0.000 -3.203) 3.312 9.451 ( -0.687 0.000 2.660) 2.747 9.496 ( -1.897 0.000 4.491) 4.875 9.507 ( -0.113 0.000 2.727) 2.729 9.617 ( -0.888 0.000 -0.568) 1.054 9.814 ( 0.357 -0.000 -0.275) 0.451 10.012 ( 0.895 -0.000 -1.871) 2.074 10.168 ( 0.302 -0.000 -0.052) 0.306 10.554 ( -0.612 0.000 3.294) 3.351 11.142 ( -0.049 0.000 -0.038) 0.062 11.591 ( 2.478 -0.000 -2.644) 3.624 12.009 ( 0.356 -0.000 0.255) 0.438 12.566 ( 0.855 -0.000 -1.295) 1.552 12.666 ( 0.691 -0.000 -0.792) 1.051 12.891 ( -1.343 0.000 -0.319) 1.381 12.913 ( -0.693 0.000 -1.466) 1.621 13.430 ( 2.918 -0.000 -1.214) 3.161 13.509 ( 0.906 -0.000 -0.663) 1.123 13.642 ( 10.355 -0.000 5.722) 11.831 14.277 ( -6.724 0.000 5.206) 8.503 14.632 ( -6.037 0.000 -5.283) 8.022 15.244 ( 4.068 -0.000 -1.600) 4.371 15.477 ( -4.904 0.000 1.632) 5.168 15.644 ( -0.216 0.000 0.580) 0.619 15.785 ( 0.297 -0.000 -0.144) 0.330 15.889 ( 2.802 -0.000 -6.650) 7.216 16.216 ( -3.451 0.000 3.307) 4.780 ======================= Grid point 76 (36/88) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.772 -8.214 -2.217) 8.543 0.524 ( -3.217 -6.610 0.769) 7.392 0.628 ( -3.646 -9.725 -0.959) 10.430 0.817 ( -2.755 -0.292 -0.197) 2.777 1.139 ( 2.232 2.786 -3.911) 5.295 1.256 ( 0.018 6.360 0.249) 6.365 1.282 ( -0.384 1.461 1.427) 2.078 1.341 ( 1.103 -5.545 0.536) 5.679 1.491 ( 0.085 -1.012 -2.388) 2.595 1.594 ( 0.595 -0.974 0.086) 1.144 1.711 ( 1.660 -1.959 -3.695) 4.499 1.726 ( 0.801 -1.541 -1.951) 2.612 1.757 ( -1.441 1.969 -1.718) 2.984 1.794 ( 2.984 -0.651 -1.921) 3.608 1.822 ( -3.005 -1.800 1.276) 3.728 1.889 ( 0.826 -1.147 0.722) 1.587 1.911 ( 0.158 -7.113 0.085) 7.115 1.944 ( 2.022 -4.891 -2.212) 5.737 2.106 ( 0.016 0.982 0.314) 1.031 2.184 ( 0.986 -2.533 -0.095) 2.720 2.379 ( -0.238 5.049 -0.093) 5.055 2.403 ( -2.438 2.484 -3.086) 4.652 2.462 ( 1.265 4.515 0.860) 4.767 2.494 ( 2.110 3.384 1.470) 4.250 2.543 ( 0.764 2.939 0.671) 3.110 2.598 ( -0.776 0.906 0.255) 1.220 2.617 ( 1.448 -1.213 -0.984) 2.130 2.659 ( 2.273 0.591 0.293) 2.367 2.711 ( 0.363 -0.999 0.290) 1.102 2.818 ( 0.860 3.975 -0.375) 4.084 2.897 ( 1.143 4.073 -1.203) 4.398 2.936 ( 1.049 1.664 -2.463) 3.153 2.993 ( -0.357 0.738 -0.035) 0.821 3.028 ( -1.699 3.976 0.297) 4.334 3.134 ( 0.676 2.235 2.542) 3.452 3.180 ( -0.471 -1.159 0.464) 1.334 3.295 ( -0.133 2.028 -0.401) 2.072 3.315 ( 1.505 0.487 -0.552) 1.676 3.352 ( -0.233 1.008 -1.169) 1.561 3.418 ( 2.323 2.623 -0.899) 3.617 3.437 ( 1.845 -1.223 -1.552) 2.704 3.536 ( 0.061 2.768 1.538) 3.167 3.769 ( -0.737 -6.060 1.111) 6.205 3.832 ( -5.744 -5.376 4.630) 9.129 4.072 ( -0.276 -2.928 1.419) 3.265 4.259 ( -2.380 -10.355 4.250) 11.443 4.295 ( -1.943 1.021 1.182) 2.493 4.588 ( -0.674 3.620 1.667) 4.042 5.049 ( 0.152 8.277 0.319) 8.285 5.388 ( 6.173 -8.524 -11.518) 15.602 5.846 ( 1.221 4.540 -2.113) 5.154 6.082 ( 0.924 6.773 0.471) 6.852 6.156 ( -4.015 7.393 5.511) 10.057 6.844 ( 5.196 12.661 -13.501) 19.224 7.095 ( 1.857 7.802 -5.807) 9.902 7.264 ( 2.288 -13.055 -5.349) 14.293 7.281 ( -2.618 5.395 2.298) 6.421 7.335 ( 2.568 -8.624 -5.905) 10.763 7.594 ( 4.429 -19.835 -1.804) 20.404 7.859 ( 2.220 -6.471 -0.407) 6.854 8.203 ( -3.873 4.578 11.230) 12.730 8.563 ( -5.330 3.395 2.525) 6.805 8.833 ( -10.900 -10.241 5.506) 15.938 9.171 ( 0.701 -8.290 1.242) 8.412 9.471 ( -1.811 1.300 1.888) 2.921 9.517 ( -0.163 -5.567 3.340) 6.494 9.580 ( -0.483 0.108 0.795) 0.937 9.706 ( 0.701 -13.537 1.723) 13.664 9.812 ( 0.510 0.529 0.105) 0.742 10.048 ( 2.162 -3.514 -1.081) 4.265 10.148 ( 0.292 2.496 -0.224) 2.523 10.542 ( 0.860 2.914 4.128) 5.126 11.015 ( -0.129 11.635 -0.338) 11.640 11.545 ( 1.009 5.377 -2.950) 6.216 12.192 ( 0.121 -17.588 0.041) 17.588 12.639 ( 1.782 -2.867 -1.671) 3.767 12.697 ( 0.007 -7.182 -0.412) 7.193 12.823 ( -0.006 3.752 -1.612) 4.084 12.956 ( 0.407 -2.906 -0.668) 3.009 13.435 ( 2.010 1.345 -0.010) 2.418 13.510 ( 0.542 -0.027 -0.472) 0.720 13.710 ( 9.036 3.924 5.385) 11.227 14.263 ( -6.012 -1.360 7.508) 9.714 14.589 ( -5.436 -3.557 -9.857) 11.805 15.238 ( 2.210 4.478 0.153) 4.996 15.338 ( 0.556 10.642 -0.449) 10.666 15.569 ( -1.552 7.031 1.199) 7.299 15.634 ( -1.885 9.276 0.324) 9.471 16.077 ( 2.682 -12.677 -2.518) 13.200 16.279 ( -3.293 -8.060 0.522) 8.722 ======================= Grid point 77 (37/88) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -1.848 -5.104 -0.340) 5.439 0.638 ( -1.933 -8.713 -1.846) 9.114 0.705 ( -2.881 -4.870 -2.547) 6.205 0.988 ( 0.639 -8.517 -0.393) 8.550 1.059 ( 2.782 6.250 -3.109) 7.515 1.159 ( -1.138 -2.418 0.942) 2.834 1.211 ( -1.104 5.906 2.397) 6.469 1.457 ( 0.140 -4.202 -1.377) 4.424 1.506 ( 0.986 -3.838 -2.801) 4.853 1.602 ( 1.527 0.469 -0.293) 1.624 1.695 ( -0.512 1.823 -2.588) 3.206 1.736 ( -0.752 0.195 -1.658) 1.831 1.801 ( 0.317 -4.976 -3.259) 5.957 1.823 ( 0.288 -3.207 -0.340) 3.238 1.877 ( 1.943 -3.154 -0.267) 3.714 1.920 ( 2.204 -1.954 0.687) 3.024 2.034 ( -0.602 -4.686 -0.639) 4.767 2.060 ( -1.015 -6.308 -0.357) 6.399 2.095 ( -1.922 -1.599 0.519) 2.553 2.196 ( 1.653 3.076 -0.636) 3.550 2.311 ( 0.896 4.891 -1.426) 5.173 2.337 ( -0.500 2.616 0.559) 2.722 2.390 ( -2.501 -1.046 -0.114) 2.714 2.437 ( 2.328 5.207 0.249) 5.709 2.513 ( 3.958 2.340 -0.405) 4.616 2.532 ( 0.679 5.608 -1.008) 5.738 2.583 ( -1.750 3.693 0.808) 4.166 2.671 ( 3.365 1.543 -0.841) 3.796 2.734 ( -1.292 0.038 1.696) 2.132 2.772 ( 2.151 1.746 -0.352) 2.793 2.819 ( -1.655 2.521 -1.565) 3.398 2.849 ( -0.120 6.744 -0.687) 6.780 2.943 ( 0.049 3.853 -0.154) 3.856 2.990 ( 0.865 0.225 -0.156) 0.907 3.099 ( 0.242 2.909 1.055) 3.104 3.131 ( -1.783 4.292 0.909) 4.735 3.231 ( -0.331 4.467 0.303) 4.489 3.318 ( -0.843 0.053 -2.909) 3.029 3.334 ( 1.765 -0.958 -0.914) 2.207 3.365 ( 1.016 2.008 1.236) 2.567 3.434 ( 2.301 0.260 0.131) 2.319 3.731 ( -0.410 -18.154 -0.490) 18.165 3.855 ( -3.918 -4.664 1.507) 6.275 3.952 ( -1.806 -8.618 3.548) 9.493 4.120 ( 0.780 -2.540 0.334) 2.677 4.231 ( -1.850 3.192 0.539) 3.729 4.502 ( 0.626 6.546 1.578) 6.763 4.547 ( -2.619 -19.121 4.456) 19.807 4.839 ( -0.235 15.311 0.458) 15.319 5.475 ( 3.646 4.454 -6.457) 8.650 5.807 ( 1.992 -2.590 -2.842) 4.330 5.969 ( 0.981 4.263 -1.334) 4.573 6.002 ( -1.919 7.460 1.743) 7.898 6.595 ( 3.550 12.873 -12.775) 18.480 6.953 ( 0.937 5.630 -4.046) 6.996 7.116 ( -2.612 9.981 3.972) 11.055 7.434 ( 3.191 -8.861 -10.282) 13.944 7.531 ( 2.570 -10.966 -6.905) 13.212 7.928 ( -0.902 -7.659 1.457) 7.848 8.035 ( 9.158 -8.340 3.983) 13.011 8.129 ( -4.965 2.817 10.463) 11.919 8.452 ( -8.238 4.087 5.827) 10.887 9.023 ( -4.212 -15.515 -0.495) 16.084 9.385 ( -0.816 -9.914 5.369) 11.304 9.445 ( -0.519 1.110 1.479) 1.920 9.570 ( 0.213 -0.542 0.286) 0.649 9.645 ( -0.237 -6.026 2.038) 6.365 9.802 ( 1.392 0.630 0.510) 1.611 9.967 ( -1.029 -11.690 -2.033) 11.910 10.097 ( 0.394 1.653 1.094) 2.022 10.191 ( 6.293 -9.702 1.011) 11.608 10.521 ( 2.640 1.744 3.830) 4.967 10.791 ( -0.367 12.631 -0.490) 12.646 11.391 ( -1.306 10.152 -4.441) 11.157 12.549 ( 0.185 -21.165 -0.594) 21.174 12.652 ( 0.857 -0.099 -1.066) 1.371 12.734 ( 0.533 3.726 -1.676) 4.120 12.904 ( 1.148 -9.787 -1.085) 9.913 13.013 ( 3.102 -2.629 -0.935) 4.172 13.408 ( 0.879 3.365 0.346) 3.495 13.519 ( -0.263 -1.033 -0.699) 1.275 13.682 ( 6.804 7.890 2.500) 10.715 14.317 ( -1.441 -4.734 10.437) 11.551 14.585 ( -6.049 -5.694 -12.173) 14.738 15.047 ( 0.641 14.454 -0.991) 14.502 15.231 ( 2.078 4.644 -0.957) 5.177 15.438 ( -1.088 6.138 4.105) 7.464 15.480 ( -4.519 5.991 2.329) 7.857 16.268 ( -0.127 -7.999 -1.221) 8.092 16.435 ( -0.274 -10.350 -0.806) 10.384 ======================= Grid point 78 (38/88) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -0.873 -7.631 -2.425) 8.055 0.748 ( -0.638 -3.985 -0.907) 4.136 0.785 ( -1.468 -5.491 -0.506) 5.706 0.912 ( 1.312 8.137 -1.738) 8.423 0.976 ( 3.247 3.110 -0.276) 4.505 1.090 ( -2.352 5.678 1.828) 6.412 1.400 ( 1.767 -10.882 0.100) 11.025 1.488 ( 0.146 -2.758 -3.049) 4.114 1.604 ( 2.466 -3.489 -2.842) 5.131 1.620 ( 1.991 -2.209 -0.309) 2.990 1.659 ( -0.151 -0.916 -1.863) 2.082 1.692 ( -0.185 3.312 -2.123) 3.938 1.843 ( 0.173 -0.684 -1.374) 1.545 1.852 ( -0.819 0.500 -0.595) 1.129 1.944 ( 1.248 -3.182 -0.323) 3.434 1.996 ( 1.394 -2.477 0.662) 2.918 2.037 ( -0.012 2.334 0.094) 2.336 2.073 ( 0.169 0.470 -1.265) 1.360 2.119 ( 0.121 5.149 0.311) 5.160 2.153 ( -5.104 -1.295 1.230) 5.407 2.244 ( 0.358 -0.167 -1.525) 1.575 2.286 ( -0.449 2.562 -2.135) 3.365 2.367 ( 2.440 1.122 0.370) 2.711 2.416 ( -0.210 2.074 -0.836) 2.246 2.484 ( -0.552 4.975 0.290) 5.014 2.515 ( 1.168 -2.482 0.001) 2.743 2.521 ( 2.643 -2.283 -0.406) 3.516 2.662 ( 0.734 -0.015 0.851) 1.124 2.706 ( 0.833 1.743 -0.091) 1.934 2.743 ( -1.653 1.609 0.278) 2.323 2.802 ( 0.465 -0.033 -0.979) 1.084 2.811 ( 0.523 -2.722 0.222) 2.781 2.864 ( -0.281 3.351 -0.004) 3.363 2.970 ( -1.351 7.207 1.958) 7.589 3.009 ( 1.131 -0.199 -1.538) 1.919 3.135 ( 0.092 -0.451 -0.025) 0.460 3.164 ( -1.573 1.022 -0.191) 1.885 3.295 ( 0.945 0.651 -2.234) 2.512 3.355 ( 1.894 -0.944 -2.368) 3.176 3.383 ( 0.016 -1.180 -0.206) 1.198 3.438 ( 2.417 2.230 0.604) 3.344 3.892 ( -3.877 -2.023 2.306) 4.944 4.048 ( -0.395 -10.941 1.017) 10.995 4.108 ( -1.204 -13.617 1.692) 13.774 4.151 ( -1.632 3.188 1.229) 3.787 4.230 ( 1.150 -8.759 0.089) 8.834 4.370 ( 0.449 9.550 1.352) 9.656 4.527 ( -0.513 18.490 0.645) 18.508 4.910 ( -1.958 -20.991 2.780) 21.264 5.250 ( 0.361 17.725 0.015) 17.728 5.815 ( -0.432 0.659 -0.095) 0.793 5.876 ( -0.823 4.591 0.833) 4.738 6.092 ( 6.553 -12.108 -7.856) 15.851 6.341 ( 2.983 12.788 -11.623) 17.537 6.899 ( 0.288 -0.337 -0.963) 1.061 6.961 ( -1.572 6.316 2.139) 6.851 7.563 ( 3.528 -7.630 -9.753) 12.876 7.663 ( 4.937 -3.358 -8.728) 10.575 7.944 ( -1.332 2.700 -0.034) 3.011 8.034 ( 0.527 4.617 3.084) 5.577 8.248 ( -3.801 -0.992 11.934) 12.564 8.389 ( -5.776 -2.793 8.444) 10.605 9.248 ( -0.864 -10.143 0.319) 10.185 9.433 ( -1.101 0.352 0.446) 1.239 9.488 ( -1.330 -3.350 3.915) 5.322 9.592 ( -1.685 0.470 1.249) 2.150 9.706 ( -1.008 -2.019 2.294) 3.218 9.802 ( 1.449 3.055 1.187) 3.584 10.017 ( -1.491 -1.742 0.431) 2.333 10.218 ( 0.894 -10.490 -1.857) 10.691 10.374 ( 4.023 -1.427 2.243) 4.822 10.566 ( -0.905 11.463 -1.104) 11.552 10.633 ( 6.684 -8.405 2.232) 10.969 11.150 ( -2.642 10.660 -7.154) 13.107 12.655 ( 1.130 1.209 -1.177) 2.030 12.682 ( 0.396 0.253 -1.347) 1.426 12.881 ( -1.008 -15.104 -0.359) 15.142 12.993 ( -0.923 0.373 -1.819) 2.074 13.096 ( 7.437 -3.439 -0.436) 8.205 13.329 ( -1.544 5.152 -1.308) 5.535 13.526 ( -1.416 -0.317 -1.905) 2.395 13.582 ( 4.533 7.724 -0.551) 8.973 14.500 ( 3.646 -6.277 2.118) 7.562 14.537 ( -2.711 2.065 3.919) 5.194 14.870 ( -1.270 0.048 -7.745) 7.849 15.157 ( -0.527 4.036 -0.657) 4.123 15.342 ( -6.032 3.031 -1.491) 6.914 15.426 ( 0.396 0.770 11.564) 11.597 16.355 ( -0.312 -2.775 -0.861) 2.922 16.580 ( 0.559 -5.055 -0.373) 5.099 ======================= Grid point 83 (39/88) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( -7.801 0.000 -2.033) 8.061 0.435 ( 1.345 -0.000 -2.867) 3.167 0.539 ( -8.014 0.000 3.336) 8.681 0.784 ( -8.206 0.000 -3.185) 8.802 1.161 ( 2.469 -0.000 -3.587) 4.354 1.261 ( 0.524 -0.000 -0.617) 0.809 1.319 ( -0.563 0.000 3.400) 3.446 1.336 ( 1.300 -0.000 0.097) 1.304 1.481 ( 0.474 -0.000 -1.559) 1.629 1.571 ( -0.027 0.000 -0.684) 0.685 1.699 ( -0.142 0.000 -2.650) 2.654 1.706 ( 0.532 -0.000 -3.007) 3.054 1.780 ( -2.796 0.000 0.624) 2.865 1.786 ( 2.864 -0.000 -5.387) 6.101 1.801 ( 0.458 -0.000 -1.242) 1.324 1.816 ( 0.601 -0.000 0.623) 0.866 1.889 ( 2.237 -0.000 0.485) 2.289 1.936 ( 3.484 -0.000 0.136) 3.486 2.116 ( 0.121 -0.000 -0.578) 0.590 2.164 ( 1.322 -0.000 0.648) 1.472 2.388 ( -2.529 0.000 -3.287) 4.147 2.438 ( -0.741 0.000 1.091) 1.319 2.522 ( 0.199 -0.000 0.161) 0.256 2.549 ( -2.330 0.000 0.135) 2.334 2.569 ( 1.089 -0.000 2.378) 2.615 2.581 ( 2.124 -0.000 0.783) 2.264 2.640 ( 4.178 -0.000 -0.379) 4.195 2.674 ( 2.126 -0.000 1.777) 2.771 2.730 ( 3.417 -0.000 0.110) 3.418 2.868 ( 0.194 -0.000 0.061) 0.204 2.948 ( 1.186 -0.000 -2.474) 2.743 2.950 ( 1.266 -0.000 -1.007) 1.617 3.001 ( 1.850 -0.000 -2.620) 3.207 3.044 ( -0.501 0.000 0.179) 0.532 3.148 ( -1.268 0.000 2.074) 2.431 3.168 ( -1.155 0.000 2.606) 2.850 3.284 ( -2.349 0.000 -0.063) 2.350 3.330 ( 0.338 -0.000 0.452) 0.565 3.351 ( -1.848 0.000 -1.655) 2.480 3.410 ( 1.446 -0.000 -1.740) 2.263 3.445 ( 1.845 -0.000 -4.753) 5.099 3.686 ( 2.511 -0.000 2.908) 3.842 3.708 ( 1.402 -0.000 2.580) 2.936 3.751 ( -6.918 0.000 5.028) 8.552 4.042 ( 0.071 -0.000 3.308) 3.309 4.175 ( -0.562 0.000 3.158) 3.207 4.292 ( -2.943 0.000 0.986) 3.104 4.626 ( 0.321 -0.000 1.735) 1.764 5.125 ( -0.101 0.000 0.314) 0.330 5.299 ( 6.119 -0.000 -11.614) 13.127 5.895 ( 2.078 -0.000 -2.915) 3.580 6.167 ( 0.367 -0.000 3.184) 3.206 6.219 ( -4.703 0.000 5.791) 7.460 6.989 ( 4.485 -0.000 -18.921) 19.445 7.060 ( 1.124 -0.000 -2.426) 2.673 7.122 ( -1.254 0.000 -0.799) 1.487 7.249 ( 2.384 -0.000 -7.426) 7.799 7.361 ( 3.589 -0.000 -8.801) 9.505 7.380 ( -1.923 0.000 4.724) 5.100 7.803 ( 1.796 -0.000 -0.403) 1.841 8.256 ( -4.794 0.000 12.351) 13.249 8.577 ( -1.061 0.000 -2.728) 2.927 8.656 ( -17.248 0.000 10.699) 20.297 9.098 ( 1.855 -0.000 -4.740) 5.090 9.466 ( -1.104 0.000 4.092) 4.238 9.524 ( 0.557 -0.000 4.253) 4.289 9.547 ( 0.922 -0.000 4.298) 4.396 9.603 ( 0.080 -0.000 -0.488) 0.494 9.820 ( 0.550 -0.000 -0.085) 0.557 10.027 ( 2.390 -0.000 -1.510) 2.827 10.185 ( 2.141 -0.000 -0.019) 2.141 10.597 ( 1.562 -0.000 4.665) 4.920 11.132 ( -0.910 0.000 -0.338) 0.971 11.583 ( -0.607 0.000 -3.426) 3.480 12.013 ( -0.243 0.000 0.387) 0.457 12.572 ( 1.192 -0.000 -1.112) 1.630 12.668 ( 0.499 -0.000 -0.879) 1.011 12.870 ( -0.627 0.000 -0.780) 1.001 12.919 ( 3.018 -0.000 -1.431) 3.341 13.461 ( 1.114 -0.000 0.606) 1.268 13.510 ( 0.003 -0.000 -0.651) 0.651 13.846 ( 8.828 -0.000 6.788) 11.136 14.233 ( -6.802 0.000 10.965) 12.903 14.468 ( -4.873 0.000 -14.805) 15.586 15.308 ( 4.376 -0.000 1.172) 4.530 15.426 ( -2.627 0.000 1.161) 2.872 15.652 ( 0.387 -0.000 0.870) 0.953 15.778 ( -0.865 0.000 -0.413) 0.959 15.902 ( 3.922 -0.000 -3.462) 5.231 16.170 ( -4.155 0.000 -0.545) 4.190 ======================= Grid point 84 (40/88) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -4.286 -11.994 0.489) 12.746 0.477 ( -4.606 -4.367 1.989) 6.652 0.558 ( -2.029 -8.444 -4.236) 9.662 0.717 ( -8.279 -7.907 -0.995) 11.492 1.147 ( 2.962 2.625 -3.865) 5.532 1.256 ( -0.597 6.763 0.698) 6.825 1.290 ( -0.090 1.493 1.171) 1.900 1.360 ( 0.128 -4.270 1.162) 4.427 1.470 ( -0.385 -0.307 -2.176) 2.231 1.601 ( 0.581 -2.253 -0.705) 2.431 1.699 ( -0.698 -1.226 -2.222) 2.633 1.706 ( -0.892 -1.727 -2.208) 2.942 1.722 ( 1.450 1.407 -3.340) 3.903 1.805 ( 0.341 0.379 -0.107) 0.521 1.832 ( 3.762 -3.256 -2.905) 5.761 1.874 ( -1.742 -5.472 0.554) 5.770 1.944 ( 2.274 -1.767 0.579) 2.937 1.970 ( 2.642 -2.241 -0.448) 3.494 2.112 ( 0.392 0.510 0.252) 0.691 2.208 ( 1.871 -2.582 -0.139) 3.192 2.331 ( -2.274 2.217 -2.357) 3.955 2.397 ( 0.860 3.447 0.196) 3.558 2.464 ( -1.800 5.315 1.661) 5.852 2.537 ( 1.875 3.971 1.014) 4.507 2.565 ( -2.345 -1.261 0.235) 2.673 2.580 ( 0.795 2.850 0.759) 3.055 2.640 ( 2.597 2.354 -1.294) 3.736 2.703 ( 2.184 -0.369 0.515) 2.274 2.746 ( 3.695 2.159 0.200) 4.284 2.836 ( 1.952 3.407 -1.190) 4.103 2.895 ( -0.285 5.337 -1.434) 5.534 2.946 ( 3.110 1.536 -2.562) 4.312 2.994 ( 0.017 -0.764 1.163) 1.392 3.013 ( -0.970 5.780 1.391) 6.024 3.150 ( -0.807 1.728 1.418) 2.376 3.163 ( -2.493 0.011 0.851) 2.634 3.274 ( -3.163 -0.169 -0.332) 3.185 3.301 ( -2.308 2.894 -0.160) 3.705 3.329 ( 1.085 -1.282 -1.845) 2.495 3.437 ( 2.095 -0.691 -3.272) 3.946 3.445 ( 0.392 -3.861 -0.435) 3.905 3.567 ( 0.689 9.602 3.061) 10.102 3.736 ( -5.376 -3.971 2.421) 7.108 3.821 ( 0.345 -7.542 2.886) 8.083 4.093 ( 1.119 -2.486 1.615) 3.169 4.244 ( -2.908 -1.940 2.689) 4.411 4.287 ( -1.249 -6.961 2.764) 7.593 4.608 ( 1.191 3.582 1.648) 4.119 5.050 ( -0.422 8.297 0.297) 8.313 5.388 ( 6.019 -8.715 -11.230) 15.437 5.852 ( 1.937 4.452 -2.589) 5.502 6.094 ( -0.437 7.829 1.210) 7.934 6.131 ( -4.560 7.321 4.528) 9.741 6.780 ( 2.202 11.806 -14.302) 18.675 7.072 ( 1.258 8.484 -5.290) 10.077 7.242 ( 0.746 -5.271 -3.340) 6.284 7.254 ( 1.450 -6.956 -6.694) 9.762 7.343 ( 0.721 -2.842 1.021) 3.105 7.683 ( 5.762 -23.867 4.428) 24.949 7.893 ( 2.705 -8.897 -0.241) 9.303 8.244 ( -1.679 3.713 8.504) 9.430 8.481 ( -8.878 3.904 5.223) 11.016 8.719 ( -6.459 -12.875 0.793) 14.426 9.197 ( 2.424 -11.253 -0.805) 11.539 9.467 ( -1.676 1.130 3.824) 4.325 9.545 ( 0.718 -2.952 1.526) 3.400 9.587 ( 0.579 -0.628 1.046) 1.351 9.741 ( 1.386 -11.315 1.626) 11.515 9.823 ( 0.613 -0.111 0.304) 0.693 10.074 ( 1.645 -3.736 -1.487) 4.344 10.188 ( 5.126 1.153 1.095) 5.367 10.608 ( 2.718 2.476 4.271) 5.636 11.001 ( -1.264 11.405 -0.338) 11.480 11.502 ( -2.578 5.976 -4.540) 7.936 12.191 ( -0.207 -17.608 0.029) 17.610 12.650 ( 1.273 -1.629 -1.615) 2.624 12.704 ( 1.594 -8.552 -0.651) 8.724 12.819 ( 1.259 3.229 -1.800) 3.905 12.985 ( 4.016 -3.387 -0.662) 5.295 13.456 ( 0.069 1.425 0.859) 1.666 13.505 ( -0.588 0.062 -0.670) 0.894 13.882 ( 8.339 5.901 1.851) 10.383 14.282 ( -5.389 -4.649 18.639) 19.952 14.382 ( -4.418 -2.733 -18.667) 19.377 15.273 ( -0.236 8.201 3.323) 8.852 15.371 ( 4.105 6.499 0.423) 7.699 15.513 ( -3.610 9.953 -2.340) 10.843 15.638 ( -0.837 9.498 2.345) 9.819 16.095 ( 1.389 -11.290 -1.323) 11.452 16.224 ( -2.826 -10.237 -1.832) 10.777 ======================= Grid point 85 (41/88) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -4.908 -6.839 0.492) 8.432 0.579 ( -5.884 -8.806 1.650) 10.718 0.649 ( 0.463 -7.915 -4.262) 9.001 0.999 ( 1.599 -11.249 -0.704) 11.384 1.087 ( 3.216 4.764 -2.242) 6.169 1.149 ( -0.896 -1.936 0.864) 2.301 1.208 ( -1.093 5.658 1.159) 5.878 1.448 ( -0.119 -2.753 -0.771) 2.861 1.506 ( 1.185 -5.532 -1.528) 5.860 1.628 ( 2.537 -0.204 -1.163) 2.798 1.670 ( -0.057 1.548 -1.718) 2.313 1.714 ( -0.067 -0.493 -1.729) 1.800 1.771 ( -0.463 -3.985 -2.436) 4.693 1.826 ( 1.200 -3.125 -1.290) 3.588 1.912 ( 2.883 -1.924 -2.542) 4.298 1.969 ( 1.755 -4.249 1.945) 4.992 1.985 ( -3.839 -6.102 0.276) 7.215 2.039 ( -0.423 -3.331 -0.819) 3.456 2.086 ( -0.214 3.070 0.646) 3.145 2.211 ( 0.974 3.180 -0.044) 3.326 2.287 ( -0.614 3.227 -2.473) 4.112 2.345 ( -2.095 5.003 0.938) 5.505 2.379 ( 1.119 -0.742 1.071) 1.718 2.464 ( 1.084 4.433 -0.724) 4.621 2.534 ( 1.539 2.847 -0.501) 3.275 2.551 ( -1.199 1.236 -0.769) 1.886 2.582 ( 2.127 5.310 0.239) 5.725 2.701 ( 0.711 3.633 0.590) 3.749 2.734 ( -1.226 -1.134 0.575) 1.766 2.774 ( 1.399 4.095 -2.876) 5.196 2.817 ( 1.733 1.634 -0.042) 2.382 2.853 ( 1.628 7.158 -0.479) 7.356 2.946 ( 0.914 3.238 -0.817) 3.462 3.008 ( 0.655 0.357 0.412) 0.852 3.080 ( -3.134 4.895 1.859) 6.102 3.135 ( 0.556 0.716 1.265) 1.556 3.196 ( -2.653 4.739 -2.182) 5.854 3.298 ( 0.724 -1.902 -1.282) 2.406 3.338 ( -0.097 -0.778 -0.587) 0.979 3.403 ( 1.879 4.051 0.694) 4.519 3.469 ( 2.162 -0.960 -0.496) 2.417 3.722 ( -0.416 -18.122 -0.188) 18.127 3.790 ( -5.177 -5.760 1.996) 7.998 3.970 ( -0.184 -7.188 3.048) 7.810 4.145 ( 1.416 -1.755 0.892) 2.425 4.210 ( -1.217 1.756 1.142) 2.423 4.528 ( 0.518 5.549 2.061) 5.942 4.547 ( -1.577 -17.054 3.241) 17.431 4.835 ( -0.705 15.325 0.339) 15.345 5.473 ( 3.011 4.173 -6.488) 8.281 5.818 ( 2.215 -1.330 -2.531) 3.617 5.968 ( 0.418 3.067 -1.559) 3.466 5.982 ( -2.333 6.013 1.569) 6.638 6.529 ( 1.993 11.952 -11.969) 17.032 6.939 ( 1.337 4.977 -3.124) 6.027 7.111 ( -2.406 10.006 4.197) 11.114 7.402 ( 3.929 -8.985 -9.907) 13.940 7.521 ( 3.302 -10.968 -6.027) 12.944 7.920 ( -1.180 -4.369 0.597) 4.565 8.111 ( -7.109 0.440 9.867) 12.169 8.227 ( 8.888 -4.826 -0.464) 10.124 8.384 ( -6.087 4.124 9.412) 11.944 8.977 ( -2.171 -17.218 2.203) 17.494 9.408 ( 0.603 -5.532 0.621) 5.599 9.455 ( -1.544 -0.046 5.131) 5.359 9.599 ( 3.680 -1.736 -0.140) 4.071 9.658 ( -0.298 -4.231 1.415) 4.471 9.825 ( 0.862 -1.204 0.248) 1.501 9.931 ( -1.484 -7.709 -1.843) 8.064 10.088 ( -0.746 -1.178 -0.447) 1.464 10.362 ( 10.909 -8.053 1.764) 13.673 10.618 ( 6.316 -0.431 3.366) 7.170 10.768 ( -1.789 12.518 -0.634) 12.661 11.295 ( -4.794 11.326 -6.124) 13.739 12.543 ( -0.124 -20.403 -0.490) 20.409 12.653 ( 0.145 -0.410 -1.081) 1.165 12.739 ( 1.716 3.894 -1.211) 4.424 12.913 ( 2.018 -7.676 -2.306) 8.265 13.089 ( 6.664 -3.932 -0.489) 7.752 13.409 ( -0.975 4.171 0.101) 4.285 13.495 ( -1.641 -0.368 -1.371) 2.169 13.786 ( 5.504 10.085 -2.941) 11.860 14.367 ( -4.312 -8.605 -17.390) 19.876 14.477 ( 3.604 -7.129 24.054) 25.346 15.032 ( -0.686 16.824 -2.739) 17.060 15.266 ( 0.965 7.626 0.867) 7.736 15.343 ( -5.554 3.731 -1.968) 6.974 15.504 ( -2.742 5.011 6.420) 8.593 16.255 ( -0.058 -7.828 -0.721) 7.861 16.427 ( 0.106 -11.688 -1.066) 11.737 ======================= Grid point 91 (42/88) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( -6.688 0.000 1.859) 6.942 0.391 ( -10.617 0.000 4.437) 11.507 0.458 ( 0.636 -0.000 -2.430) 2.512 0.582 ( -15.101 0.000 0.362) 15.105 1.171 ( 2.458 -0.000 -3.497) 4.274 1.257 ( -0.223 0.000 -0.446) 0.499 1.331 ( -1.330 0.000 2.516) 2.846 1.355 ( 1.073 -0.000 -0.462) 1.168 1.472 ( 0.250 -0.000 -1.569) 1.589 1.563 ( -0.146 0.000 -0.757) 0.771 1.672 ( -0.474 0.000 -2.335) 2.382 1.677 ( -0.897 0.000 -1.942) 2.139 1.761 ( 2.680 -0.000 -4.003) 4.817 1.792 ( -0.152 0.000 -1.062) 1.073 1.808 ( 3.461 -0.000 -4.086) 5.354 1.857 ( 3.431 -0.000 0.636) 3.490 1.925 ( 2.553 -0.000 0.848) 2.690 1.999 ( 3.489 -0.000 0.977) 3.623 2.112 ( 0.329 -0.000 -0.729) 0.800 2.188 ( 0.621 -0.000 0.365) 0.720 2.337 ( -0.718 0.000 -2.509) 2.609 2.423 ( -2.141 0.000 0.683) 2.247 2.492 ( -4.308 0.000 0.402) 4.327 2.525 ( -0.175 0.000 0.404) 0.440 2.609 ( 1.225 -0.000 0.619) 1.372 2.617 ( 2.114 -0.000 2.424) 3.216 2.697 ( 3.639 -0.000 -1.609) 3.979 2.716 ( 0.714 -0.000 0.819) 1.086 2.808 ( 5.391 -0.000 -0.194) 5.394 2.876 ( 0.790 -0.000 0.161) 0.806 2.930 ( -0.542 0.000 -2.163) 2.230 2.978 ( 3.315 -0.000 -0.251) 3.324 3.005 ( 1.414 -0.000 -2.398) 2.784 3.040 ( 0.101 -0.000 -0.330) 0.345 3.135 ( -2.292 0.000 0.466) 2.339 3.149 ( -3.880 0.000 2.098) 4.410 3.270 ( 0.523 -0.000 1.517) 1.604 3.291 ( -3.727 0.000 -1.544) 4.035 3.331 ( -0.051 0.000 -0.523) 0.526 3.417 ( 1.140 -0.000 -1.216) 1.667 3.417 ( 0.051 -0.000 -5.179) 5.179 3.693 ( -6.265 0.000 6.707) 9.178 3.706 ( 0.407 -0.000 -3.572) 3.595 3.782 ( 2.320 -0.000 3.457) 4.163 4.076 ( 0.629 -0.000 2.980) 3.045 4.194 ( -0.228 0.000 2.524) 2.534 4.275 ( -1.103 0.000 5.829) 5.933 4.658 ( 1.719 -0.000 1.586) 2.339 5.121 ( -0.633 0.000 0.156) 0.651 5.299 ( 6.190 -0.000 -11.221) 12.816 5.903 ( 2.404 -0.000 -3.840) 4.530 6.184 ( -4.488 0.000 2.857) 5.320 6.206 ( 0.265 -0.000 4.044) 4.053 6.894 ( 2.100 -0.000 -11.879) 12.063 7.066 ( 2.532 -0.000 -3.010) 3.933 7.102 ( -0.577 0.000 -0.162) 0.600 7.222 ( 1.482 -0.000 -6.813) 6.972 7.353 ( 3.654 -0.000 -6.553) 7.503 7.391 ( -2.460 0.000 7.154) 7.565 7.820 ( 1.197 -0.000 -1.376) 1.824 8.289 ( -4.176 0.000 11.827) 12.543 8.465 ( -15.480 0.000 7.611) 17.250 8.535 ( -1.294 0.000 -2.600) 2.905 9.101 ( 2.675 -0.000 -3.114) 4.105 9.486 ( -0.974 0.000 4.568) 4.671 9.567 ( 0.685 -0.000 2.744) 2.828 9.580 ( 0.509 -0.000 0.655) 0.829 9.627 ( 1.231 -0.000 2.804) 3.063 9.828 ( 0.510 -0.000 -0.174) 0.539 10.051 ( 1.909 -0.000 -0.737) 2.046 10.226 ( 3.709 -0.000 -3.236) 4.922 10.669 ( 2.571 -0.000 3.983) 4.741 11.110 ( -1.550 0.000 0.017) 1.550 11.514 ( -3.232 0.000 -5.063) 6.007 12.009 ( -0.539 0.000 0.342) 0.638 12.582 ( 1.219 -0.000 -1.070) 1.622 12.666 ( 0.348 -0.000 -1.333) 1.378 12.862 ( 0.174 -0.000 -0.071) 0.187 12.976 ( 5.471 -0.000 -1.638) 5.711 13.469 ( -0.771 0.000 0.750) 1.076 13.500 ( -0.535 0.000 -0.734) 0.908 13.984 ( 5.792 -0.000 -13.252) 14.462 14.170 ( -8.409 0.000 -9.216) 12.476 14.366 ( 0.496 -0.000 22.844) 22.849 15.323 ( -5.034 0.000 2.727) 5.725 15.502 ( 10.168 -0.000 3.935) 10.903 15.666 ( 0.535 -0.000 0.674) 0.861 15.756 ( -1.395 0.000 -0.240) 1.416 15.940 ( 2.715 -0.000 -0.371) 2.741 16.073 ( -5.509 0.000 -4.598) 7.175 ======================= Grid point 92 (43/88) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -7.333 -7.807 3.063) 11.140 0.394 ( -10.494 -5.157 3.428) 12.185 0.510 ( 0.464 -5.984 -2.064) 6.347 0.613 ( -3.838 -22.037 2.552) 22.514 1.162 ( 2.492 2.320 -3.401) 4.812 1.246 ( -1.480 6.665 0.747) 6.868 1.298 ( 0.297 2.344 0.346) 2.388 1.358 ( -1.264 -3.659 0.066) 3.872 1.445 ( -0.926 -1.946 -0.983) 2.368 1.599 ( 0.198 -3.242 -1.070) 3.420 1.665 ( -1.099 -1.360 -1.394) 2.236 1.679 ( -0.550 -1.246 -0.966) 1.669 1.741 ( 4.073 1.580 -4.035) 5.948 1.808 ( 0.550 -0.282 -1.944) 2.039 1.827 ( 0.560 -3.118 -3.240) 4.532 1.902 ( 3.191 -2.164 0.187) 3.859 1.980 ( 2.326 -1.694 0.184) 2.883 2.016 ( 2.462 0.468 1.018) 2.705 2.124 ( 1.041 0.428 0.196) 1.143 2.221 ( -0.281 -3.081 -0.634) 3.158 2.288 ( -1.100 2.957 -1.232) 3.387 2.410 ( 0.964 1.716 -0.676) 2.081 2.446 ( -1.842 2.497 1.272) 3.353 2.524 ( -2.391 -0.687 -0.077) 2.489 2.559 ( -0.023 7.130 -0.139) 7.132 2.597 ( 1.246 2.804 0.483) 3.106 2.661 ( 0.968 1.754 -0.558) 2.079 2.732 ( 0.770 1.584 -0.652) 1.878 2.791 ( 1.108 4.662 -0.364) 4.806 2.847 ( 1.833 3.459 -2.875) 4.857 2.888 ( 0.851 3.798 -0.721) 3.959 2.956 ( 0.734 2.564 -2.876) 3.922 3.012 ( -0.176 4.168 0.993) 4.288 3.027 ( 1.046 0.963 2.201) 2.621 3.108 ( -3.998 0.519 -0.212) 4.037 3.155 ( -0.189 -0.399 2.055) 2.102 3.201 ( -4.394 -0.062 -0.028) 4.395 3.277 ( 0.491 2.817 -3.524) 4.538 3.342 ( 1.125 -2.335 0.600) 2.661 3.437 ( 1.285 -3.042 -2.874) 4.377 3.443 ( 0.191 -5.049 -1.514) 5.274 3.568 ( -3.223 7.426 -0.740) 8.128 3.681 ( -4.708 -2.163 4.781) 7.050 3.859 ( 1.248 -6.970 2.382) 7.471 4.128 ( 1.594 -2.640 1.286) 3.341 4.240 ( -1.426 0.688 5.768) 5.981 4.297 ( -0.613 -7.061 3.359) 7.843 4.643 ( 1.421 3.901 1.346) 4.365 5.042 ( -0.717 8.289 0.127) 8.321 5.387 ( 5.625 -8.287 -10.667) 14.632 5.857 ( 1.797 3.740 -3.558) 5.466 6.064 ( -2.997 7.973 -2.127) 8.780 6.111 ( -3.964 7.482 6.592) 10.730 6.699 ( 1.911 11.296 -10.984) 15.871 7.055 ( 1.328 7.525 -2.965) 8.196 7.226 ( 4.017 -8.405 -8.658) 12.718 7.245 ( -0.352 -1.219 2.174) 2.517 7.364 ( 2.105 -2.615 -1.876) 3.845 7.800 ( 2.914 -11.963 1.543) 12.409 7.963 ( 5.044 -18.513 0.898) 19.209 8.226 ( -6.675 4.617 -1.256) 8.213 8.478 ( 3.818 -0.515 8.767) 9.576 8.690 ( 1.722 -16.701 9.277) 19.182 9.236 ( 4.201 -14.200 -1.576) 14.892 9.479 ( -1.819 1.452 5.094) 5.600 9.561 ( 0.356 -2.797 -0.019) 2.820 9.607 ( 0.732 -1.382 0.714) 1.719 9.770 ( 1.359 -7.587 0.507) 7.724 9.832 ( 0.298 -0.538 0.026) 0.615 10.079 ( 0.358 -0.570 -0.353) 0.760 10.289 ( 7.890 -8.008 -6.332) 12.903 10.686 ( 3.189 1.433 2.665) 4.396 10.972 ( -2.074 11.919 -0.111) 12.099 11.404 ( -3.846 6.970 -4.577) 9.182 12.188 ( -0.254 -17.727 0.075) 17.729 12.649 ( 0.497 -0.122 -1.911) 1.978 12.743 ( 4.879 -10.977 -1.526) 12.109 12.830 ( 1.554 2.782 -0.825) 3.291 13.057 ( 5.501 -4.270 -1.215) 7.069 13.451 ( -1.176 1.529 0.169) 1.936 13.481 ( -1.439 0.885 -1.419) 2.206 13.869 ( -5.189 -0.717 -29.762) 30.220 14.140 ( -1.813 -2.667 -2.843) 4.299 14.557 ( 10.325 -3.074 32.310) 34.058 15.268 ( -3.704 3.541 2.226) 5.587 15.412 ( -3.207 19.879 -0.914) 20.157 15.494 ( 4.583 11.041 3.921) 12.580 15.618 ( -4.405 9.044 2.177) 10.293 16.081 ( -1.904 -10.101 -1.862) 10.446 16.187 ( 0.225 -14.313 -0.017) 14.314 ======================= Grid point 99 (44/88) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 0.150 -0.000 13.501) 13.502 0.251 ( -11.232 0.000 4.335) 12.040 0.370 ( -14.562 0.000 9.885) 17.600 0.473 ( 0.439 -0.000 2.244) 2.287 1.176 ( 1.826 -0.000 -3.312) 3.782 1.252 ( 0.437 -0.000 -0.964) 1.058 1.320 ( -2.028 0.000 1.292) 2.404 1.358 ( 0.449 -0.000 -1.123) 1.210 1.439 ( -3.442 0.000 -5.216) 6.249 1.557 ( 0.124 -0.000 -0.462) 0.479 1.652 ( 0.149 -0.000 -1.432) 1.439 1.657 ( -0.069 0.000 -0.941) 0.944 1.779 ( -0.101 0.000 -1.602) 1.605 1.786 ( 4.209 -0.000 -3.741) 5.631 1.807 ( 2.156 -0.000 -6.009) 6.384 1.917 ( 2.978 -0.000 0.642) 3.047 1.992 ( 3.970 -0.000 1.706) 4.321 2.049 ( 2.190 -0.000 0.246) 2.203 2.119 ( 1.035 -0.000 -0.131) 1.043 2.177 ( -2.071 0.000 0.187) 2.079 2.329 ( 1.744 -0.000 -1.267) 2.155 2.383 ( -2.900 0.000 -0.127) 2.902 2.441 ( -2.559 0.000 0.765) 2.671 2.521 ( -0.409 0.000 -0.096) 0.420 2.630 ( 0.529 -0.000 0.639) 0.830 2.664 ( 1.362 -0.000 1.595) 2.098 2.702 ( -1.779 0.000 -1.060) 2.071 2.718 ( 1.425 -0.000 -3.240) 3.539 2.853 ( 2.656 -0.000 -6.494) 7.017 2.890 ( 0.520 -0.000 0.221) 0.565 2.916 ( -0.760 0.000 1.763) 1.920 2.982 ( -2.809 0.000 -6.080) 6.698 3.037 ( 1.570 -0.000 0.327) 1.603 3.048 ( 3.323 -0.000 -0.501) 3.360 3.068 ( -3.154 0.000 0.761) 3.244 3.139 ( -1.675 0.000 3.053) 3.482 3.219 ( -3.559 0.000 -1.512) 3.867 3.292 ( 0.305 -0.000 0.119) 0.327 3.308 ( -3.069 0.000 -5.287) 6.113 3.371 ( -0.076 0.000 -4.696) 4.696 3.411 ( -1.821 0.000 -3.696) 4.120 3.533 ( -12.630 0.000 -10.514) 16.434 3.681 ( -4.076 0.000 10.005) 10.803 3.816 ( 1.075 -0.000 -0.095) 1.079 4.103 ( -0.306 0.000 2.483) 2.502 4.205 ( -0.593 0.000 1.263) 1.395 4.411 ( 7.887 -0.000 8.475) 11.577 4.696 ( 1.251 -0.000 1.195) 1.730 5.112 ( -0.416 0.000 0.172) 0.450 5.304 ( 6.091 -0.000 -10.639) 12.259 5.898 ( 1.526 -0.000 -5.413) 5.624 6.115 ( -3.409 0.000 -6.237) 7.108 6.202 ( -5.753 0.000 4.751) 7.461 6.902 ( 2.506 -0.000 -2.237) 3.359 7.084 ( 2.663 -0.000 -2.498) 3.651 7.103 ( 0.180 -0.000 0.934) 0.951 7.174 ( 0.130 -0.000 -5.581) 5.582 7.364 ( 4.001 -0.000 -5.031) 6.428 7.409 ( -3.941 0.000 2.879) 4.881 7.817 ( 0.488 -0.000 -2.315) 2.366 8.314 ( -5.302 0.000 10.809) 12.039 8.505 ( 0.160 -0.000 -1.623) 1.631 8.518 ( 17.064 -0.000 32.648) 36.839 9.128 ( 2.582 -0.000 0.102) 2.584 9.509 ( -1.418 0.000 4.919) 5.119 9.582 ( -0.481 0.000 0.065) 0.486 9.584 ( -0.298 0.000 -0.975) 1.019 9.660 ( -0.580 0.000 2.930) 2.986 9.832 ( 0.286 -0.000 -0.437) 0.522 10.077 ( 1.214 -0.000 0.420) 1.285 10.142 ( -9.443 0.000 -16.376) 18.904 10.727 ( 1.250 -0.000 1.770) 2.167 11.095 ( -0.518 0.000 1.279) 1.380 11.435 ( -0.647 0.000 -1.526) 1.657 12.002 ( -0.538 0.000 0.019) 0.538 12.590 ( 0.857 -0.000 -1.168) 1.449 12.658 ( 0.453 -0.000 -1.804) 1.860 12.875 ( 0.613 -0.000 1.364) 1.495 13.042 ( 4.371 -0.000 -2.120) 4.858 13.441 ( -6.564 0.000 -8.479) 10.723 13.485 ( -0.377 0.000 -0.899) 0.975 13.518 ( -24.731 0.000 -27.229) 36.783 14.163 ( 2.722 -0.000 4.117) 4.936 14.792 ( 21.769 -0.000 26.772) 34.505 15.248 ( -4.566 0.000 -2.008) 4.988 15.678 ( 0.401 -0.000 0.199) 0.448 15.735 ( -0.544 0.000 0.522) 0.754 15.735 ( 8.469 -0.000 5.256) 9.967 15.898 ( -5.890 0.000 -4.782) 7.586 16.054 ( 8.453 -0.000 9.930) 13.040 ======================= Grid point 100 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 1.493 -0.000 2.537) 2.944 0.558 ( 0.669 -0.000 10.494) 10.516 0.614 ( -2.465 0.000 8.838) 9.175 0.682 ( 0.834 -0.000 9.978) 10.013 1.116 ( 0.771 -0.000 -2.122) 2.258 1.180 ( -0.063 0.000 -4.097) 4.098 1.304 ( -0.363 0.000 -0.251) 0.442 1.305 ( -2.500 0.000 0.684) 2.592 1.379 ( 2.524 -0.000 0.336) 2.546 1.555 ( 0.492 -0.000 -0.205) 0.533 1.610 ( 0.591 -0.000 -3.580) 3.629 1.642 ( 2.191 -0.000 -1.256) 2.526 1.687 ( 5.226 -0.000 -6.170) 8.086 1.707 ( 0.315 -0.000 -2.034) 2.058 1.728 ( -0.463 0.000 -0.595) 0.754 1.957 ( 0.270 -0.000 0.144) 0.306 1.985 ( -1.318 0.000 -1.803) 2.233 2.073 ( -0.221 0.000 -0.749) 0.780 2.121 ( -0.382 0.000 -0.731) 0.825 2.179 ( -0.150 0.000 1.302) 1.311 2.355 ( 2.181 -0.000 -1.002) 2.400 2.366 ( 0.378 -0.000 0.507) 0.633 2.421 ( -0.377 0.000 -0.669) 0.767 2.510 ( -0.884 0.000 0.304) 0.935 2.611 ( -0.179 0.000 -3.856) 3.860 2.619 ( 0.159 -0.000 -1.683) 1.691 2.638 ( -3.140 0.000 1.040) 3.308 2.707 ( 0.889 -0.000 0.409) 0.979 2.745 ( 4.360 -0.000 0.632) 4.406 2.820 ( -0.177 0.000 -1.986) 1.994 2.894 ( -0.258 0.000 0.164) 0.306 2.911 ( -4.634 0.000 0.098) 4.635 3.023 ( -0.713 0.000 -0.685) 0.989 3.066 ( -0.968 0.000 1.240) 1.573 3.094 ( -3.410 0.000 -1.727) 3.822 3.112 ( 5.982 -0.000 -2.009) 6.311 3.136 ( 1.489 -0.000 -0.009) 1.489 3.200 ( -0.552 0.000 -0.450) 0.712 3.282 ( -0.893 0.000 1.263) 1.547 3.336 ( 0.615 -0.000 0.429) 0.750 3.349 ( -0.323 0.000 -0.761) 0.827 3.528 ( -0.620 0.000 2.334) 2.415 3.822 ( -0.474 0.000 0.467) 0.665 3.939 ( -0.547 0.000 6.512) 6.535 4.145 ( -0.861 0.000 0.477) 0.984 4.286 ( -6.305 0.000 11.448) 13.069 4.473 ( -1.318 0.000 0.215) 1.335 4.726 ( -0.650 0.000 0.929) 1.134 5.026 ( 9.133 -0.000 -16.914) 19.222 5.108 ( -0.195 0.000 -0.050) 0.201 5.849 ( 0.380 -0.000 0.238) 0.449 6.000 ( 1.980 -0.000 -1.992) 2.808 6.297 ( -2.400 0.000 3.489) 4.235 6.659 ( -0.559 0.000 -5.103) 5.133 7.064 ( 2.646 -0.000 -2.326) 3.523 7.155 ( 1.794 -0.000 -3.117) 3.596 7.161 ( 0.576 -0.000 1.950) 2.034 7.301 ( 0.954 -0.000 -2.380) 2.565 7.398 ( -1.681 0.000 3.071) 3.501 7.759 ( -0.286 0.000 -1.688) 1.712 8.453 ( -3.779 0.000 5.370) 6.566 8.541 ( 1.583 -0.000 1.331) 2.068 9.070 ( 3.234 -0.000 -1.378) 3.516 9.407 ( 8.365 -0.000 0.332) 8.371 9.500 ( -1.732 0.000 -2.410) 2.968 9.546 ( -8.187 0.000 5.325) 9.767 9.646 ( -3.190 0.000 6.133) 6.913 9.649 ( -2.736 0.000 0.091) 2.738 9.809 ( 0.263 -0.000 -1.326) 1.351 9.935 ( 3.086 -0.000 4.149) 5.171 10.163 ( 0.761 -0.000 2.156) 2.287 10.712 ( -3.832 0.000 -0.157) 3.835 11.108 ( -0.008 0.000 0.306) 0.306 11.372 ( 3.813 -0.000 -5.708) 6.864 11.985 ( -0.263 0.000 -0.460) 0.530 12.562 ( -0.102 0.000 -0.908) 0.914 12.614 ( 1.412 -0.000 -1.916) 2.380 12.945 ( 0.240 -0.000 1.873) 1.889 13.011 ( 0.165 -0.000 -2.279) 2.285 13.079 ( -0.032 0.000 4.273) 4.274 13.405 ( -1.783 0.000 -2.404) 2.993 13.454 ( 0.365 -0.000 -0.975) 1.041 14.433 ( 0.630 -0.000 9.051) 9.073 15.078 ( 4.320 -0.000 -3.163) 5.354 15.084 ( -5.002 0.000 -0.950) 5.091 15.556 ( -1.050 0.000 -7.398) 7.472 15.680 ( -0.279 0.000 0.017) 0.280 15.736 ( 0.048 -0.000 0.358) 0.362 15.915 ( 2.122 -0.000 0.223) 2.134 16.351 ( -0.109 0.000 1.790) 1.794 ======================= Grid point 101 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 3.464 -9.562 2.000) 10.365 0.566 ( -1.239 3.716 8.057) 8.959 0.656 ( 3.802 -0.010 6.451) 7.488 0.822 ( -2.502 -13.878 2.271) 14.283 1.116 ( 0.226 0.276 -1.965) 1.997 1.225 ( 0.401 1.606 -0.181) 1.665 1.247 ( -0.275 1.803 -0.791) 1.988 1.293 ( 1.257 -2.828 -0.489) 3.133 1.469 ( 1.239 -4.705 -0.414) 4.883 1.573 ( 0.174 -0.933 -0.722) 1.193 1.612 ( 0.905 -0.789 -1.971) 2.308 1.663 ( 2.264 -2.225 -2.158) 3.839 1.691 ( 3.446 -0.729 -2.726) 4.454 1.709 ( 2.171 -1.570 -4.006) 4.819 1.766 ( 0.139 -2.602 -1.076) 2.819 1.914 ( -0.386 2.142 -0.690) 2.283 1.980 ( -1.020 -0.850 0.235) 1.348 2.030 ( -2.068 2.534 0.021) 3.271 2.111 ( -0.808 0.512 -0.962) 1.356 2.199 ( 0.752 -0.952 -0.530) 1.324 2.292 ( 1.550 3.020 -0.503) 3.432 2.428 ( -0.648 5.829 -0.267) 5.871 2.435 ( -1.153 0.702 0.401) 1.408 2.483 ( 2.402 -3.408 -0.458) 4.195 2.523 ( -1.339 3.505 1.656) 4.101 2.606 ( -0.297 4.099 -1.958) 4.552 2.642 ( 0.959 -3.026 -1.921) 3.711 2.694 ( -0.932 -1.397 -0.679) 1.812 2.751 ( 3.422 5.063 0.264) 6.117 2.804 ( 2.262 1.713 -3.559) 4.551 2.869 ( -3.689 1.898 1.826) 4.532 2.909 ( -0.201 -2.405 1.267) 2.725 2.993 ( -0.703 2.890 -1.061) 3.158 3.043 ( -0.351 2.113 0.477) 2.195 3.078 ( 1.107 -1.235 0.214) 1.673 3.103 ( -1.788 4.211 -1.573) 4.837 3.175 ( -0.615 0.581 -0.302) 0.898 3.234 ( 5.510 -3.695 -1.910) 6.903 3.270 ( 1.058 0.796 -0.200) 1.339 3.345 ( -1.280 -2.618 1.036) 3.093 3.400 ( 0.328 -2.450 -1.111) 2.710 3.557 ( -0.426 -3.683 1.961) 4.195 3.814 ( -0.217 -0.806 1.452) 1.675 3.997 ( -1.399 -4.262 3.877) 5.929 4.158 ( -1.448 -1.871 0.153) 2.371 4.405 ( -5.287 -9.503 10.163) 14.884 4.407 ( -2.436 2.605 3.370) 4.907 4.680 ( -1.474 4.452 1.132) 4.825 5.033 ( -0.035 8.257 0.075) 8.258 5.109 ( 8.295 -8.634 -16.671) 20.524 5.822 ( 0.562 3.166 -0.563) 3.264 5.958 ( 2.651 5.173 -1.573) 6.022 6.229 ( 1.049 7.915 2.911) 8.499 6.555 ( 2.033 8.895 -4.079) 9.995 7.040 ( 1.695 5.030 -3.004) 6.099 7.200 ( 1.723 -6.090 -3.231) 7.106 7.253 ( 0.036 -4.323 0.814) 4.399 7.323 ( 0.627 0.343 0.176) 0.736 7.504 ( -0.806 -15.142 -2.826) 15.425 7.796 ( 0.326 -4.662 -1.270) 4.843 8.346 ( -3.393 7.479 6.092) 10.225 8.595 ( 1.963 -3.610 1.069) 4.246 9.200 ( -3.495 -9.445 -1.866) 10.242 9.450 ( 1.129 -1.924 -1.697) 2.803 9.483 ( -6.470 -1.017 8.909) 11.057 9.553 ( -1.795 -2.372 0.467) 3.011 9.677 ( 0.213 -4.684 1.717) 4.993 9.744 ( -2.962 -9.973 -0.178) 10.405 9.811 ( -0.571 -1.970 -1.362) 2.462 10.008 ( 2.915 -3.567 3.121) 5.564 10.165 ( -0.158 0.472 0.976) 1.095 10.656 ( -5.214 2.557 0.388) 5.820 10.953 ( 1.660 14.417 -0.229) 14.514 11.320 ( 5.668 6.952 -5.211) 10.374 12.171 ( 0.114 -17.380 -0.730) 17.396 12.593 ( 0.370 -0.372 -0.793) 0.951 12.725 ( 0.012 -14.726 -3.833) 15.217 12.893 ( -0.543 4.339 0.243) 4.380 13.066 ( -1.531 -5.379 -1.232) 5.727 13.117 ( 6.282 0.556 3.653) 7.289 13.371 ( -0.098 1.813 -2.115) 2.788 13.433 ( 1.346 2.130 -1.268) 2.821 14.445 ( -1.017 2.092 7.154) 7.523 15.036 ( -8.994 -1.071 -1.347) 9.157 15.096 ( 4.231 0.719 -0.026) 4.291 15.312 ( 1.548 15.205 -4.988) 16.077 15.550 ( -0.570 12.231 0.736) 12.266 15.860 ( -2.410 4.042 1.359) 4.898 15.968 ( 1.387 -13.671 -2.188) 13.915 16.410 ( -1.172 -6.360 3.056) 7.153 ======================= Grid point 102 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.979 -2.107 2.585) 3.476 0.600 ( 2.280 -7.981 2.298) 8.613 0.707 ( 1.441 -2.849 0.338) 3.210 1.055 ( -3.035 1.051 -0.522) 3.254 1.075 ( -0.839 -3.511 -2.462) 4.370 1.154 ( 1.039 2.611 -0.509) 2.856 1.163 ( 2.022 0.960 1.249) 2.563 1.434 ( 0.822 -3.378 -0.936) 3.600 1.499 ( 0.629 -2.751 -2.189) 3.571 1.568 ( 0.422 1.379 -1.619) 2.168 1.657 ( 2.564 -4.699 -1.916) 5.686 1.694 ( 2.260 -0.619 -4.254) 4.856 1.756 ( -0.725 -1.979 1.318) 2.486 1.772 ( 1.880 -6.336 -1.837) 6.860 1.831 ( 0.275 -4.980 -0.127) 4.990 1.938 ( 2.458 -1.032 -1.126) 2.894 1.979 ( 0.494 -1.691 -0.754) 1.916 2.005 ( 0.760 -1.093 0.994) 1.662 2.097 ( -0.980 -0.527 0.001) 1.113 2.177 ( -2.089 2.139 -0.546) 3.039 2.284 ( 0.421 8.218 0.157) 8.230 2.299 ( 3.913 -1.217 -0.943) 4.205 2.340 ( 1.097 7.717 -0.128) 7.796 2.474 ( -1.123 -0.854 1.117) 1.800 2.526 ( -0.580 3.945 -0.955) 4.101 2.593 ( 0.123 -1.264 0.695) 1.447 2.621 ( -2.955 6.234 -3.049) 7.543 2.674 ( -2.727 1.682 -0.557) 3.252 2.718 ( 2.178 -3.451 -1.843) 4.478 2.797 ( 2.686 1.835 -0.762) 3.341 2.820 ( -2.512 0.322 1.623) 3.008 2.915 ( -0.756 3.595 -0.965) 3.798 2.924 ( -0.592 3.092 0.332) 3.166 2.989 ( 0.339 5.418 0.490) 5.451 3.009 ( 1.495 2.145 1.221) 2.885 3.099 ( 0.766 1.564 1.124) 2.073 3.164 ( -0.599 -1.954 -2.194) 2.999 3.283 ( 1.684 -2.080 -1.635) 3.136 3.308 ( 1.579 -1.268 -0.959) 2.240 3.355 ( -0.875 1.844 1.307) 2.424 3.385 ( 0.582 2.426 -0.016) 2.495 3.743 ( 0.117 -16.283 0.150) 16.284 3.873 ( 0.302 -4.579 1.137) 4.727 4.094 ( -1.620 -5.856 3.136) 6.838 4.181 ( -2.379 -2.912 -0.114) 3.762 4.297 ( -1.491 6.012 2.100) 6.540 4.538 ( -1.515 6.936 1.104) 7.185 4.705 ( -4.407 -15.825 10.311) 19.395 4.825 ( 0.243 15.125 0.271) 15.130 5.262 ( 6.536 -6.833 -13.388) 16.391 5.768 ( 0.597 1.245 -2.401) 2.770 5.881 ( 2.505 4.340 -1.500) 5.231 6.069 ( -0.131 11.241 1.952) 11.410 6.364 ( 4.235 12.356 -6.659) 14.661 6.942 ( 0.192 4.442 -1.589) 4.721 7.145 ( 0.022 9.125 2.538) 9.471 7.349 ( 3.051 -8.004 -5.094) 9.966 7.473 ( 1.141 -9.678 -2.154) 9.980 7.716 ( 2.058 -7.739 -1.644) 8.175 7.900 ( 1.369 -5.991 -0.763) 6.192 8.291 ( -3.807 -2.170 6.969) 8.232 8.650 ( -0.869 -0.607 0.829) 1.346 9.310 ( -3.306 -5.978 1.656) 7.029 9.450 ( -3.411 -1.583 -4.679) 6.002 9.523 ( -4.512 -3.479 12.208) 13.472 9.572 ( 0.036 -0.707 0.078) 0.712 9.757 ( -1.244 -2.298 1.896) 3.228 9.802 ( -1.855 -0.461 -0.820) 2.080 10.006 ( -0.722 -16.918 -0.804) 16.953 10.122 ( 1.842 -5.098 3.494) 6.449 10.182 ( -3.356 -4.907 -2.242) 6.354 10.556 ( -4.400 3.479 0.979) 5.694 10.712 ( 2.580 13.500 -1.546) 13.831 11.187 ( 7.737 11.273 -4.720) 14.464 12.477 ( 1.176 -13.583 -1.715) 13.742 12.622 ( 0.658 -5.394 0.277) 5.441 12.802 ( -1.242 4.823 -0.684) 5.028 12.980 ( -4.036 -13.986 -2.589) 14.785 13.126 ( -3.340 -3.593 -0.975) 5.002 13.194 ( 8.872 -1.186 0.110) 8.952 13.332 ( 1.609 1.541 -1.043) 2.460 13.416 ( 3.900 0.608 -1.609) 4.262 14.416 ( -1.644 1.998 4.473) 5.167 14.936 ( -4.298 8.130 -4.028) 10.039 15.052 ( -0.889 4.817 -0.538) 4.928 15.171 ( 1.982 -0.158 3.337) 3.885 15.308 ( -0.852 12.732 -0.321) 12.765 15.746 ( -3.254 5.730 2.910) 7.203 16.201 ( 1.251 -10.789 -0.885) 10.898 16.533 ( -1.551 -6.457 1.132) 6.737 ======================= Grid point 103 (48/88) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 1.281 -7.305 -0.689) 7.448 0.722 ( 1.555 -2.297 0.793) 2.885 0.776 ( 1.681 -2.679 -1.480) 3.492 0.920 ( -2.422 8.087 -1.261) 8.536 1.011 ( -1.969 2.393 0.505) 3.140 1.077 ( 2.691 3.591 1.127) 4.627 1.364 ( 0.488 -9.220 -2.603) 9.593 1.420 ( 2.734 1.707 -4.782) 5.767 1.538 ( 0.481 -1.258 0.135) 1.354 1.570 ( 1.585 -2.698 -1.367) 3.415 1.666 ( 0.264 1.349 -2.997) 3.297 1.761 ( 0.008 1.826 -0.338) 1.857 1.810 ( 0.428 -4.511 -1.314) 4.718 1.858 ( 0.179 1.247 0.589) 1.390 1.905 ( 0.637 -4.543 -1.521) 4.833 1.921 ( 1.566 -3.046 0.006) 3.425 2.051 ( -0.707 -1.388 0.292) 1.584 2.054 ( 2.448 -0.660 0.515) 2.587 2.096 ( -0.100 3.512 0.585) 3.561 2.141 ( 1.138 -3.387 -0.606) 3.624 2.206 ( 0.746 1.897 0.667) 2.145 2.250 ( 1.541 1.685 -1.695) 2.843 2.369 ( 3.757 -3.398 -1.021) 5.168 2.429 ( -3.406 6.004 -0.550) 6.925 2.452 ( -0.127 2.598 0.500) 2.649 2.507 ( -0.319 0.356 -1.718) 1.783 2.588 ( -3.471 3.624 -1.886) 5.361 2.619 ( -0.059 -1.083 -0.859) 1.384 2.744 ( 0.600 1.052 0.080) 1.214 2.768 ( 0.836 1.394 0.238) 1.643 2.794 ( -1.499 4.642 1.454) 5.090 2.839 ( -1.335 0.516 -1.274) 1.916 2.900 ( -1.814 -2.667 1.497) 3.556 2.940 ( 2.117 3.205 0.919) 3.950 3.006 ( 1.881 0.365 1.893) 2.693 3.073 ( -1.223 0.477 0.320) 1.351 3.187 ( -0.395 -0.793 -1.734) 1.947 3.282 ( 0.947 3.171 -1.144) 3.501 3.317 ( 2.172 -0.247 -1.811) 2.839 3.339 ( 0.559 -1.774 -0.227) 1.874 3.399 ( 0.273 -2.223 -0.095) 2.241 3.933 ( -0.298 -2.616 1.503) 3.032 4.070 ( -0.330 -13.890 -0.273) 13.896 4.178 ( -1.083 -5.928 2.011) 6.353 4.199 ( -0.871 3.453 1.552) 3.885 4.272 ( -2.411 -8.894 0.943) 9.263 4.372 ( -0.688 10.199 1.323) 10.307 4.526 ( 0.560 17.915 0.550) 17.933 5.008 ( -2.487 -15.903 6.465) 17.346 5.242 ( 0.515 9.322 -2.031) 9.555 5.822 ( 1.393 -5.202 -2.177) 5.809 5.851 ( 2.521 -0.947 -6.825) 7.337 5.900 ( 0.066 4.207 -0.153) 4.210 6.146 ( 6.000 12.691 -9.612) 17.013 6.907 ( -0.537 -1.595 0.050) 1.684 6.997 ( 0.188 7.942 1.533) 8.091 7.470 ( 2.338 -4.148 -5.642) 7.382 7.554 ( 2.268 0.252 -3.041) 3.802 7.850 ( 2.124 -6.223 1.856) 6.833 7.991 ( 0.180 -3.212 -0.535) 3.261 8.379 ( -2.718 -5.603 7.190) 9.512 8.605 ( -3.690 3.888 1.544) 5.578 9.353 ( -3.042 -0.870 1.268) 3.409 9.427 ( -0.462 0.483 -3.296) 3.364 9.563 ( -2.106 -1.528 2.818) 3.835 9.648 ( -0.668 -2.820 8.221) 8.717 9.758 ( -1.167 1.786 -0.224) 2.145 9.789 ( -0.109 -1.562 4.004) 4.299 10.158 ( -5.032 3.182 2.515) 6.463 10.237 ( -1.624 -6.578 -2.544) 7.237 10.285 ( -1.182 -12.404 -1.063) 12.506 10.473 ( 4.013 11.075 -1.873) 11.928 10.627 ( -2.673 -11.583 0.474) 11.896 11.011 ( 8.541 13.358 -5.279) 16.710 12.586 ( 2.051 -2.628 -1.041) 3.492 12.706 ( -1.331 4.030 -0.837) 4.326 12.842 ( 1.563 -12.598 -0.425) 12.701 13.048 ( -0.846 3.770 -1.569) 4.170 13.150 ( -4.632 -3.896 -0.027) 6.052 13.217 ( 3.945 2.574 -0.772) 4.773 13.384 ( 2.159 -3.924 -2.702) 5.230 13.473 ( 3.871 -3.644 -1.207) 5.452 14.435 ( -0.791 -4.900 2.828) 5.713 14.673 ( -0.758 14.665 -6.499) 16.058 15.014 ( -3.422 -0.729 0.541) 3.540 15.136 ( 1.561 5.964 2.018) 6.486 15.239 ( 0.733 -2.850 6.358) 7.006 15.639 ( -4.284 4.185 1.660) 6.215 16.344 ( 1.592 -4.086 0.075) 4.385 16.597 ( -1.485 -1.718 -0.611) 2.352 ======================= Grid point 104 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -1.546 6.757 0.699) 6.967 0.725 ( -1.404 8.611 -0.945) 8.776 0.750 ( 0.116 5.026 0.382) 5.042 0.880 ( 3.239 -8.980 -1.139) 9.614 1.035 ( 2.019 -3.726 -0.223) 4.244 1.089 ( -2.638 -3.785 0.974) 4.715 1.359 ( 3.495 7.264 -4.251) 9.113 1.424 ( 1.757 -0.111 -2.816) 3.322 1.574 ( -0.083 0.033 -2.040) 2.042 1.611 ( 2.207 1.263 -2.389) 3.489 1.653 ( 0.111 4.163 -1.318) 4.368 1.680 ( 0.934 -1.688 2.033) 2.803 1.792 ( 0.285 3.905 -0.762) 3.988 1.836 ( 0.960 1.385 -0.193) 1.696 1.921 ( -1.380 3.319 -0.718) 3.666 1.986 ( -1.177 -1.540 -1.891) 2.708 2.029 ( 0.502 -1.811 0.208) 1.890 2.079 ( -1.558 2.931 0.120) 3.321 2.121 ( -0.520 3.604 0.270) 3.651 2.141 ( 1.373 -3.681 -0.669) 3.985 2.182 ( 1.677 -1.357 -0.637) 2.249 2.275 ( -1.716 -1.878 0.655) 2.627 2.355 ( -1.706 -0.959 -3.668) 4.158 2.420 ( 1.865 -1.004 0.854) 2.284 2.480 ( -1.233 -1.652 -0.763) 2.198 2.502 ( 1.032 -4.277 -0.888) 4.489 2.530 ( 2.061 0.713 -0.051) 2.182 2.650 ( 1.099 -2.561 -1.863) 3.353 2.723 ( -1.151 0.618 2.003) 2.391 2.743 ( 0.796 0.816 0.552) 1.267 2.793 ( 1.260 -2.383 0.017) 2.695 2.856 ( 0.101 -3.020 -0.369) 3.044 2.895 ( 0.924 2.372 2.378) 3.483 2.950 ( -1.066 -2.850 -0.744) 3.132 3.022 ( -1.981 -1.997 0.785) 2.920 3.088 ( 0.555 -1.151 0.026) 1.278 3.175 ( 0.861 0.863 -0.546) 1.336 3.256 ( 0.561 -0.791 -0.988) 1.384 3.343 ( 0.522 0.791 -0.401) 1.029 3.357 ( 1.250 -1.720 -2.365) 3.180 3.437 ( -1.167 -2.378 -1.745) 3.173 3.912 ( -1.726 4.575 2.263) 5.388 4.060 ( 0.628 16.186 0.017) 16.198 4.171 ( -1.280 2.148 2.852) 3.793 4.181 ( -0.995 0.714 2.365) 2.663 4.261 ( 1.995 8.136 0.439) 8.389 4.401 ( -0.688 -10.865 0.656) 10.906 4.532 ( -1.113 -17.629 0.414) 17.669 4.983 ( -3.635 17.346 5.720) 18.623 5.247 ( 0.896 -9.219 -1.315) 9.356 5.791 ( 0.992 2.354 -2.222) 3.385 5.887 ( 0.725 -4.069 -0.045) 4.134 5.947 ( 3.030 7.712 -6.860) 10.757 6.068 ( 4.832 -13.761 -8.713) 16.989 6.902 ( 0.956 2.667 0.330) 2.852 6.997 ( -1.218 -8.160 1.489) 8.384 7.427 ( 2.313 6.764 -3.240) 7.848 7.554 ( 2.825 2.155 -3.530) 5.009 7.938 ( -0.177 -1.114 1.359) 1.766 8.004 ( -4.382 -1.317 -2.756) 5.342 8.475 ( -4.424 2.225 4.043) 6.393 8.481 ( 0.320 2.023 4.109) 4.591 9.287 ( -0.255 6.558 2.081) 6.885 9.427 ( 1.027 -0.429 0.651) 1.289 9.577 ( -2.021 0.029 2.757) 3.419 9.688 ( 1.904 -0.916 3.751) 4.305 9.733 ( -1.311 2.021 2.216) 3.273 9.850 ( -1.107 -2.178 2.486) 3.485 10.036 ( -3.536 5.558 3.897) 7.654 10.219 ( 2.620 10.170 -0.110) 10.503 10.366 ( 2.870 0.118 -6.565) 7.166 10.486 ( -2.775 -12.668 -1.630) 13.071 10.815 ( 6.257 11.827 -5.776) 14.574 10.888 ( -2.398 -16.662 -0.131) 16.834 12.620 ( -0.667 1.009 -2.313) 2.610 12.670 ( 1.696 -2.315 0.605) 2.933 12.863 ( 0.188 14.544 -0.975) 14.578 12.971 ( 2.563 0.493 0.298) 2.627 13.176 ( 1.946 0.080 -1.468) 2.439 13.257 ( -0.039 -6.032 -1.096) 6.131 13.407 ( -2.190 -0.010 -3.213) 3.888 13.540 ( 0.698 -1.692 -5.023) 5.346 14.374 ( -0.497 12.251 0.037) 12.261 14.651 ( -0.491 -16.097 -0.510) 16.112 15.008 ( 4.653 2.358 2.125) 5.633 15.118 ( -2.473 -3.216 -2.720) 4.884 15.356 ( 1.826 -5.228 12.886) 14.026 15.548 ( -5.632 1.828 -0.630) 5.955 16.360 ( 0.854 3.647 -0.182) 3.750 16.565 ( 0.211 4.346 -0.013) 4.351 ======================= Grid point 105 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -5.142 6.681 4.144) 9.394 0.538 ( -1.652 6.671 3.020) 7.507 0.646 ( 1.031 7.736 1.256) 7.905 1.041 ( 3.604 1.024 0.174) 3.750 1.071 ( 3.354 2.336 -2.271) 4.676 1.162 ( -3.212 -4.321 1.071) 5.489 1.192 ( -0.065 1.572 -0.744) 1.741 1.430 ( 0.416 1.338 -0.946) 1.691 1.489 ( 0.626 5.921 -0.928) 6.026 1.602 ( 0.433 0.574 -2.503) 2.604 1.635 ( 3.588 -1.265 -2.177) 4.384 1.660 ( -0.319 3.535 -2.032) 4.090 1.746 ( 0.747 3.613 0.275) 3.700 1.783 ( -0.436 3.630 -1.505) 3.954 1.858 ( 1.788 6.427 -2.066) 6.984 1.922 ( -3.885 1.416 -0.217) 4.141 1.990 ( 0.753 2.479 -1.762) 3.133 2.047 ( -0.537 -1.010 -0.168) 1.157 2.099 ( 0.998 -0.876 0.186) 1.340 2.209 ( -0.124 -0.358 -1.809) 1.848 2.248 ( 0.235 -1.782 0.936) 2.026 2.319 ( -1.349 -8.606 -0.049) 8.712 2.370 ( -2.044 -5.099 -2.335) 5.969 2.466 ( 0.085 -1.004 0.981) 1.406 2.501 ( 1.159 0.483 0.151) 1.265 2.564 ( 2.371 -3.321 -0.196) 4.085 2.598 ( 0.628 -3.986 -0.344) 4.050 2.689 ( 1.679 -0.710 -1.426) 2.314 2.716 ( 0.771 0.197 -0.999) 1.277 2.768 ( 0.185 -1.847 0.436) 1.907 2.858 ( -0.477 -2.899 0.731) 3.027 2.883 ( 2.219 -2.503 0.973) 3.483 2.955 ( -0.273 -4.361 -0.112) 4.371 2.978 ( 0.534 -2.272 -1.796) 2.945 3.055 ( -3.889 -2.793 -0.041) 4.789 3.101 ( -0.912 -2.720 -0.518) 2.915 3.196 ( 1.453 -1.329 0.329) 1.997 3.263 ( 1.114 2.714 -2.174) 3.652 3.317 ( -1.009 0.479 -0.959) 1.472 3.387 ( -1.049 -2.211 -0.661) 2.535 3.441 ( -1.655 -0.256 -2.303) 2.847 3.727 ( 0.173 17.085 0.584) 17.096 3.822 ( -0.691 5.343 3.298) 6.317 4.071 ( -0.867 6.681 3.891) 7.780 4.196 ( 1.695 2.244 0.018) 2.812 4.275 ( 0.387 -5.835 2.849) 6.504 4.561 ( -0.340 -6.769 0.315) 6.785 4.672 ( -4.626 15.973 9.356) 19.081 4.829 ( -0.720 -15.144 0.129) 15.161 5.276 ( 6.332 6.277 -12.127) 15.052 5.773 ( 1.383 -1.001 -2.137) 2.735 5.878 ( -0.323 -2.654 -2.710) 3.807 6.039 ( -1.267 -10.159 2.800) 10.614 6.321 ( 4.448 -13.507 -4.868) 15.031 6.924 ( 2.442 -3.359 -0.650) 4.204 7.166 ( -2.629 -10.832 1.805) 11.291 7.297 ( 2.963 8.282 -2.337) 9.101 7.452 ( 2.165 9.649 -2.006) 10.091 7.897 ( -1.100 4.684 -0.828) 4.883 7.934 ( -7.611 3.780 -9.006) 12.382 8.317 ( -3.417 5.704 4.830) 8.218 8.545 ( 2.983 0.158 2.927) 4.182 9.205 ( 3.440 4.690 7.706) 9.654 9.426 ( 2.912 3.348 -0.683) 4.490 9.580 ( -2.370 -0.920 3.576) 4.388 9.662 ( -3.591 3.002 1.615) 4.951 9.715 ( 4.450 6.266 2.636) 8.125 9.835 ( -0.496 2.141 -0.155) 2.203 9.943 ( 1.325 7.128 3.936) 8.250 10.087 ( -1.068 3.111 0.231) 3.298 10.259 ( 2.508 11.515 -10.660) 15.891 10.697 ( -1.443 -13.677 -1.096) 13.797 10.710 ( 0.320 0.052 -2.350) 2.372 11.134 ( -1.041 -12.862 -1.947) 13.050 12.518 ( -0.404 16.672 -2.299) 16.835 12.608 ( -0.269 2.519 -0.089) 2.535 12.777 ( 2.375 -4.348 1.027) 5.060 12.919 ( 5.797 8.415 -0.624) 10.238 13.154 ( 3.474 4.314 -1.205) 5.668 13.291 ( -7.369 4.487 -8.167) 11.880 13.371 ( -2.217 -4.208 -1.616) 5.023 13.475 ( -3.454 2.144 -5.497) 6.837 14.280 ( 2.280 0.954 7.584) 7.976 14.963 ( -0.478 -16.385 -3.458) 16.753 15.031 ( 6.788 -0.240 2.719) 7.316 15.162 ( -1.781 -5.252 -2.151) 5.948 15.494 ( -6.337 -3.096 -2.193) 7.386 15.576 ( 3.855 -10.263 12.779) 16.837 16.227 ( -0.568 10.727 -1.579) 10.858 16.464 ( 2.302 8.344 3.010) 9.164 ======================= Grid point 106 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -2.446 9.143 3.862) 10.222 0.527 ( -3.629 -0.241 11.521) 12.081 0.564 ( 0.691 0.561 3.864) 3.965 0.795 ( 0.959 16.046 6.108) 17.196 1.119 ( 1.627 -0.413 -2.015) 2.623 1.234 ( -1.431 -2.998 0.192) 3.328 1.268 ( -0.879 -5.800 -1.220) 5.992 1.295 ( -0.787 6.460 -1.559) 6.692 1.451 ( 0.974 4.914 0.324) 5.020 1.576 ( 0.326 1.858 -0.804) 2.051 1.620 ( 0.035 0.188 -1.444) 1.456 1.650 ( 1.287 3.571 -1.382) 4.040 1.669 ( 4.014 -0.218 -5.079) 6.477 1.720 ( -0.175 1.520 -3.115) 3.471 1.768 ( 0.531 2.852 -0.960) 3.055 1.933 ( -0.290 -2.129 -0.719) 2.266 1.979 ( 0.782 -0.755 -0.666) 1.275 2.051 ( 0.872 -0.590 -0.687) 1.257 2.127 ( -0.292 -1.172 -0.832) 1.467 2.189 ( -0.106 1.290 -0.331) 1.336 2.287 ( 0.037 -2.837 0.209) 2.845 2.431 ( 2.562 0.863 0.558) 2.760 2.445 ( -1.193 -0.193 0.809) 1.455 2.463 ( -1.321 -2.652 -1.877) 3.507 2.538 ( -1.729 -7.634 0.866) 7.875 2.624 ( 0.999 -0.944 -0.258) 1.399 2.637 ( -0.505 -2.356 -2.058) 3.169 2.694 ( 1.867 1.227 -1.152) 2.513 2.717 ( 0.665 -0.451 -1.546) 1.742 2.805 ( 0.340 -2.650 -1.810) 3.228 2.904 ( -1.624 -2.766 1.079) 3.384 2.915 ( -0.466 0.896 0.047) 1.011 3.006 ( -0.210 -3.816 -1.056) 3.965 3.057 ( -1.586 -0.733 0.405) 1.793 3.061 ( -0.512 -3.353 -0.395) 3.415 3.159 ( -2.085 -3.344 0.310) 3.953 3.174 ( 4.048 6.039 -2.799) 7.790 3.219 ( -2.832 0.687 -1.145) 3.131 3.262 ( -1.236 1.053 -1.471) 2.191 3.364 ( -1.502 3.942 0.354) 4.233 3.410 ( -0.093 2.511 -1.343) 2.850 3.543 ( -0.456 3.610 2.372) 4.344 3.793 ( 0.366 -0.652 2.871) 2.967 3.974 ( -0.333 5.382 4.587) 7.079 4.167 ( 0.165 1.898 0.089) 1.907 4.398 ( -4.361 7.791 9.122) 12.764 4.409 ( -0.881 -2.569 3.309) 4.281 4.684 ( -0.023 -4.370 0.839) 4.450 5.035 ( -0.252 -8.262 -0.061) 8.266 5.113 ( 8.715 8.990 -15.999) 20.316 5.818 ( 0.067 -2.847 -0.033) 2.848 5.948 ( 0.529 -4.963 -2.301) 5.496 6.218 ( -2.792 -8.972 3.523) 10.035 6.556 ( 2.098 -11.268 -3.265) 11.918 7.022 ( 3.424 -4.565 -2.241) 6.131 7.180 ( 2.677 5.902 -1.236) 6.598 7.274 ( 0.734 9.688 -1.742) 9.871 7.320 ( -3.374 -7.480 1.179) 8.290 7.582 ( -3.813 21.462 -8.063) 23.241 7.810 ( -0.559 4.190 -1.494) 4.483 8.350 ( -3.382 -8.077 5.988) 10.608 8.540 ( 2.967 3.106 1.636) 4.597 9.222 ( 1.313 6.169 0.394) 6.320 9.324 ( 13.759 9.155 2.933) 16.785 9.548 ( -5.934 2.964 3.510) 7.504 9.591 ( -1.916 1.689 -0.357) 2.579 9.640 ( 0.090 1.802 4.793) 5.121 9.800 ( -1.369 3.385 -1.340) 3.889 9.839 ( 1.247 8.063 -2.820) 8.632 9.951 ( -3.377 5.518 1.106) 6.564 10.141 ( 1.467 0.265 1.789) 2.329 10.721 ( -1.799 -1.622 -0.882) 2.578 10.947 ( -0.894 -14.702 -0.054) 14.730 11.304 ( 1.431 -7.411 -4.101) 8.590 12.181 ( -0.361 17.673 -0.771) 17.693 12.598 ( -0.012 -0.190 -1.143) 1.158 12.730 ( 4.402 15.013 -4.407) 16.253 12.879 ( 1.425 -4.364 1.264) 4.762 13.077 ( 1.743 5.453 -1.339) 5.880 13.108 ( -8.971 1.735 -0.164) 9.139 13.412 ( -2.146 -2.283 -1.752) 3.590 13.443 ( -1.115 -1.353 -1.820) 2.527 14.361 ( 2.396 -1.974 9.679) 10.165 15.048 ( 6.450 -0.320 -4.410) 7.820 15.117 ( -2.356 -0.624 0.113) 2.440 15.355 ( -1.805 -16.823 -3.729) 17.325 15.567 ( -2.617 -9.684 -0.267) 10.035 15.830 ( 3.673 -7.508 3.740) 9.157 15.980 ( -0.570 14.823 -2.326) 15.015 16.365 ( 2.798 5.664 5.290) 8.239 ======================= Grid point 108 (52/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 6.014 -0.000 -0.466) 6.032 0.604 ( -4.139 0.000 5.930) 7.232 0.670 ( -0.606 0.000 8.878) 8.899 0.768 ( 2.787 -0.000 2.751) 3.916 1.107 ( 0.424 -0.000 -1.990) 2.035 1.158 ( 1.546 -0.000 -2.845) 3.238 1.293 ( -0.318 0.000 0.916) 0.970 1.310 ( 0.956 -0.000 0.198) 0.977 1.425 ( 2.856 -0.000 -0.778) 2.960 1.560 ( 0.472 -0.000 -0.464) 0.662 1.601 ( 2.379 -0.000 -3.115) 3.920 1.662 ( 2.185 -0.000 -2.314) 3.182 1.697 ( 3.201 -0.000 -5.827) 6.648 1.727 ( 3.568 -0.000 -2.162) 4.172 1.728 ( 0.794 -0.000 0.121) 0.803 1.939 ( -3.044 0.000 -0.002) 3.044 1.941 ( -2.375 0.000 0.029) 2.375 2.031 ( -4.031 0.000 -0.213) 4.037 2.108 ( -0.144 0.000 -0.284) 0.319 2.186 ( -0.597 0.000 0.268) 0.654 2.379 ( 2.792 -0.000 -1.528) 3.183 2.398 ( 3.124 -0.000 0.157) 3.128 2.418 ( 0.483 -0.000 -0.588) 0.761 2.504 ( -0.606 0.000 0.609) 0.859 2.578 ( -0.616 0.000 -2.649) 2.720 2.605 ( -0.381 0.000 -1.144) 1.206 2.609 ( -2.525 0.000 2.362) 3.457 2.719 ( -0.032 0.000 0.545) 0.546 2.811 ( 2.625 -0.000 -3.923) 4.720 2.820 ( -5.843 0.000 1.380) 6.004 2.873 ( 8.146 -0.000 -1.263) 8.243 2.889 ( -0.573 0.000 0.140) 0.590 2.990 ( -2.804 0.000 -0.043) 2.805 3.056 ( 0.140 -0.000 -1.797) 1.803 3.058 ( -1.593 0.000 0.690) 1.736 3.164 ( 3.269 -0.000 0.341) 3.287 3.190 ( 6.140 -0.000 -2.026) 6.465 3.239 ( 4.349 -0.000 0.769) 4.416 3.285 ( -0.397 0.000 1.528) 1.579 3.340 ( -0.171 0.000 -0.320) 0.362 3.354 ( 1.553 -0.000 -0.240) 1.571 3.534 ( -0.709 0.000 1.671) 1.815 3.806 ( -2.169 0.000 0.802) 2.313 3.961 ( -2.168 0.000 3.423) 4.052 4.129 ( -1.902 0.000 0.976) 2.138 4.292 ( -6.264 0.000 13.016) 14.445 4.440 ( -3.250 0.000 1.287) 3.496 4.712 ( -2.175 0.000 1.124) 2.449 5.018 ( 8.588 -0.000 -17.668) 19.644 5.107 ( 0.112 -0.000 0.124) 0.167 5.857 ( 0.550 -0.000 -0.291) 0.622 6.030 ( 3.656 -0.000 -1.875) 4.109 6.339 ( 2.264 -0.000 5.205) 5.676 6.642 ( 4.029 -0.000 -6.315) 7.490 7.068 ( 0.849 -0.000 -3.027) 3.143 7.154 ( 1.753 -0.000 -3.469) 3.887 7.174 ( -0.319 0.000 0.446) 0.548 7.291 ( 0.461 -0.000 -2.291) 2.337 7.410 ( -0.427 0.000 2.913) 2.944 7.747 ( 0.334 -0.000 -0.920) 0.979 8.440 ( -4.282 0.000 6.329) 7.642 8.571 ( 1.563 -0.000 -0.412) 1.616 9.044 ( -2.963 0.000 -1.922) 3.531 9.416 ( -8.287 0.000 0.866) 8.332 9.468 ( -0.702 0.000 -0.129) 0.714 9.507 ( -0.315 0.000 6.607) 6.615 9.640 ( -4.188 0.000 6.125) 7.420 9.642 ( -0.001 0.000 -0.003) 0.003 9.803 ( 0.296 -0.000 -1.121) 1.159 9.994 ( 1.172 -0.000 -0.535) 1.288 10.176 ( -0.547 0.000 0.692) 0.881 10.648 ( -4.469 0.000 2.222) 4.991 11.123 ( 1.165 -0.000 0.379) 1.225 11.408 ( 6.661 -0.000 -5.431) 8.594 11.987 ( 0.717 -0.000 -0.058) 0.719 12.550 ( -0.276 0.000 -0.879) 0.922 12.623 ( 1.634 -0.000 -1.725) 2.376 12.947 ( -1.447 0.000 0.818) 1.663 12.977 ( -2.103 0.000 -1.690) 2.698 13.199 ( 9.504 -0.000 1.777) 9.669 13.392 ( 2.651 -0.000 -0.067) 2.652 13.461 ( 1.406 -0.000 -0.805) 1.620 14.475 ( -3.146 0.000 5.977) 6.755 14.934 ( -11.619 0.000 -1.884) 11.771 15.128 ( 3.645 -0.000 -0.211) 3.651 15.525 ( 2.619 -0.000 -3.973) 4.759 15.669 ( -1.067 0.000 0.210) 1.087 15.751 ( 1.362 -0.000 0.186) 1.374 15.896 ( -3.398 0.000 -2.272) 4.088 16.335 ( -2.980 0.000 2.187) 3.696 ======================= Grid point 109 (53/88) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 3.248 -8.118 -1.235) 8.831 0.615 ( -0.740 3.161 6.234) 7.029 0.737 ( -0.527 1.740 -1.404) 2.297 0.782 ( -0.610 -12.225 2.540) 12.501 1.098 ( -0.183 1.156 -2.126) 2.427 1.241 ( 1.029 2.985 0.656) 3.225 1.247 ( 1.188 -2.109 -0.826) 2.558 1.315 ( 1.475 -1.485 0.230) 2.105 1.475 ( 0.502 -2.675 -1.732) 3.226 1.573 ( 0.544 -0.424 -0.377) 0.786 1.619 ( 2.371 -1.512 -2.361) 3.672 1.672 ( 1.760 -0.796 -3.643) 4.124 1.713 ( 2.529 -1.818 -3.974) 5.049 1.741 ( 3.687 -0.432 -0.669) 3.773 1.762 ( 1.556 -2.457 -0.887) 3.040 1.918 ( 0.541 -1.645 0.232) 1.747 1.945 ( -2.746 -1.596 -0.365) 3.196 1.989 ( -4.139 0.108 0.671) 4.194 2.105 ( 0.542 0.658 0.507) 0.991 2.189 ( -0.773 -0.067 -0.918) 1.202 2.329 ( 3.197 2.716 -0.466) 4.220 2.413 ( -1.390 1.861 0.041) 2.323 2.439 ( 1.308 6.031 0.862) 6.231 2.497 ( -0.083 1.254 -0.805) 1.492 2.524 ( 0.083 -3.203 0.894) 3.327 2.588 ( -0.520 3.871 -1.233) 4.095 2.625 ( -1.407 -1.040 -0.464) 1.810 2.668 ( -0.836 1.528 -1.300) 2.173 2.747 ( -2.221 2.367 -2.365) 4.016 2.818 ( 1.009 2.496 -1.257) 2.971 2.845 ( -0.208 1.338 1.375) 1.929 2.952 ( 2.912 -0.679 0.484) 3.029 2.966 ( -1.374 1.143 -1.063) 2.079 3.046 ( 1.716 0.370 0.505) 1.827 3.072 ( -0.365 1.232 1.135) 1.714 3.148 ( 4.941 4.179 -0.066) 6.471 3.174 ( 0.940 2.813 -0.320) 2.983 3.279 ( 0.749 0.556 -1.005) 1.371 3.303 ( 4.502 -1.144 -1.162) 4.788 3.344 ( -0.431 -1.745 1.473) 2.324 3.409 ( 1.376 -2.465 0.271) 2.836 3.559 ( -0.869 -3.222 1.047) 3.498 3.810 ( -1.145 -2.731 0.407) 2.989 3.991 ( -2.839 -4.279 2.342) 5.644 4.131 ( -2.262 -1.307 1.023) 2.806 4.381 ( -2.872 3.950 1.681) 5.165 4.417 ( -5.953 -12.244 12.139) 18.240 4.659 ( -2.471 4.072 1.454) 4.980 5.037 ( 0.377 8.167 0.258) 8.180 5.094 ( 8.430 -8.640 -17.592) 21.335 5.824 ( 0.324 3.633 -0.478) 3.678 5.995 ( 3.616 5.539 -1.665) 6.821 6.279 ( 0.134 10.010 4.649) 11.037 6.560 ( 5.238 9.029 -8.157) 13.247 7.027 ( 0.623 4.989 -4.198) 6.549 7.198 ( 1.638 -6.131 -2.969) 7.006 7.274 ( 0.776 -9.506 -0.080) 9.538 7.328 ( 0.436 4.843 0.623) 4.902 7.497 ( 1.037 -15.832 0.258) 15.868 7.802 ( 1.360 -5.348 -0.403) 5.533 8.350 ( -2.742 6.848 6.443) 9.794 8.604 ( -0.144 -2.589 -2.439) 3.560 9.117 ( -4.609 -9.687 -0.269) 10.731 9.358 ( -9.434 -1.832 1.021) 9.664 9.506 ( -0.607 -1.751 5.401) 5.710 9.562 ( -0.159 -2.129 3.444) 4.052 9.668 ( -2.831 -3.786 1.681) 5.017 9.720 ( -1.549 -10.788 2.219) 11.122 9.799 ( 0.189 -0.284 -0.757) 0.830 10.030 ( -0.486 -4.245 -1.819) 4.644 10.158 ( -0.824 1.297 -0.063) 1.537 10.600 ( -3.568 3.253 3.519) 5.975 10.983 ( 1.969 13.761 -0.230) 13.903 11.384 ( 7.318 6.201 -4.612) 10.643 12.175 ( 0.763 -17.065 -0.037) 17.082 12.595 ( 0.610 -1.524 -0.540) 1.728 12.694 ( -0.283 -10.836 -2.462) 11.115 12.869 ( -2.198 4.388 -0.543) 4.938 13.018 ( -3.228 -4.238 -0.641) 5.366 13.270 ( 9.143 0.480 -0.990) 9.209 13.410 ( 6.224 2.533 2.321) 7.109 13.455 ( 2.321 1.298 -0.853) 2.793 14.452 ( -3.810 1.787 4.353) 6.054 14.852 ( -11.341 -2.123 -2.722) 11.854 15.160 ( 2.662 -0.725 0.225) 2.768 15.316 ( 2.163 16.008 -1.018) 16.186 15.555 ( 0.586 11.949 1.367) 12.041 15.794 ( -6.023 2.696 -0.012) 6.599 15.982 ( 2.365 -13.887 -1.572) 14.174 16.392 ( -3.170 -6.934 0.978) 7.687 ======================= Grid point 110 (54/88) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.135 -2.029 1.180) 2.351 0.639 ( 1.498 -7.313 -0.778) 7.505 0.724 ( 1.357 -1.618 -1.340) 2.501 1.001 ( -2.407 -2.685 -1.325) 3.841 1.038 ( -1.383 0.511 -1.929) 2.428 1.171 ( 0.881 -1.474 0.604) 1.820 1.211 ( 1.978 4.978 1.332) 5.520 1.435 ( 0.738 -2.581 -1.934) 3.309 1.483 ( -0.231 -3.496 -1.662) 3.877 1.570 ( 0.895 1.238 -0.448) 1.592 1.670 ( 1.098 0.466 -4.518) 4.673 1.696 ( 3.537 -5.677 -2.744) 7.229 1.754 ( -0.399 -1.234 0.118) 1.302 1.785 ( 1.156 -5.536 -0.381) 5.669 1.852 ( 1.967 -2.951 -1.458) 3.835 1.938 ( -0.650 -0.297 0.469) 0.854 1.995 ( 0.575 -5.135 -1.110) 5.285 2.038 ( 2.446 -5.182 0.664) 5.768 2.099 ( 1.228 0.088 0.830) 1.485 2.148 ( -1.003 2.780 -0.176) 2.960 2.290 ( -0.293 7.053 -0.141) 7.060 2.339 ( 2.886 0.731 -1.473) 3.321 2.378 ( 2.899 4.551 0.751) 5.448 2.456 ( -2.402 0.477 1.653) 2.954 2.500 ( -3.726 3.306 -2.138) 5.421 2.532 ( -1.152 5.577 -1.315) 5.844 2.593 ( 0.019 -1.466 -0.103) 1.470 2.634 ( -1.370 3.076 -1.617) 3.735 2.733 ( 0.837 -0.787 -1.493) 1.884 2.781 ( -1.788 -0.398 0.284) 1.854 2.834 ( 0.437 1.548 0.923) 1.854 2.897 ( -1.559 3.760 -0.442) 4.095 2.931 ( 1.716 5.584 0.203) 5.845 2.990 ( -0.474 4.255 0.370) 4.297 3.049 ( 1.402 0.997 1.543) 2.311 3.134 ( 1.936 3.962 0.463) 4.434 3.157 ( 2.177 -0.879 -0.723) 2.456 3.289 ( 1.155 -1.486 -2.677) 3.272 3.317 ( 0.211 0.541 0.263) 0.637 3.355 ( -0.460 1.575 0.740) 1.800 3.410 ( 1.271 1.796 1.737) 2.803 3.741 ( -0.194 -16.846 -0.327) 16.850 3.882 ( 0.260 -4.861 0.352) 4.881 4.085 ( -2.837 -7.371 2.347) 8.240 4.144 ( -2.219 -1.960 0.818) 3.071 4.285 ( -1.649 5.179 1.005) 5.527 4.525 ( -1.458 6.618 1.577) 6.958 4.715 ( -5.590 -16.465 10.377) 20.249 4.834 ( 0.486 14.896 0.532) 14.913 5.253 ( 7.305 -7.323 -14.274) 17.628 5.757 ( 0.451 2.210 -1.982) 3.002 5.911 ( 2.547 5.249 -0.979) 5.916 6.072 ( -1.574 12.499 1.985) 12.753 6.371 ( 5.470 12.114 -10.126) 16.709 6.924 ( -0.258 3.847 -2.382) 4.532 7.172 ( 0.088 10.140 2.594) 10.467 7.342 ( 2.133 -8.065 -5.452) 9.966 7.463 ( 0.267 -9.551 -2.931) 9.994 7.794 ( 6.262 -9.247 4.176) 11.923 7.921 ( 1.767 -5.716 -0.393) 5.996 8.298 ( -2.978 -1.852 7.069) 7.891 8.609 ( -2.972 -0.079 -2.362) 3.797 9.230 ( -7.209 -7.167 0.415) 10.174 9.382 ( -0.827 -4.937 -1.657) 5.273 9.561 ( -3.520 -0.423 8.148) 8.886 9.587 ( 0.161 -3.558 3.836) 5.234 9.741 ( -3.851 -5.571 3.288) 7.528 9.785 ( -0.046 1.010 -0.100) 1.016 9.989 ( -0.385 -16.116 -0.735) 16.137 10.090 ( -3.369 -3.265 -2.630) 5.379 10.152 ( -0.387 -3.355 -0.574) 3.426 10.530 ( -1.984 2.526 4.529) 5.552 10.746 ( 2.794 14.026 -0.894) 14.330 11.272 ( 7.304 10.708 -4.525) 13.729 12.496 ( 2.246 -14.746 -0.426) 14.922 12.631 ( 0.377 -5.133 -0.499) 5.171 12.766 ( -2.279 4.664 -1.158) 5.318 12.912 ( -2.110 -13.225 -2.563) 13.635 13.049 ( -4.529 -2.757 -0.078) 5.303 13.309 ( 5.785 2.034 -0.653) 6.167 13.418 ( 8.119 3.128 0.512) 8.716 13.466 ( 3.534 -0.475 -0.119) 3.568 14.405 ( -2.654 1.118 1.928) 3.465 14.800 ( -7.572 -0.215 -3.505) 8.346 15.046 ( -0.571 13.108 0.715) 13.140 15.186 ( 0.168 0.398 -2.904) 2.936 15.380 ( 4.236 9.207 8.487) 13.219 15.678 ( -6.090 4.393 -0.614) 7.534 16.223 ( 2.033 -10.790 -0.409) 10.988 16.495 ( -3.058 -6.845 -0.880) 7.549 ======================= Grid point 111 (55/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 1.182 -6.822 -0.557) 6.946 0.734 ( 0.136 -0.835 -1.116) 1.400 0.793 ( 1.508 -3.962 -1.283) 4.429 0.879 ( -0.612 7.348 -1.797) 7.590 0.980 ( -2.599 1.287 0.671) 2.977 1.123 ( 1.403 5.402 1.355) 5.743 1.352 ( 0.995 -8.644 -3.148) 9.253 1.422 ( 2.490 0.160 -4.506) 5.151 1.545 ( 0.232 -0.943 -0.072) 0.974 1.590 ( 1.200 -4.622 0.553) 4.807 1.643 ( 0.371 1.507 -3.430) 3.765 1.738 ( -1.576 2.356 -1.459) 3.188 1.807 ( 0.955 -3.751 -1.997) 4.356 1.863 ( -0.039 0.007 -0.723) 0.725 1.911 ( 1.399 -5.682 -0.320) 5.860 1.945 ( 0.830 0.169 1.004) 1.314 2.039 ( -0.594 2.589 0.217) 2.665 2.084 ( 0.088 2.291 1.261) 2.616 2.119 ( 1.310 -3.792 -1.100) 4.160 2.155 ( 2.366 0.246 -0.659) 2.468 2.244 ( 3.142 1.016 0.812) 3.401 2.251 ( 0.573 3.833 -2.145) 4.429 2.351 ( -4.549 4.767 -1.568) 6.773 2.415 ( 2.358 -3.393 -1.176) 4.296 2.457 ( 0.244 2.313 1.086) 2.567 2.493 ( 0.094 -1.100 0.068) 1.106 2.527 ( -2.404 2.911 -1.264) 3.981 2.619 ( 0.978 -1.240 -0.487) 1.653 2.725 ( -1.747 0.568 0.172) 1.845 2.789 ( 0.960 0.955 -0.470) 1.434 2.801 ( 0.248 3.416 0.815) 3.520 2.813 ( -1.429 0.330 -0.051) 1.468 2.881 ( -1.388 -1.046 0.635) 1.850 2.963 ( 0.376 0.846 0.151) 0.938 3.042 ( -0.807 4.739 1.782) 5.127 3.079 ( 2.145 -0.809 0.859) 2.449 3.178 ( 1.165 -0.580 -1.409) 1.918 3.278 ( -0.340 2.862 -1.378) 3.195 3.319 ( -0.119 -1.939 -2.636) 3.275 3.345 ( 0.890 -0.753 -0.407) 1.235 3.411 ( 0.845 0.706 1.211) 1.637 3.947 ( 0.343 -1.642 1.461) 2.225 4.061 ( -0.364 -14.351 -0.511) 14.365 4.179 ( -0.965 -3.541 1.924) 4.144 4.196 ( -0.986 0.503 1.353) 1.748 4.240 ( -2.341 -10.828 0.557) 11.093 4.375 ( -0.509 9.961 1.755) 10.127 4.537 ( 0.159 17.780 0.679) 17.793 5.017 ( -3.447 -16.052 6.444) 17.638 5.235 ( 0.889 9.733 -1.933) 9.963 5.799 ( 1.970 -5.595 -6.608) 8.880 5.862 ( 1.575 1.528 -0.938) 2.387 5.908 ( 1.362 2.144 -0.595) 2.609 6.146 ( 5.437 12.675 -11.622) 18.036 6.898 ( -0.494 -2.175 -0.327) 2.254 7.007 ( -0.505 8.124 1.297) 8.242 7.463 ( 2.628 -4.824 -4.977) 7.413 7.545 ( 0.507 -1.328 -4.197) 4.431 7.933 ( 4.185 -1.157 4.897) 6.544 7.983 ( -0.206 -0.016 -1.128) 1.147 8.408 ( -1.975 -6.862 7.825) 10.594 8.545 ( -4.072 3.149 0.278) 5.155 9.297 ( -2.981 -4.534 -0.270) 5.433 9.427 ( 1.059 -0.802 -0.030) 1.329 9.557 ( -1.749 -1.018 2.692) 3.368 9.712 ( -0.372 -4.187 7.247) 8.378 9.738 ( -1.016 2.821 -0.621) 3.062 9.806 ( -2.955 -2.241 4.064) 5.502 10.082 ( -4.083 0.092 2.398) 4.736 10.218 ( 0.427 -10.007 -1.979) 10.210 10.249 ( 0.074 -7.650 -3.084) 8.249 10.524 ( 3.383 11.739 -0.759) 12.240 10.601 ( -2.220 -9.554 2.255) 10.064 11.084 ( 5.829 13.679 -6.072) 16.061 12.612 ( 1.786 -1.454 -0.771) 2.429 12.675 ( -1.080 2.581 -1.065) 2.993 12.868 ( 2.043 -14.770 -1.020) 14.946 13.007 ( -1.195 1.108 -3.599) 3.951 13.070 ( -5.203 -3.407 1.946) 6.517 13.282 ( 4.166 3.009 -0.726) 5.190 13.427 ( 4.650 2.677 -0.996) 5.457 13.510 ( 2.037 -1.369 -1.489) 2.871 14.443 ( 0.214 -7.214 0.510) 7.235 14.614 ( -1.587 14.341 -1.615) 14.519 14.949 ( -4.224 -3.577 -0.545) 5.562 15.136 ( 1.140 2.869 -3.090) 4.368 15.390 ( 3.915 0.224 13.690) 14.241 15.548 ( -6.357 3.942 -2.355) 7.842 16.364 ( 0.556 -3.651 -0.594) 3.740 16.569 ( -0.825 -3.395 -0.608) 3.547 ======================= Grid point 112 (56/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.418 8.289 0.609) 8.321 0.691 ( -1.713 8.044 0.425) 8.235 0.763 ( 1.035 1.615 -1.019) 2.172 0.931 ( 3.500 -7.317 0.470) 8.125 1.023 ( -2.359 -6.602 -0.648) 7.041 1.075 ( -0.344 -0.200 0.108) 0.412 1.375 ( 2.559 6.075 -3.435) 7.433 1.426 ( 1.988 0.269 -3.951) 4.431 1.548 ( -0.227 1.020 -2.411) 2.628 1.600 ( -0.147 0.920 -4.116) 4.220 1.658 ( 1.541 1.431 -0.191) 2.112 1.713 ( 1.148 -2.478 1.609) 3.170 1.801 ( 0.789 5.500 0.661) 5.595 1.852 ( 1.086 1.208 -0.425) 1.679 1.895 ( -0.908 3.637 -0.501) 3.782 1.948 ( -1.689 -1.143 -1.524) 2.546 2.027 ( -0.784 3.877 -0.095) 3.957 2.065 ( 0.741 3.956 -0.987) 4.144 2.113 ( -0.927 -2.379 -0.605) 2.624 2.146 ( 0.380 -1.868 -0.705) 2.032 2.213 ( 2.221 -1.049 -0.979) 2.644 2.246 ( -3.366 1.485 1.855) 4.121 2.302 ( 0.591 -0.181 -3.661) 3.713 2.445 ( 0.238 -1.361 0.608) 1.509 2.480 ( 1.628 -3.865 0.143) 4.196 2.494 ( -1.048 -3.373 -0.630) 3.588 2.585 ( 3.826 -1.427 0.335) 4.097 2.663 ( 2.241 -3.782 -1.434) 4.624 2.711 ( -2.188 -1.282 2.256) 3.394 2.758 ( -0.226 1.608 -0.283) 1.649 2.808 ( 1.514 -2.223 -0.592) 2.754 2.856 ( -0.044 -3.715 0.625) 3.768 2.913 ( -0.708 -0.329 1.649) 1.824 2.932 ( -1.524 -0.984 0.017) 1.814 2.987 ( -1.366 -0.544 -0.747) 1.649 3.117 ( 1.222 2.428 0.929) 2.873 3.177 ( 0.355 -0.932 -0.952) 1.379 3.257 ( 1.051 -2.374 -1.192) 2.857 3.338 ( 0.042 1.692 -0.507) 1.767 3.346 ( -0.307 -1.430 -3.289) 3.599 3.401 ( -0.972 0.031 -1.214) 1.555 3.918 ( -0.351 4.995 2.201) 5.470 4.069 ( 0.440 15.533 0.075) 15.539 4.175 ( -1.350 5.300 2.933) 6.206 4.189 ( -0.502 -3.377 2.091) 4.004 4.293 ( 1.126 8.021 0.603) 8.122 4.388 ( -1.508 -11.267 0.633) 11.386 4.518 ( -0.898 -18.529 0.272) 18.553 4.980 ( -2.958 16.892 5.935) 18.147 5.250 ( 0.869 -8.692 -1.389) 8.845 5.790 ( 1.133 1.519 -1.577) 2.465 5.898 ( -0.060 -5.418 1.214) 5.552 5.925 ( 3.177 9.047 -9.708) 13.645 6.089 ( 5.778 -13.644 -6.812) 16.308 6.915 ( 0.235 1.784 0.180) 1.808 6.988 ( -1.248 -7.698 1.221) 7.894 7.450 ( 3.856 6.359 -3.451) 8.198 7.553 ( 1.165 -0.086 -3.918) 4.089 7.905 ( -3.902 4.429 -3.707) 6.971 7.960 ( 0.961 2.407 1.731) 3.116 8.416 ( -5.520 5.527 3.819) 8.695 8.555 ( 1.860 -3.464 5.816) 7.020 9.317 ( 1.082 1.795 2.999) 3.659 9.449 ( 1.011 -0.624 0.439) 1.267 9.578 ( -1.074 0.211 3.570) 3.734 9.679 ( -4.101 1.905 0.933) 4.616 9.765 ( 0.260 -0.839 2.304) 2.466 9.824 ( -2.799 -2.019 0.368) 3.471 10.060 ( 0.101 2.818 7.756) 8.253 10.256 ( 2.152 10.585 0.379) 10.808 10.353 ( 1.108 -0.145 -4.575) 4.709 10.441 ( 0.303 -9.964 -3.251) 10.485 10.753 ( -4.410 0.581 -2.460) 5.083 10.923 ( 4.930 -3.870 -5.718) 8.483 12.589 ( -0.460 1.801 -2.294) 2.952 12.702 ( 1.392 -2.938 0.699) 3.326 12.854 ( 0.002 12.763 -1.665) 12.872 13.026 ( 2.778 0.328 2.010) 3.444 13.125 ( -2.347 -7.814 -2.791) 8.623 13.304 ( 2.142 -1.801 -1.118) 3.014 13.356 ( 0.813 6.856 -2.463) 7.331 13.488 ( -1.254 3.719 -5.852) 7.046 14.386 ( 0.056 8.073 3.051) 8.631 14.666 ( 2.110 -15.009 1.120) 15.198 15.024 ( -1.749 -6.871 -0.343) 7.098 15.098 ( 1.513 1.285 -1.957) 2.788 15.422 ( -6.725 2.102 -3.813) 8.011 15.523 ( 2.935 -4.999 13.263) 14.475 16.351 ( -0.782 4.214 -1.395) 4.507 16.585 ( 1.342 2.300 1.283) 2.956 ======================= Grid point 113 (57/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -0.592 5.367 4.224) 6.856 0.554 ( -0.243 6.641 4.219) 7.872 0.676 ( 1.533 6.580 1.161) 6.855 1.081 ( 0.653 -5.054 -0.318) 5.106 1.093 ( 1.403 6.803 -1.109) 7.034 1.128 ( -0.435 -6.984 -0.358) 7.006 1.174 ( -1.222 4.553 -1.166) 4.856 1.429 ( 0.454 3.010 -0.482) 3.082 1.497 ( 1.525 3.703 -1.667) 4.338 1.582 ( 0.099 -0.752 -2.557) 2.667 1.646 ( 0.870 4.263 -1.890) 4.744 1.675 ( 3.532 -0.235 -2.620) 4.404 1.754 ( -0.367 3.556 1.089) 3.737 1.768 ( 0.834 5.330 -2.373) 5.894 1.853 ( -2.035 6.613 -0.656) 6.950 1.896 ( 2.563 1.130 -0.940) 2.955 1.986 ( 0.349 -0.249 -0.949) 1.041 2.015 ( -1.909 -0.867 -0.894) 2.279 2.110 ( -0.148 0.039 -0.352) 0.383 2.204 ( -0.402 0.241 0.321) 0.568 2.254 ( 1.601 -0.844 -0.864) 2.006 2.298 ( -1.794 -9.812 -0.403) 9.983 2.333 ( 0.522 -6.443 -1.575) 6.653 2.474 ( -0.266 0.125 1.122) 1.160 2.537 ( 1.508 -1.596 -0.686) 2.301 2.573 ( 0.004 -2.674 1.690) 3.163 2.624 ( 1.976 -2.044 -0.282) 2.857 2.714 ( 0.873 1.827 -1.158) 2.333 2.718 ( 0.255 0.134 0.079) 0.299 2.759 ( 0.769 -3.171 -1.752) 3.704 2.848 ( -1.407 -1.334 0.337) 1.968 2.914 ( 0.380 -2.463 1.351) 2.834 2.947 ( -0.238 -4.076 -1.445) 4.331 2.978 ( 0.697 -3.527 -0.596) 3.644 3.003 ( -1.964 -2.437 0.114) 3.132 3.091 ( -0.476 -1.728 0.599) 1.890 3.197 ( -0.736 -0.307 -1.808) 1.976 3.271 ( 1.896 2.458 -1.979) 3.682 3.293 ( 0.120 3.318 -0.754) 3.405 3.364 ( -1.394 -2.521 0.646) 2.952 3.399 ( -1.072 -1.846 -1.997) 2.923 3.736 ( 0.279 16.423 0.541) 16.434 3.850 ( 0.530 4.918 2.634) 5.605 4.087 ( -1.173 5.884 3.630) 7.012 4.207 ( -0.250 2.845 -0.534) 2.905 4.295 ( -0.858 -6.547 2.754) 7.155 4.552 ( -1.195 -6.849 0.606) 6.978 4.685 ( -4.109 15.422 9.822) 18.740 4.823 ( -0.203 -15.238 0.159) 15.240 5.271 ( 6.243 6.332 -12.395) 15.255 5.775 ( 1.155 -0.775 -2.331) 2.714 5.865 ( 1.311 -3.052 -2.168) 3.966 6.050 ( -0.037 -9.892 2.194) 10.133 6.349 ( 3.750 -13.314 -4.315) 14.490 6.944 ( 1.063 -4.260 -1.096) 4.525 7.141 ( -1.963 -9.548 1.837) 9.920 7.330 ( 3.879 8.257 -3.462) 9.758 7.466 ( 1.762 9.610 -1.865) 9.947 7.764 ( -3.606 6.900 -7.030) 10.489 7.893 ( 0.321 5.374 -0.588) 5.416 8.300 ( -4.292 3.156 5.982) 8.011 8.618 ( 2.353 0.898 3.257) 4.117 9.298 ( 1.025 3.169 5.214) 6.187 9.460 ( 1.732 0.768 0.119) 1.898 9.568 ( -3.823 1.398 4.105) 5.781 9.597 ( -5.523 2.371 0.574) 6.038 9.761 ( 0.272 2.628 -0.304) 2.660 9.830 ( -0.001 2.296 -0.898) 2.465 10.019 ( 2.493 9.996 1.106) 10.361 10.051 ( -1.697 7.278 3.525) 8.263 10.226 ( 0.695 9.278 -3.904) 10.090 10.633 ( -4.486 -7.572 -1.149) 8.876 10.700 ( 0.874 -8.410 -2.273) 8.755 11.131 ( 4.065 -11.931 -4.329) 13.328 12.489 ( -0.103 14.029 -2.919) 14.330 12.611 ( 0.243 4.656 0.580) 4.698 12.809 ( 0.703 -4.596 0.349) 4.662 13.030 ( 8.581 8.616 -0.695) 12.180 13.095 ( -7.006 6.781 -2.764) 10.134 13.185 ( -0.374 5.730 -2.545) 6.281 13.351 ( 0.059 -1.311 -1.679) 2.131 13.397 ( -0.599 -1.170 -3.705) 3.931 14.372 ( 0.848 -1.624 7.321) 7.547 14.957 ( 1.805 -14.041 -0.675) 14.172 15.088 ( -0.633 -0.417 -1.206) 1.424 15.139 ( 0.429 -5.254 -0.450) 5.291 15.373 ( -5.019 -6.520 -3.242) 8.844 15.715 ( 1.462 -8.463 8.230) 11.895 16.204 ( -0.242 10.933 -1.660) 11.061 16.519 ( 0.965 6.744 2.989) 7.439 ======================= Grid point 116 (58/88) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 2.074 -0.000 -2.738) 3.435 0.533 ( -7.819 0.000 0.529) 7.837 0.719 ( -2.555 0.000 7.146) 7.589 0.812 ( 3.304 -0.000 -2.929) 4.415 1.098 ( 0.675 -0.000 -1.994) 2.105 1.183 ( 3.136 -0.000 -0.721) 3.217 1.302 ( 0.637 -0.000 0.433) 0.770 1.330 ( 0.836 -0.000 0.968) 1.279 1.445 ( 1.145 -0.000 -1.386) 1.798 1.562 ( 0.373 -0.000 -0.780) 0.864 1.628 ( 3.329 -0.000 -2.433) 4.124 1.669 ( 1.437 -0.000 -2.915) 3.249 1.690 ( 3.008 -0.000 -8.065) 8.608 1.751 ( 1.826 -0.000 0.087) 1.828 1.776 ( 4.307 -0.000 -0.832) 4.387 1.889 ( -3.861 0.000 0.026) 3.861 1.900 ( -2.836 0.000 1.616) 3.264 1.957 ( -5.130 0.000 0.088) 5.131 2.111 ( 0.295 -0.000 -0.137) 0.325 2.169 ( -1.302 0.000 0.277) 1.331 2.419 ( 3.733 -0.000 -2.090) 4.278 2.427 ( 1.157 -0.000 0.040) 1.158 2.462 ( 4.580 -0.000 0.474) 4.605 2.491 ( -1.952 0.000 0.737) 2.087 2.549 ( -0.837 0.000 -0.759) 1.130 2.596 ( -0.212 0.000 0.187) 0.283 2.596 ( -1.941 0.000 2.729) 3.349 2.714 ( -3.518 0.000 -3.362) 4.866 2.715 ( -1.453 0.000 1.353) 1.986 2.859 ( 3.214 -0.000 0.583) 3.266 2.880 ( -0.525 0.000 0.072) 0.530 2.938 ( 2.182 -0.000 -2.576) 3.376 2.947 ( -2.115 0.000 -0.805) 2.263 3.054 ( 0.622 -0.000 -0.730) 0.959 3.088 ( 4.519 -0.000 1.025) 4.634 3.210 ( 0.424 -0.000 1.319) 1.386 3.267 ( 5.649 -0.000 -1.993) 5.990 3.282 ( 1.063 -0.000 -0.522) 1.184 3.325 ( 1.172 -0.000 1.534) 1.930 3.357 ( 3.565 -0.000 1.185) 3.757 3.375 ( 1.695 -0.000 -1.378) 2.184 3.548 ( 1.991 -0.000 1.299) 2.378 3.770 ( -3.181 0.000 0.849) 3.292 3.933 ( -3.635 0.000 1.468) 3.920 4.108 ( -2.184 0.000 2.080) 3.016 4.302 ( -6.506 0.000 12.775) 14.337 4.398 ( -3.552 0.000 1.207) 3.752 4.683 ( -2.680 0.000 1.265) 2.963 5.001 ( 8.781 -0.000 -18.321) 20.316 5.115 ( 0.553 -0.000 0.344) 0.652 5.862 ( 0.325 -0.000 0.035) 0.326 6.076 ( 4.287 -0.000 -2.332) 4.880 6.408 ( -2.488 0.000 9.485) 9.806 6.669 ( 8.783 -0.000 -11.712) 14.639 7.042 ( -0.271 0.000 -4.042) 4.051 7.151 ( 1.646 -0.000 -3.704) 4.053 7.158 ( -1.127 0.000 -1.251) 1.684 7.279 ( 0.243 -0.000 -1.711) 1.728 7.432 ( 0.042 -0.000 3.284) 3.284 7.756 ( 1.114 -0.000 0.198) 1.132 8.427 ( -3.758 0.000 5.647) 6.783 8.580 ( 0.455 -0.000 -1.191) 1.275 8.987 ( -1.202 0.000 -2.781) 3.030 9.254 ( -12.728 0.000 -0.116) 12.729 9.478 ( 0.562 -0.000 2.472) 2.535 9.558 ( -0.012 0.000 4.986) 4.986 9.623 ( -4.340 0.000 6.169) 7.543 9.638 ( -1.527 0.000 1.952) 2.478 9.801 ( 0.561 -0.000 -0.791) 0.970 9.978 ( -0.098 0.000 -2.719) 2.721 10.165 ( -0.596 0.000 -0.702) 0.921 10.626 ( -2.251 0.000 4.688) 5.201 11.139 ( 0.465 -0.000 -0.010) 0.465 11.475 ( 6.487 -0.000 -4.295) 7.780 12.003 ( 0.975 -0.000 0.396) 1.053 12.541 ( 0.160 -0.000 -0.919) 0.933 12.633 ( 1.424 -0.000 -1.608) 2.148 12.919 ( -2.261 0.000 -0.174) 2.268 12.926 ( -2.774 0.000 -0.982) 2.942 13.331 ( 7.388 -0.000 -1.768) 7.596 13.479 ( 1.605 -0.000 -0.674) 1.741 13.515 ( 10.048 -0.000 3.124) 10.522 14.453 ( -4.537 0.000 4.559) 6.432 14.723 ( -12.548 0.000 -2.908) 12.880 15.171 ( 2.928 -0.000 -1.095) 3.126 15.552 ( 0.328 -0.000 2.699) 2.719 15.658 ( -0.628 0.000 0.586) 0.858 15.772 ( 1.069 -0.000 -0.153) 1.080 15.816 ( -2.029 0.000 -3.012) 3.632 16.294 ( -3.937 0.000 0.013) 3.937 ======================= Grid point 117 (59/88) ======================= q-point: (-0.57 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.027 -7.136 -3.220) 7.829 0.611 ( -4.677 -8.350 1.116) 9.635 0.685 ( -2.339 0.947 1.474) 2.923 0.813 ( 1.469 -3.021 -1.898) 3.858 1.079 ( 0.271 2.306 -2.438) 3.366 1.253 ( 0.478 4.754 0.016) 4.778 1.273 ( 1.623 -3.300 0.427) 3.702 1.342 ( 1.145 -1.332 1.421) 2.259 1.459 ( -0.048 -0.901 -2.364) 2.530 1.579 ( 0.596 -0.719 -0.778) 1.215 1.634 ( 2.346 -1.655 -4.105) 5.009 1.669 ( 2.175 -0.559 -3.491) 4.151 1.709 ( 1.154 -2.450 -4.037) 4.862 1.761 ( 1.149 0.382 0.067) 1.213 1.826 ( 4.767 -2.354 -0.336) 5.327 1.899 ( -3.826 -1.363 -1.235) 4.245 1.908 ( -0.809 -3.373 -0.141) 3.472 1.938 ( -2.216 -4.600 1.234) 5.253 2.114 ( -0.414 -0.068 0.418) 0.592 2.176 ( -0.129 -0.590 0.092) 0.611 2.368 ( 2.414 3.793 -1.513) 4.744 2.394 ( -1.074 4.802 -0.634) 4.961 2.469 ( -0.353 2.570 2.099) 3.337 2.486 ( 0.788 2.567 2.062) 3.385 2.545 ( 2.318 -1.635 -0.702) 2.922 2.573 ( -0.437 3.306 -0.020) 3.334 2.607 ( -0.225 2.567 0.024) 2.576 2.657 ( 0.448 2.042 -0.439) 2.136 2.699 ( -1.699 -2.202 -1.582) 3.199 2.805 ( -0.352 4.413 -0.940) 4.526 2.875 ( 1.246 1.857 1.501) 2.693 2.931 ( -1.841 0.384 -0.723) 2.015 2.974 ( 0.998 -0.528 -1.163) 1.620 3.060 ( -0.772 1.450 0.721) 1.794 3.123 ( 3.943 2.746 1.373) 4.997 3.180 ( 0.484 1.920 0.548) 2.054 3.239 ( 4.974 3.560 -0.559) 6.143 3.285 ( 1.882 1.641 -1.717) 3.031 3.339 ( -0.251 0.578 1.120) 1.285 3.355 ( 2.026 -0.414 -1.430) 2.514 3.439 ( 0.930 -3.343 1.323) 3.713 3.554 ( -0.413 0.080 1.049) 1.130 3.793 ( -1.030 -4.760 0.132) 4.872 3.952 ( -3.936 -4.684 1.383) 6.273 4.113 ( -1.609 -1.048 2.074) 2.827 4.346 ( -2.877 3.051 0.746) 4.260 4.420 ( -6.531 -12.171 11.726) 18.118 4.634 ( -2.247 3.565 1.668) 4.532 5.047 ( 0.600 8.008 0.211) 8.033 5.081 ( 9.166 -8.838 -17.828) 21.908 5.826 ( 0.108 4.010 0.188) 4.016 6.037 ( 3.490 5.982 -1.967) 7.200 6.293 ( -3.726 11.943 5.587) 13.702 6.571 ( 6.402 10.301 -12.022) 17.077 6.992 ( 0.366 4.790 -5.618) 7.392 7.196 ( 1.404 -6.957 -3.414) 7.876 7.252 ( -1.310 -8.803 -2.550) 9.258 7.369 ( 0.956 6.325 4.752) 7.969 7.541 ( 3.089 -22.624 3.179) 23.054 7.827 ( 1.791 -5.835 0.172) 6.106 8.367 ( -2.148 5.916 6.615) 9.130 8.563 ( -0.643 -0.419 -4.608) 4.672 9.057 ( -5.595 -6.555 2.427) 8.953 9.202 ( -7.540 -8.084 -3.998) 11.755 9.549 ( -0.347 -1.641 5.780) 6.018 9.577 ( -1.655 -2.544 3.628) 4.731 9.630 ( -3.831 -1.109 2.144) 4.528 9.727 ( -0.385 -11.162 2.935) 11.548 9.801 ( 0.581 -0.044 -0.386) 0.699 10.005 ( 0.609 -3.578 -1.903) 4.098 10.142 ( -0.527 1.505 -1.019) 1.893 10.602 ( -1.240 3.301 5.147) 6.239 11.003 ( 0.970 12.713 -0.391) 12.756 11.451 ( 5.287 5.799 -4.172) 8.887 12.188 ( 0.583 -17.008 0.306) 17.020 12.603 ( 0.935 -2.653 -0.410) 2.843 12.674 ( 0.268 -8.010 -2.469) 8.386 12.824 ( -2.327 4.544 -1.217) 5.248 12.968 ( -2.367 -3.425 -0.045) 4.164 13.374 ( 5.922 0.598 -0.057) 5.952 13.481 ( 1.924 0.603 -0.967) 2.236 13.573 ( 10.217 3.577 1.253) 10.897 14.420 ( -3.292 1.807 1.244) 3.956 14.653 ( -11.742 -4.138 -0.622) 12.465 15.188 ( 2.524 0.925 -0.688) 2.775 15.348 ( 0.798 16.221 2.173) 16.386 15.599 ( 1.859 8.707 3.496) 9.565 15.691 ( -6.077 3.257 -1.172) 6.993 16.013 ( 2.773 -14.004 -0.639) 14.291 16.329 ( -4.145 -7.051 -1.979) 8.416 ======================= Grid point 118 (60/88) ======================= q-point: (-0.43 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.282 -6.025 -1.812) 6.299 0.640 ( -1.252 -3.306 0.654) 3.595 0.723 ( -0.379 -4.250 -1.126) 4.413 0.964 ( -0.298 -3.371 -2.655) 4.302 1.008 ( -0.206 1.432 -1.854) 2.352 1.176 ( -0.413 -1.535 -0.349) 1.627 1.242 ( 0.501 5.376 1.390) 5.575 1.425 ( 0.680 -0.304 -2.751) 2.850 1.478 ( 0.177 -5.870 0.796) 5.927 1.578 ( 0.481 0.541 -0.905) 1.159 1.648 ( 0.996 0.617 -3.854) 4.028 1.727 ( 2.912 -4.457 -3.126) 6.174 1.738 ( -0.867 -1.001 -1.313) 1.865 1.809 ( 1.172 -4.085 0.466) 4.276 1.853 ( 1.342 -1.072 -2.491) 3.026 1.919 ( -2.638 -3.794 1.060) 4.741 2.001 ( 1.844 -5.766 -1.510) 6.239 2.073 ( 0.899 -6.109 0.210) 6.178 2.116 ( -0.507 -1.882 0.231) 1.962 2.157 ( 2.017 2.744 0.125) 3.408 2.278 ( 0.007 5.945 -1.640) 6.167 2.353 ( -0.001 0.759 0.117) 0.768 2.416 ( 0.692 2.893 0.600) 3.034 2.435 ( -1.982 5.615 0.063) 5.955 2.460 ( 1.613 4.352 1.415) 4.852 2.534 ( 0.251 4.107 0.636) 4.163 2.600 ( 1.025 -0.324 -1.083) 1.526 2.612 ( 0.403 3.687 -0.506) 3.744 2.728 ( 0.718 -0.297 -1.558) 1.741 2.759 ( -0.793 -1.791 -1.160) 2.276 2.831 ( -1.425 2.942 0.805) 3.366 2.869 ( -1.784 4.708 0.019) 5.034 2.959 ( 1.618 4.632 0.175) 4.909 2.978 ( -1.728 3.349 0.824) 3.857 3.081 ( 1.955 1.676 -0.056) 2.576 3.150 ( 0.554 4.547 0.064) 4.581 3.215 ( 3.500 3.291 0.397) 4.820 3.277 ( 0.442 -0.402 -2.839) 2.902 3.314 ( -1.191 1.770 0.487) 2.188 3.358 ( 0.892 0.491 -0.075) 1.021 3.439 ( 0.124 0.926 2.196) 2.387 3.732 ( -0.422 -17.481 -0.528) 17.494 3.892 ( 0.331 -5.468 0.587) 5.509 4.044 ( -3.757 -8.447 1.386) 9.348 4.134 ( -0.921 -1.542 1.970) 2.665 4.265 ( -1.560 4.223 0.325) 4.514 4.522 ( -0.618 6.152 1.725) 6.419 4.705 ( -6.508 -16.876 9.991) 20.663 4.846 ( 0.200 14.805 0.655) 14.820 5.253 ( 8.262 -7.581 -14.410) 18.259 5.752 ( 0.703 2.840 -1.183) 3.156 5.937 ( 1.656 6.093 -1.066) 6.403 6.059 ( -1.980 11.760 1.879) 12.073 6.358 ( 4.863 12.307 -12.173) 17.980 6.897 ( -0.084 2.788 -3.170) 4.222 7.182 ( -1.035 10.555 2.037) 10.799 7.331 ( 1.346 -8.203 -4.241) 9.332 7.437 ( 0.168 -8.362 -3.258) 8.976 7.937 ( 1.053 -6.616 1.131) 6.794 7.965 ( 7.658 -8.170 6.665) 13.031 8.310 ( -3.093 -1.727 6.450) 7.359 8.543 ( -2.413 0.317 -2.407) 3.423 9.123 ( -6.641 -9.171 0.968) 11.364 9.374 ( 1.036 -8.471 -2.151) 8.801 9.560 ( -3.155 1.047 5.346) 6.295 9.610 ( -2.309 -5.557 3.689) 7.058 9.708 ( -3.077 -6.509 3.170) 7.867 9.783 ( 0.487 1.552 -0.749) 1.791 9.977 ( -1.569 -12.534 0.657) 12.648 10.081 ( 3.776 -2.849 0.928) 4.820 10.125 ( -0.561 -3.830 -2.728) 4.735 10.555 ( -0.312 2.617 4.689) 5.379 10.775 ( 1.483 13.295 -0.525) 13.388 11.317 ( 3.190 10.946 -5.211) 12.536 12.527 ( 1.639 -18.183 -0.179) 18.258 12.629 ( 0.380 -2.290 -0.723) 2.431 12.720 ( -1.699 4.197 -1.748) 4.853 12.868 ( -0.204 -11.583 -3.472) 12.093 13.006 ( -1.519 -2.354 1.518) 3.186 13.383 ( 3.283 3.501 1.140) 4.933 13.489 ( 2.299 -0.268 -1.804) 2.935 13.566 ( 7.696 5.127 0.324) 9.254 14.372 ( -1.388 -0.805 -3.831) 4.153 14.673 ( -7.924 -4.576 4.614) 10.248 15.032 ( -0.559 15.747 -1.518) 15.830 15.193 ( 2.525 3.690 0.866) 4.555 15.511 ( 1.752 4.741 7.416) 8.974 15.563 ( -5.851 4.487 -2.179) 7.689 16.245 ( 1.092 -9.643 -0.764) 9.735 16.439 ( -2.085 -8.809 -1.705) 9.211 ======================= Grid point 119 (61/88) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.176 -5.932 0.095) 5.936 0.718 ( 0.042 -3.347 -2.374) 4.103 0.800 ( 0.911 0.225 -0.465) 1.047 0.866 ( -0.142 1.380 -2.466) 2.829 0.958 ( -0.119 2.940 0.905) 3.078 1.138 ( -0.877 6.214 1.337) 6.417 1.341 ( 1.787 -9.227 -4.373) 10.366 1.423 ( 2.087 -0.691 -3.636) 4.249 1.550 ( 1.218 0.159 -0.872) 1.506 1.613 ( 0.344 -5.338 1.975) 5.702 1.621 ( 0.373 0.616 -2.924) 3.012 1.701 ( -1.645 2.559 -0.833) 3.154 1.805 ( 1.138 -3.500 -2.460) 4.427 1.846 ( -0.405 -0.606 -1.670) 1.822 1.931 ( 0.407 -4.635 0.754) 4.714 1.974 ( 2.265 -1.537 0.990) 2.911 2.034 ( -0.263 4.245 -0.595) 4.294 2.079 ( -1.470 1.593 0.454) 2.215 2.115 ( 0.374 0.802 -0.979) 1.320 2.189 ( 2.247 -0.670 -2.601) 3.502 2.224 ( -1.858 2.797 -2.039) 3.928 2.280 ( -1.263 3.951 1.300) 4.346 2.319 ( 3.004 1.867 0.095) 3.538 2.413 ( -0.373 -0.274 -0.507) 0.687 2.481 ( 1.220 2.203 0.435) 2.556 2.492 ( -0.404 5.123 -0.190) 5.142 2.514 ( 0.743 -7.262 0.309) 7.306 2.642 ( 2.178 -0.681 -0.489) 2.334 2.711 ( -0.868 1.896 1.222) 2.417 2.768 ( -1.347 0.817 -1.994) 2.541 2.792 ( -1.527 0.320 -0.137) 1.566 2.816 ( 0.661 -2.193 1.300) 2.634 2.874 ( -0.240 2.157 0.051) 2.171 2.967 ( 0.531 0.080 0.127) 0.552 3.026 ( -1.820 6.306 0.545) 6.586 3.127 ( 2.018 -2.551 1.185) 3.461 3.180 ( -0.922 1.853 -1.217) 2.401 3.256 ( 0.150 2.203 -1.382) 2.605 3.292 ( 0.930 -1.269 -3.011) 3.398 3.363 ( 1.342 0.613 -0.542) 1.572 3.434 ( 0.549 1.809 1.482) 2.402 3.956 ( -1.132 -1.410 1.491) 2.344 4.053 ( -0.036 -15.318 -0.511) 15.326 4.176 ( -1.533 -1.212 2.037) 2.823 4.189 ( -1.793 -2.276 2.013) 3.528 4.220 ( -0.155 -12.022 -0.006) 12.023 4.386 ( -0.042 9.920 1.646) 10.056 4.542 ( -0.233 18.054 0.679) 18.069 5.010 ( -4.096 -16.583 6.121) 18.145 5.237 ( 1.205 9.843 -1.602) 10.045 5.787 ( 2.597 -3.904 -4.964) 6.829 5.874 ( 1.324 1.268 -1.523) 2.384 5.928 ( 1.920 -0.139 -1.140) 2.238 6.122 ( 4.490 12.380 -12.384) 18.077 6.888 ( -0.172 -2.941 -0.591) 3.004 7.005 ( -1.036 8.237 1.334) 8.409 7.458 ( 0.936 -6.857 -3.911) 7.949 7.520 ( 2.025 -1.198 -4.697) 5.253 7.959 ( -0.980 2.795 -0.655) 3.033 8.039 ( 2.985 3.912 3.576) 6.083 8.426 ( -3.880 -3.969 6.802) 8.779 8.516 ( -1.118 -1.967 2.820) 3.615 9.274 ( -0.833 -8.239 1.673) 8.448 9.434 ( 0.200 -1.228 -1.402) 1.874 9.560 ( -1.318 -1.899 4.383) 4.955 9.681 ( -5.374 0.492 1.341) 5.561 9.753 ( -0.568 -1.885 1.458) 2.450 9.797 ( 0.059 -0.058 1.829) 1.831 10.078 ( -2.366 -3.761 5.743) 7.261 10.189 ( -0.509 -9.341 -2.381) 9.653 10.293 ( 6.651 -6.363 -1.396) 9.310 10.553 ( 1.019 12.679 -0.890) 12.751 10.600 ( 0.408 -7.354 2.248) 7.701 11.075 ( 0.587 14.203 -7.737) 16.185 12.620 ( 0.740 2.314 -1.176) 2.699 12.664 ( 0.356 -1.298 -0.811) 1.572 12.874 ( 0.273 -16.785 -1.554) 16.859 12.967 ( 0.007 -0.351 -3.613) 3.630 13.047 ( 0.133 -1.143 2.691) 2.927 13.320 ( 1.094 4.047 -0.395) 4.210 13.483 ( 3.158 3.960 -3.184) 5.983 13.518 ( 1.344 3.587 -0.450) 3.857 14.441 ( 0.656 -8.074 -3.867) 8.976 14.619 ( 0.822 10.542 4.835) 11.626 14.878 ( -4.158 -4.337 0.335) 6.017 15.148 ( 1.606 3.522 0.925) 3.980 15.413 ( -6.493 3.955 -4.175) 8.673 15.541 ( 1.628 -0.773 9.632) 9.799 16.350 ( -0.663 -2.847 -1.266) 3.185 16.567 ( 0.572 -5.444 -0.138) 5.475 ======================= Grid point 120 (62/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.975 8.596 -0.511) 8.666 0.689 ( 0.454 4.744 1.842) 5.109 0.768 ( 1.096 0.987 -1.506) 2.108 0.963 ( -1.741 -7.416 -0.076) 7.617 1.005 ( 2.314 -6.280 0.065) 6.693 1.059 ( -1.421 0.289 0.117) 1.455 1.377 ( 1.068 8.387 -2.854) 8.924 1.420 ( 2.283 -1.250 -4.842) 5.497 1.535 ( 0.455 1.015 -1.282) 1.697 1.569 ( 0.560 1.118 -2.847) 3.109 1.675 ( 0.938 -0.562 -1.096) 1.548 1.744 ( 1.308 -2.437 1.053) 2.960 1.814 ( 0.289 5.688 -0.318) 5.705 1.856 ( -0.068 -1.821 -0.163) 1.829 1.895 ( 1.544 6.806 -0.686) 7.013 1.918 ( -0.633 1.197 -1.013) 1.691 2.022 ( 0.635 3.941 0.133) 3.994 2.063 ( -0.330 3.475 -1.026) 3.638 2.100 ( 0.250 -5.609 -0.416) 5.630 2.139 ( -0.653 1.254 -0.234) 1.433 2.209 ( -1.363 0.162 -0.118) 1.377 2.234 ( 1.486 -1.654 -0.591) 2.301 2.323 ( 3.309 3.040 -0.975) 4.599 2.450 ( -0.025 -2.936 0.267) 2.948 2.468 ( -1.776 -4.481 -0.112) 4.821 2.507 ( 1.575 -2.995 -0.588) 3.435 2.623 ( 0.818 -0.323 -0.420) 0.975 2.659 ( -2.411 -4.102 -2.268) 5.271 2.712 ( 1.525 -2.177 1.322) 2.969 2.755 ( 0.554 0.023 0.290) 0.626 2.816 ( -0.976 -3.248 0.262) 3.402 2.870 ( -0.809 -2.411 1.612) 3.011 2.897 ( 0.313 -1.199 -1.441) 1.900 2.916 ( -1.177 0.582 1.755) 2.192 2.978 ( 0.539 -0.307 0.052) 0.623 3.103 ( -2.526 2.626 0.003) 3.644 3.193 ( 1.615 -0.252 -0.736) 1.792 3.272 ( 1.440 -4.078 -0.607) 4.368 3.308 ( 0.543 -0.895 -3.465) 3.619 3.339 ( 0.423 2.284 -0.951) 2.510 3.393 ( 0.192 2.778 0.218) 2.793 3.928 ( -0.549 4.090 1.724) 4.473 4.074 ( 0.033 14.441 -0.023) 14.441 4.178 ( -1.212 6.213 2.363) 6.757 4.197 ( -0.761 -4.316 2.011) 4.822 4.296 ( -1.424 8.467 0.824) 8.625 4.375 ( -0.920 -10.956 0.899) 11.032 4.514 ( 0.198 -18.808 0.335) 18.812 4.991 ( -2.335 16.240 6.257) 17.559 5.249 ( 0.683 -8.781 -1.763) 8.982 5.803 ( 1.573 1.259 -0.594) 2.100 5.888 ( 3.012 7.730 -10.430) 13.327 5.902 ( -0.637 -5.807 1.054) 5.936 6.123 ( 6.056 -12.973 -7.464) 16.146 6.914 ( -0.394 1.479 0.140) 1.537 6.985 ( -0.394 -7.640 1.300) 7.760 7.474 ( 3.234 5.794 -4.881) 8.237 7.541 ( 1.881 -2.059 -3.207) 4.250 7.841 ( -1.026 7.655 -1.699) 7.908 7.985 ( 0.737 4.414 0.530) 4.506 8.378 ( -4.370 4.982 5.916) 8.883 8.614 ( -0.502 -3.972 4.544) 6.057 9.354 ( 0.053 -0.142 2.740) 2.744 9.461 ( 0.333 -2.002 -1.002) 2.263 9.596 ( -0.982 1.525 -0.196) 1.825 9.610 ( -5.531 2.921 7.092) 9.456 9.768 ( -0.454 -0.144 0.853) 0.977 9.787 ( -1.850 -2.057 -0.368) 2.792 10.138 ( 0.163 0.476 8.097) 8.112 10.289 ( 0.901 13.890 0.667) 13.935 10.310 ( -2.669 -0.938 -2.958) 4.093 10.442 ( 3.052 -8.404 -3.754) 9.697 10.676 ( -3.549 6.565 -0.741) 7.500 10.944 ( 6.150 -9.105 -7.265) 13.172 12.574 ( 0.899 2.331 -1.828) 3.096 12.719 ( 0.146 -3.535 0.152) 3.541 12.838 ( 0.022 12.017 -1.541) 12.115 13.060 ( -0.744 -3.275 1.309) 3.604 13.123 ( 4.798 -6.193 -1.633) 8.003 13.255 ( -4.485 4.514 -0.715) 6.403 13.402 ( 3.642 3.807 -5.129) 7.353 13.425 ( 0.456 7.402 -1.788) 7.629 14.416 ( -0.337 4.652 3.886) 6.070 14.708 ( 2.899 -13.694 -3.678) 14.473 15.009 ( -1.579 -9.402 5.289) 10.903 15.104 ( -0.221 2.196 0.847) 2.364 15.287 ( -4.969 2.448 -4.646) 7.229 15.638 ( -0.203 -4.843 7.485) 8.917 16.332 ( 0.086 4.094 -0.869) 4.186 16.609 ( 0.170 1.430 0.667) 1.588 ======================= Grid point 124 (63/88) ======================= q-point: (-0.57 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.599 -0.000 -2.969) 3.029 0.395 ( -8.490 0.000 -1.368) 8.599 0.690 ( -5.689 0.000 1.239) 5.823 0.829 ( -0.007 0.000 0.327) 0.327 1.095 ( 1.199 -0.000 -2.172) 2.481 1.224 ( 2.419 -0.000 -0.599) 2.492 1.316 ( 0.850 -0.000 0.034) 0.850 1.352 ( 0.525 -0.000 1.738) 1.816 1.447 ( 0.796 -0.000 -1.634) 1.818 1.559 ( 0.221 -0.000 -1.011) 1.035 1.643 ( 1.999 -0.000 -6.302) 6.611 1.658 ( 2.068 -0.000 -5.931) 6.281 1.660 ( 0.617 -0.000 -2.751) 2.819 1.777 ( 1.248 -0.000 -0.395) 1.309 1.833 ( 2.265 -0.000 0.197) 2.273 1.839 ( -2.300 0.000 0.346) 2.326 1.879 ( -3.585 0.000 0.958) 3.711 1.891 ( 0.301 -0.000 0.051) 0.305 2.106 ( -0.227 0.000 -0.960) 0.986 2.163 ( -0.043 0.000 0.939) 0.940 2.403 ( -2.376 0.000 -2.682) 3.583 2.455 ( 1.141 -0.000 1.542) 1.918 2.501 ( 1.652 -0.000 0.992) 1.927 2.536 ( 3.602 -0.000 0.434) 3.629 2.557 ( 2.012 -0.000 0.883) 2.198 2.593 ( -0.994 0.000 2.166) 2.384 2.599 ( 0.710 -0.000 -0.165) 0.729 2.675 ( 0.901 -0.000 -1.683) 1.909 2.703 ( -1.637 0.000 2.625) 3.094 2.874 ( -0.588 0.000 0.278) 0.650 2.907 ( 2.086 -0.000 0.240) 2.100 2.915 ( -0.033 0.000 -2.257) 2.258 2.941 ( 1.407 -0.000 -2.295) 2.692 3.057 ( -0.108 0.000 0.233) 0.257 3.167 ( 2.977 -0.000 1.931) 3.549 3.212 ( -0.755 0.000 1.973) 2.113 3.293 ( 1.474 -0.000 -1.847) 2.363 3.321 ( 3.056 -0.000 -1.959) 3.630 3.321 ( -1.988 0.000 0.244) 2.003 3.377 ( 0.701 -0.000 -2.500) 2.597 3.400 ( 0.163 -0.000 1.009) 1.022 3.644 ( 6.956 -0.000 2.592) 7.424 3.730 ( -2.538 0.000 0.668) 2.624 3.883 ( -4.025 0.000 1.449) 4.278 4.101 ( -1.424 0.000 2.895) 3.226 4.303 ( -6.337 0.000 11.636) 13.250 4.351 ( -3.195 0.000 0.609) 3.253 4.658 ( -1.604 0.000 1.327) 2.082 4.989 ( 9.482 -0.000 -18.359) 20.663 5.127 ( 0.411 -0.000 0.434) 0.597 5.869 ( 0.066 -0.000 0.652) 0.655 6.117 ( 3.872 -0.000 -3.366) 5.130 6.414 ( -6.512 0.000 9.599) 11.599 6.699 ( 7.373 -0.000 -11.643) 13.781 7.001 ( 0.172 -0.000 -4.754) 4.757 7.127 ( -1.143 0.000 -1.361) 1.777 7.143 ( 1.564 -0.000 -4.247) 4.526 7.272 ( 0.455 -0.000 -1.148) 1.235 7.467 ( -0.062 0.000 5.047) 5.047 7.779 ( 1.253 -0.000 0.256) 1.278 8.422 ( -2.403 0.000 4.942) 5.496 8.567 ( -0.858 0.000 -0.989) 1.310 8.961 ( -1.752 0.000 -0.443) 1.807 9.028 ( -11.291 0.000 -5.820) 12.703 9.515 ( 0.627 -0.000 3.211) 3.272 9.592 ( 0.908 -0.000 1.367) 1.641 9.616 ( -3.145 0.000 6.252) 6.998 9.627 ( -2.802 0.000 4.371) 5.192 9.806 ( 0.767 -0.000 -0.644) 1.001 9.978 ( 1.956 -0.000 -0.513) 2.022 10.151 ( 0.287 -0.000 -1.876) 1.898 10.648 ( -0.415 0.000 5.033) 5.050 11.137 ( -0.301 0.000 -0.350) 0.462 11.519 ( 3.120 -0.000 -4.031) 5.097 12.018 ( 0.371 -0.000 0.558) 0.670 12.541 ( 0.766 -0.000 -1.044) 1.294 12.639 ( 1.043 -0.000 -1.627) 1.932 12.883 ( -1.706 0.000 -0.346) 1.741 12.884 ( -0.976 0.000 -1.122) 1.487 13.424 ( 4.909 -0.000 0.875) 4.986 13.494 ( 0.916 -0.000 -0.681) 1.141 13.688 ( 10.228 -0.000 -1.680) 10.365 14.402 ( -4.548 0.000 -7.658) 8.907 14.530 ( -10.539 0.000 8.906) 13.798 15.237 ( 5.778 -0.000 2.845) 6.440 15.539 ( -5.525 0.000 3.365) 6.469 15.660 ( 0.014 -0.000 0.889) 0.889 15.779 ( 0.086 -0.000 -0.434) 0.443 15.821 ( 3.806 -0.000 0.293) 3.817 16.208 ( -4.719 0.000 -4.255) 6.354 ======================= Grid point 125 (64/88) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 1.505 -6.381 -3.243) 7.314 0.544 ( -4.170 -15.436 1.764) 16.086 0.643 ( -5.552 -0.382 1.482) 5.760 0.791 ( -2.101 -0.750 -1.672) 2.788 1.070 ( 1.429 3.031 -2.713) 4.311 1.258 ( 0.262 5.705 0.094) 5.712 1.295 ( 0.573 -2.329 0.503) 2.450 1.372 ( 0.658 -1.888 1.828) 2.709 1.440 ( 0.159 0.163 -2.324) 2.335 1.576 ( 0.537 -0.566 -1.947) 2.097 1.625 ( 1.934 -1.807 -5.004) 5.661 1.672 ( 1.501 -2.259 -3.633) 4.534 1.685 ( -0.298 -2.273 -2.492) 3.386 1.781 ( 0.936 -1.729 -0.126) 1.970 1.829 ( -3.107 -0.242 -0.033) 3.116 1.883 ( 2.773 1.131 -1.086) 3.186 1.913 ( -0.486 -5.893 -0.036) 5.913 1.921 ( 1.493 -6.185 0.099) 6.364 2.107 ( -0.071 -0.443 -0.506) 0.677 2.184 ( 0.848 -1.175 0.251) 1.470 2.353 ( -2.277 2.802 -0.773) 3.693 2.389 ( 0.750 4.682 0.173) 4.745 2.496 ( 0.655 4.185 2.544) 4.942 2.530 ( 0.971 2.822 1.573) 3.373 2.565 ( 0.936 4.193 1.009) 4.413 2.588 ( 2.180 1.318 -0.698) 2.641 2.607 ( -0.446 0.269 -0.281) 0.592 2.672 ( 1.036 0.836 -1.169) 1.772 2.675 ( 1.875 -0.093 -0.751) 2.022 2.798 ( 0.671 4.988 -1.199) 5.174 2.890 ( -0.817 2.186 -0.212) 2.343 2.910 ( 0.630 1.421 0.019) 1.555 2.980 ( 1.121 -1.023 -0.988) 1.811 3.057 ( -1.121 2.864 1.981) 3.659 3.165 ( 0.042 4.859 0.226) 4.864 3.196 ( 0.519 -0.146 1.466) 1.562 3.275 ( 1.675 0.372 -2.011) 2.644 3.294 ( -0.250 1.279 -0.938) 1.606 3.336 ( -1.022 0.951 0.071) 1.398 3.368 ( 1.773 -0.071 -1.857) 2.568 3.449 ( -0.459 -5.011 0.557) 5.063 3.575 ( 1.234 7.721 1.847) 8.034 3.784 ( -0.600 -6.126 0.310) 6.163 3.904 ( -3.339 -4.808 2.058) 6.205 4.116 ( -0.575 -1.003 2.394) 2.659 4.310 ( -2.229 2.342 0.716) 3.311 4.414 ( -6.220 -11.803 10.803) 17.167 4.624 ( -0.660 3.314 1.609) 3.743 5.054 ( 1.022 6.457 -1.727) 6.762 5.083 ( 9.027 -7.808 -15.646) 19.678 5.830 ( -0.165 4.157 0.661) 4.213 6.064 ( 2.276 6.357 -2.884) 7.343 6.269 ( -4.803 12.171 5.330) 14.128 6.553 ( 4.576 11.467 -11.813) 17.087 6.955 ( 1.469 4.768 -6.042) 7.836 7.182 ( -0.105 -6.875 -2.628) 7.361 7.216 ( -0.018 -7.988 -2.302) 8.313 7.408 ( -1.174 6.868 4.404) 8.242 7.649 ( 5.136 -29.155 6.183) 30.242 7.854 ( 1.593 -6.654 -0.278) 6.847 8.390 ( -2.361 5.473 6.473) 8.800 8.522 ( -0.108 1.086 -3.662) 3.821 8.923 ( -12.096 -5.338 1.307) 13.286 9.125 ( 1.864 -14.357 -4.728) 15.230 9.560 ( -2.364 0.421 3.158) 3.967 9.599 ( -2.906 1.361 4.048) 5.165 9.602 ( 0.496 -4.734 3.218) 5.745 9.748 ( 0.060 -9.601 2.072) 9.822 9.811 ( 1.004 -0.727 -0.316) 1.279 10.026 ( 2.571 -3.629 -0.011) 4.448 10.132 ( 0.994 1.519 -1.778) 2.542 10.637 ( 0.405 3.263 4.284) 5.400 11.007 ( -0.092 11.813 -0.342) 11.819 11.464 ( 0.780 5.994 -4.384) 7.467 12.195 ( -0.011 -16.957 0.297) 16.960 12.616 ( 1.073 -3.418 -0.558) 3.625 12.662 ( 0.991 -6.430 -2.612) 7.011 12.789 ( -0.310 4.795 -1.455) 5.021 12.951 ( 0.150 -3.803 0.302) 3.818 13.452 ( 2.553 1.160 1.675) 3.266 13.493 ( 0.687 0.214 -0.996) 1.229 13.715 ( 8.360 3.805 -3.309) 9.763 14.306 ( -6.581 -0.437 -11.850) 13.562 14.561 ( -4.876 -3.826 13.383) 14.749 15.268 ( 5.744 5.596 5.427) 9.683 15.373 ( -0.004 13.470 2.347) 13.673 15.562 ( -6.481 5.432 -2.969) 8.962 15.668 ( 0.958 6.813 2.835) 7.441 16.056 ( 2.651 -12.770 0.508) 13.053 16.239 ( -3.733 -8.977 -4.271) 10.619 ======================= Grid point 126 (65/88) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 2.126 -8.431 -3.408) 9.339 0.612 ( -4.086 -1.510 3.098) 5.346 0.687 ( -4.120 -6.027 0.750) 7.339 0.951 ( 1.928 -5.944 -2.813) 6.853 1.006 ( 2.161 1.125 -2.188) 3.275 1.167 ( -0.035 -0.511 -0.096) 0.521 1.246 ( -1.365 5.899 0.982) 6.134 1.418 ( 1.220 -0.106 -2.201) 2.519 1.493 ( 0.015 -6.673 1.586) 6.858 1.573 ( 1.083 -0.090 -2.219) 2.471 1.638 ( 0.829 1.026 -2.384) 2.724 1.709 ( -0.641 -1.088 -1.930) 2.307 1.733 ( 0.733 -4.169 -2.200) 4.771 1.816 ( -0.053 -1.352 -0.569) 1.468 1.848 ( 0.367 -3.738 -1.734) 4.137 1.930 ( 3.501 -4.859 0.270) 5.995 2.005 ( 0.134 -4.224 -1.539) 4.497 2.064 ( -2.252 -8.435 0.300) 8.736 2.103 ( -0.837 1.287 0.139) 1.541 2.184 ( 1.592 1.796 -0.633) 2.482 2.269 ( 0.091 5.785 -0.992) 5.870 2.371 ( 1.155 1.370 1.613) 2.412 2.395 ( -2.503 2.045 0.396) 3.257 2.435 ( 0.918 7.052 -0.444) 7.125 2.509 ( 2.877 5.027 -0.244) 5.797 2.534 ( -0.852 2.456 0.725) 2.699 2.590 ( -0.832 4.637 0.089) 4.712 2.650 ( 4.151 0.362 -1.559) 4.449 2.729 ( -0.217 -2.384 -3.201) 3.997 2.738 ( 1.015 0.814 -0.385) 1.357 2.823 ( -0.805 3.038 1.988) 3.719 2.847 ( -0.850 6.090 0.459) 6.166 2.957 ( -1.811 3.889 1.359) 4.500 2.985 ( 1.663 2.982 -0.601) 3.467 3.102 ( 1.331 2.640 -1.257) 3.213 3.154 ( -0.334 4.407 0.676) 4.471 3.216 ( -3.414 4.136 -0.643) 5.401 3.264 ( 0.950 0.374 -1.566) 1.869 3.327 ( 2.351 1.550 -0.260) 2.828 3.370 ( 0.593 0.402 -0.300) 0.777 3.457 ( 0.480 0.092 1.443) 1.524 3.723 ( -0.219 -17.751 -0.260) 17.754 3.880 ( -3.145 -5.416 0.873) 6.324 4.022 ( -0.574 -8.793 2.400) 9.132 4.142 ( -0.052 -1.466 1.811) 2.330 4.246 ( -1.211 3.574 0.826) 3.863 4.535 ( 0.492 6.131 1.345) 6.296 4.686 ( -6.228 -17.045 9.482) 20.475 4.849 ( -0.429 14.935 0.451) 14.948 5.265 ( 8.269 -7.420 -13.781) 17.702 5.758 ( 1.097 2.536 -0.854) 2.892 5.941 ( 0.333 6.385 -1.968) 6.690 6.045 ( -1.912 10.355 2.263) 10.770 6.325 ( 3.975 12.361 -11.364) 17.255 6.877 ( 1.063 2.122 -2.719) 3.609 7.183 ( -1.058 10.642 2.189) 10.916 7.308 ( -0.155 -8.210 -3.063) 8.764 7.423 ( 1.422 -7.927 -2.820) 8.533 7.939 ( -0.730 -4.327 0.174) 4.392 8.134 ( 5.405 -5.306 3.793) 8.471 8.304 ( -3.992 -3.477 6.195) 8.148 8.498 ( -1.818 0.209 -0.350) 1.863 9.057 ( -3.296 -13.796 3.083) 14.516 9.372 ( 1.588 -8.514 -2.701) 9.072 9.566 ( -1.609 0.959 5.160) 5.489 9.590 ( -2.010 -5.310 2.495) 6.202 9.702 ( -1.464 -4.237 2.548) 5.157 9.794 ( 2.043 -0.338 -1.300) 2.445 9.957 ( -2.547 -9.463 2.031) 10.008 10.091 ( -0.734 -0.724 -0.971) 1.416 10.196 ( 8.942 -8.814 -1.742) 12.676 10.597 ( 1.775 2.762 2.964) 4.423 10.779 ( -0.478 12.929 -0.547) 12.950 11.281 ( -1.878 11.900 -5.146) 13.100 12.537 ( 0.149 -20.098 -0.387) 20.102 12.635 ( 0.548 -0.668 -0.639) 1.074 12.697 ( 1.018 4.335 -1.484) 4.694 12.849 ( 1.406 -9.988 -3.356) 10.630 13.025 ( 2.201 -3.203 1.446) 4.147 13.418 ( 0.193 4.672 0.451) 4.698 13.490 ( -0.217 -0.089 -1.720) 1.736 13.658 ( 4.467 6.630 -3.420) 8.696 14.273 ( -3.210 -6.331 -8.773) 11.286 14.683 ( -0.226 -5.468 13.234) 14.321 15.020 ( 0.082 19.781 -0.408) 19.786 15.265 ( 3.094 6.371 4.141) 8.204 15.413 ( -6.748 3.603 -3.771) 8.529 15.596 ( -0.382 2.992 4.972) 5.816 16.245 ( 0.061 -7.831 -0.865) 7.879 16.411 ( -0.014 -11.577 -1.190) 11.638 ======================= Grid point 127 (66/88) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -1.516 -5.059 0.703) 5.328 0.713 ( 1.937 -5.518 -1.727) 6.097 0.792 ( -3.426 -8.043 0.760) 8.776 0.849 ( 2.670 8.688 -3.033) 9.582 0.990 ( 2.730 2.732 0.655) 3.917 1.121 ( -2.438 6.063 1.185) 6.641 1.342 ( 3.199 -9.022 -4.576) 10.610 1.423 ( 1.459 -0.283 -2.948) 3.301 1.569 ( 2.126 0.951 -1.407) 2.721 1.607 ( 0.657 -0.404 -2.118) 2.254 1.639 ( 0.860 -6.591 1.924) 6.920 1.675 ( -1.065 2.600 -0.113) 2.812 1.800 ( 0.710 -3.624 -2.343) 4.374 1.832 ( 0.127 -0.623 -0.934) 1.129 1.937 ( -0.157 -5.155 0.026) 5.157 2.008 ( 0.779 1.162 -1.439) 2.007 2.025 ( -0.322 4.096 0.278) 4.118 2.069 ( 0.747 -1.705 0.876) 2.057 2.120 ( 0.996 3.735 -0.419) 3.888 2.164 ( -3.667 -0.365 -0.982) 3.813 2.183 ( 0.066 -0.015 -1.628) 1.629 2.283 ( -0.113 3.963 0.785) 4.042 2.362 ( 2.615 0.781 -0.948) 2.890 2.411 ( -0.382 2.103 0.108) 2.140 2.485 ( 0.285 4.970 -0.034) 4.978 2.503 ( 1.265 0.919 -1.229) 1.989 2.520 ( -0.154 -5.537 -0.276) 5.546 2.659 ( 0.766 1.618 -2.335) 2.942 2.703 ( -0.278 -0.450 1.286) 1.390 2.754 ( -1.233 1.946 1.279) 2.635 2.772 ( 0.728 -0.779 -0.790) 1.327 2.843 ( 1.152 -3.010 1.470) 3.542 2.870 ( -0.021 3.048 0.453) 3.082 2.974 ( -0.176 0.954 -1.341) 1.655 3.014 ( -0.055 5.100 1.910) 5.446 3.121 ( -3.061 2.506 -0.924) 4.062 3.164 ( 0.827 -2.428 0.083) 2.566 3.256 ( 0.700 0.522 -1.334) 1.594 3.312 ( 3.556 1.440 -1.674) 4.186 3.367 ( 0.073 0.638 -1.160) 1.326 3.450 ( 0.304 2.280 0.183) 2.307 3.935 ( -2.960 -2.814 1.751) 4.444 4.052 ( 0.409 -16.089 -0.221) 16.096 4.170 ( -1.466 -1.389 2.391) 3.130 4.181 ( -1.578 -2.303 2.454) 3.717 4.231 ( 1.372 -10.247 0.100) 10.339 4.398 ( 0.042 10.335 1.107) 10.395 4.541 ( -0.576 17.772 0.605) 17.792 4.995 ( -4.054 -17.201 5.793) 18.598 5.243 ( 1.105 9.733 -1.412) 9.897 5.791 ( 1.982 -2.943 -3.082) 4.700 5.880 ( 1.103 2.265 -1.444) 2.903 5.945 ( 2.617 -3.522 -3.373) 5.535 6.086 ( 4.025 12.452 -11.397) 17.353 6.887 ( 0.594 -3.260 -0.134) 3.316 7.001 ( -1.044 8.388 1.590) 8.601 7.434 ( 0.565 -6.974 -3.426) 7.791 7.532 ( 3.629 -2.336 -3.909) 5.823 7.941 ( -0.929 3.221 0.159) 3.356 8.066 ( -1.532 5.214 0.014) 5.434 8.433 ( -1.576 0.237 6.200) 6.402 8.518 ( -2.876 -6.365 3.247) 7.703 9.282 ( -0.816 -9.825 2.156) 10.091 9.419 ( -0.003 -0.573 -1.140) 1.276 9.584 ( -1.371 -1.671 3.772) 4.348 9.633 ( -1.658 1.103 3.963) 4.435 9.745 ( -1.206 -1.776 0.736) 2.269 9.825 ( 1.337 2.206 1.478) 2.973 10.072 ( -4.228 -6.850 4.392) 9.170 10.185 ( 1.910 -9.754 -1.097) 10.000 10.363 ( 3.979 -1.640 -3.932) 5.830 10.537 ( -1.810 12.841 -1.176) 13.021 10.685 ( 8.311 -8.105 1.545) 11.711 10.986 ( -3.571 14.691 -6.562) 16.481 12.629 ( 1.561 3.404 -1.299) 3.964 12.658 ( -0.278 -2.290 -0.670) 2.402 12.866 ( 0.176 -15.797 -0.757) 15.816 12.950 ( 1.012 -0.509 -1.901) 2.213 13.105 ( 4.701 -2.184 0.935) 5.267 13.305 ( -2.242 6.288 -0.997) 6.749 13.462 ( -1.040 2.174 -3.412) 4.177 13.547 ( 2.467 6.299 -2.539) 7.225 14.403 ( -0.975 -11.376 -3.383) 11.908 14.667 ( 0.914 14.070 -1.181) 14.149 14.885 ( 1.981 -7.163 8.399) 11.215 15.175 ( -1.236 5.555 1.182) 5.812 15.301 ( -3.248 3.682 -0.024) 4.910 15.596 ( -2.243 -1.606 4.331) 5.135 16.343 ( 0.760 -2.938 -0.216) 3.042 16.570 ( 0.002 -5.797 -0.573) 5.825 ======================= Grid point 132 (67/88) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -5.457 0.000 2.451) 5.982 0.383 ( 2.980 -0.000 -2.306) 3.768 0.584 ( -7.816 0.000 1.104) 7.894 0.798 ( -7.047 0.000 4.614) 8.423 1.099 ( 1.741 -0.000 -2.346) 2.921 1.241 ( 0.692 -0.000 -1.156) 1.348 1.330 ( 1.036 -0.000 -0.440) 1.126 1.369 ( -0.314 0.000 1.345) 1.381 1.441 ( 0.443 -0.000 -2.007) 2.055 1.553 ( 0.112 -0.000 -0.979) 0.985 1.607 ( 2.819 -0.000 -8.109) 8.585 1.644 ( -0.000 0.000 -2.180) 2.180 1.654 ( 1.288 -0.000 -3.231) 3.478 1.780 ( 0.082 -0.000 -0.752) 0.756 1.806 ( -3.217 0.000 0.817) 3.320 1.834 ( 0.936 -0.000 0.896) 1.296 1.886 ( 2.408 -0.000 -0.150) 2.413 1.935 ( 4.402 -0.000 -0.716) 4.460 2.096 ( 0.245 -0.000 -1.024) 1.053 2.178 ( 0.901 -0.000 0.581) 1.072 2.348 ( -2.631 0.000 -0.741) 2.734 2.469 ( -1.462 0.000 1.436) 2.049 2.525 ( 1.002 -0.000 0.065) 1.004 2.548 ( -1.991 0.000 -0.050) 1.992 2.590 ( 1.217 -0.000 0.095) 1.220 2.612 ( 1.395 -0.000 1.501) 2.049 2.636 ( 3.495 -0.000 0.123) 3.497 2.692 ( 3.358 -0.000 -3.156) 4.609 2.722 ( 0.537 -0.000 2.667) 2.721 2.869 ( 0.155 -0.000 0.010) 0.155 2.915 ( 2.440 -0.000 -2.250) 3.319 2.922 ( 0.278 -0.000 -0.558) 0.623 2.947 ( 1.625 -0.000 -2.312) 2.825 3.052 ( -0.875 0.000 0.536) 1.026 3.185 ( -1.753 0.000 1.900) 2.586 3.239 ( -2.053 0.000 3.232) 3.829 3.278 ( -0.553 0.000 -0.385) 0.674 3.297 ( 1.148 -0.000 -2.521) 2.770 3.317 ( -1.506 0.000 -1.490) 2.118 3.363 ( 0.389 -0.000 -2.892) 2.918 3.406 ( 0.029 -0.000 0.687) 0.687 3.699 ( -1.962 0.000 -0.226) 1.975 3.752 ( 3.763 -0.000 0.404) 3.785 3.842 ( -3.529 0.000 3.413) 4.909 4.112 ( -0.229 0.000 2.638) 2.648 4.303 ( -5.623 0.000 10.488) 11.900 4.326 ( -0.458 0.000 1.782) 1.840 4.660 ( 0.411 -0.000 1.247) 1.313 4.990 ( 10.093 -0.000 -17.867) 20.521 5.131 ( -0.287 0.000 0.264) 0.390 5.872 ( -0.413 0.000 0.602) 0.730 6.126 ( 1.622 -0.000 -5.836) 6.057 6.385 ( -6.334 0.000 8.305) 10.445 6.725 ( 6.275 -0.000 -5.428) 8.297 6.978 ( 1.895 -0.000 -4.358) 4.753 7.107 ( -0.389 0.000 -0.339) 0.516 7.126 ( 1.105 -0.000 -4.747) 4.873 7.275 ( 0.979 -0.000 -0.821) 1.278 7.507 ( -1.210 0.000 5.988) 6.109 7.794 ( 0.746 -0.000 -0.528) 0.914 8.436 ( -0.913 0.000 4.343) 4.438 8.539 ( -2.064 0.000 -0.045) 2.065 8.766 ( -14.363 0.000 0.974) 14.396 8.997 ( 4.951 -0.000 -3.570) 6.103 9.545 ( 0.150 -0.000 2.646) 2.650 9.593 ( -0.756 0.000 0.138) 0.769 9.627 ( -2.111 0.000 5.452) 5.846 9.650 ( 0.623 -0.000 3.769) 3.820 9.812 ( 0.789 -0.000 -0.791) 1.117 10.018 ( 2.346 -0.000 1.348) 2.706 10.140 ( 1.064 -0.000 -4.155) 4.289 10.689 ( 0.840 -0.000 3.550) 3.648 11.127 ( -0.659 0.000 -0.057) 0.661 11.499 ( -1.165 0.000 -3.861) 4.033 12.022 ( -0.373 0.000 0.471) 0.601 12.547 ( 1.218 -0.000 -1.237) 1.736 12.637 ( 0.543 -0.000 -1.769) 1.850 12.867 ( -0.331 0.000 0.355) 0.485 12.887 ( 2.773 -0.000 -1.349) 3.084 13.482 ( 0.876 -0.000 1.308) 1.575 13.495 ( -0.042 0.000 -0.739) 0.740 13.769 ( 3.433 -0.000 -9.545) 10.143 14.195 ( -7.158 0.000 -7.128) 10.102 14.576 ( 0.917 -0.000 13.494) 13.525 15.410 ( 7.708 -0.000 8.664) 11.597 15.453 ( -5.081 0.000 -0.011) 5.081 15.669 ( 0.213 -0.000 0.683) 0.716 15.770 ( -0.708 0.000 -0.250) 0.751 15.907 ( 4.363 -0.000 4.111) 5.995 16.079 ( -5.181 0.000 -7.920) 9.464 ======================= Grid point 133 (68/88) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 1.611 -5.310 -3.701) 6.670 0.512 ( -4.547 -13.752 4.234) 15.090 0.572 ( -4.463 -4.799 5.073) 8.288 0.729 ( -5.136 -2.881 1.994) 6.217 1.079 ( 2.585 2.742 -2.623) 4.591 1.262 ( -0.089 6.229 0.198) 6.233 1.299 ( -0.240 -1.869 -0.089) 1.887 1.380 ( -1.211 -1.928 0.423) 2.316 1.427 ( 0.528 -0.360 -1.526) 1.654 1.572 ( 1.289 -0.966 -2.141) 2.679 1.618 ( 2.835 -2.045 -5.207) 6.271 1.657 ( -0.268 -2.769 -1.610) 3.214 1.663 ( 0.084 -1.580 -2.215) 2.722 1.774 ( -0.381 -2.084 -1.131) 2.401 1.813 ( -0.969 -0.506 0.014) 1.093 1.882 ( 0.543 -4.064 0.059) 4.100 1.936 ( 2.483 -1.717 -0.850) 3.136 1.966 ( 3.807 -1.972 -0.180) 4.292 2.110 ( 0.945 -0.719 -0.314) 1.228 2.202 ( 1.234 -1.221 -0.441) 1.791 2.312 ( -2.660 1.650 0.318) 3.146 2.399 ( 0.279 3.812 0.035) 3.823 2.501 ( -2.388 3.581 1.788) 4.661 2.544 ( 0.980 5.748 -0.235) 5.836 2.557 ( -2.450 0.067 -1.021) 2.655 2.597 ( 0.128 5.315 0.585) 5.349 2.633 ( 2.171 -0.257 0.582) 2.262 2.687 ( 3.668 0.903 -4.827) 6.129 2.710 ( 2.383 1.480 -0.555) 2.859 2.803 ( 1.217 5.234 -1.230) 5.512 2.876 ( -0.106 2.090 -0.019) 2.092 2.927 ( 0.910 2.542 -0.201) 2.708 3.003 ( 2.564 -1.037 -0.362) 2.789 3.055 ( -1.323 3.171 2.053) 4.002 3.142 ( -2.251 2.354 -0.901) 3.379 3.205 ( -1.349 0.238 2.081) 2.492 3.246 ( -1.816 3.191 -2.984) 4.731 3.261 ( -3.428 1.267 -1.158) 3.834 3.335 ( 0.928 -1.112 1.243) 1.909 3.378 ( 1.444 -2.173 -2.354) 3.514 3.444 ( -0.576 -5.226 0.329) 5.268 3.592 ( -0.957 7.612 -0.341) 7.680 3.769 ( -1.744 -3.468 1.032) 4.017 3.900 ( -0.390 -6.249 3.652) 7.249 4.132 ( 0.349 -0.904 1.772) 2.020 4.305 ( 0.236 3.234 2.700) 4.220 4.409 ( -5.636 -11.337 9.931) 16.091 4.640 ( 0.980 3.434 1.252) 3.784 5.051 ( 0.353 6.837 -1.431) 6.994 5.095 ( 9.101 -8.521 -15.426) 19.834 5.830 ( -0.526 3.878 0.499) 3.945 6.046 ( -0.560 5.985 -4.816) 7.703 6.246 ( -3.913 11.764 5.897) 13.729 6.534 ( 4.032 13.403 -7.884) 16.064 6.945 ( 3.254 4.648 -4.678) 7.354 7.158 ( -0.256 -6.374 -1.486) 6.551 7.217 ( 1.777 -8.317 -1.135) 8.580 7.410 ( -2.558 6.874 3.296) 8.041 7.762 ( 3.340 -26.514 1.284) 26.754 7.872 ( 1.761 -11.604 -2.267) 11.954 8.378 ( -5.381 7.066 4.349) 9.889 8.501 ( 0.108 1.125 -1.316) 1.735 8.816 ( -3.016 -12.508 8.143) 15.227 9.142 ( 4.048 -13.130 -3.144) 14.095 9.558 ( -0.606 0.376 2.420) 2.523 9.605 ( -1.932 1.597 5.280) 5.845 9.624 ( -0.449 -4.175 1.538) 4.472 9.763 ( 0.417 -6.924 0.917) 6.997 9.823 ( 0.745 -1.702 -0.491) 1.922 10.065 ( 1.681 -2.213 0.887) 2.917 10.138 ( 2.594 -2.309 -5.325) 6.358 10.681 ( 1.599 2.984 2.356) 4.125 10.995 ( -1.113 11.893 -0.124) 11.946 11.410 ( -2.849 6.628 -3.447) 7.995 12.195 ( -0.327 -17.050 0.265) 17.055 12.622 ( 0.395 -1.871 -1.026) 2.171 12.663 ( 2.118 -8.158 -2.747) 8.865 12.796 ( 2.097 4.994 -0.375) 5.430 12.978 ( 3.051 -4.569 0.018) 5.495 13.468 ( -1.267 1.433 -0.411) 1.956 13.486 ( -0.673 0.722 -0.812) 1.278 13.707 ( -3.838 0.793 -12.743) 13.332 14.153 ( -1.666 -0.989 -0.250) 1.953 14.679 ( 5.327 -2.927 11.742) 13.222 15.352 ( -4.727 5.360 0.186) 7.149 15.430 ( -1.886 18.544 -1.828) 18.729 15.470 ( 7.236 6.346 7.404) 12.143 15.682 ( -1.675 5.988 1.233) 6.339 16.083 ( -0.825 -9.208 -1.144) 9.315 16.174 ( 0.616 -14.078 -0.720) 14.110 ======================= Grid point 134 (69/88) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -1.757 -6.847 -0.475) 7.084 0.580 ( -4.230 -5.036 2.292) 6.965 0.631 ( -2.508 -6.864 2.421) 7.698 0.982 ( 3.818 -6.456 -0.836) 7.547 1.034 ( 3.687 0.406 -2.457) 4.449 1.174 ( 0.115 -1.240 1.022) 1.611 1.218 ( -2.517 6.370 0.097) 6.850 1.425 ( 1.482 0.026 -1.559) 2.151 1.495 ( -0.762 -7.530 0.412) 7.580 1.587 ( 3.043 -0.149 -2.257) 3.791 1.628 ( 0.356 0.798 -2.007) 2.189 1.685 ( -0.497 -2.568 -1.992) 3.288 1.731 ( 0.960 -3.285 -0.656) 3.485 1.802 ( -0.651 -2.490 -0.857) 2.713 1.852 ( 1.876 -3.830 -2.634) 5.013 1.980 ( -2.145 -5.405 -0.460) 5.833 1.986 ( 1.711 -4.581 -0.576) 4.924 2.032 ( -0.124 -2.826 0.236) 2.839 2.098 ( -0.494 2.738 0.519) 2.830 2.203 ( 1.921 1.820 -0.912) 2.799 2.255 ( -1.098 4.358 -0.497) 4.521 2.354 ( -2.682 3.278 -0.199) 4.240 2.395 ( 0.220 3.339 0.322) 3.362 2.453 ( 1.155 4.517 0.191) 4.666 2.514 ( -0.713 1.360 -1.907) 2.449 2.530 ( 0.908 2.449 -0.406) 2.643 2.593 ( 0.626 5.736 0.332) 5.780 2.685 ( 2.647 0.634 -4.136) 4.951 2.708 ( 0.294 0.842 -0.009) 0.892 2.755 ( 0.712 0.660 0.503) 1.094 2.839 ( 0.696 1.236 2.128) 2.558 2.854 ( 0.742 6.091 0.584) 6.164 2.951 ( -0.290 3.496 1.055) 3.664 2.992 ( 0.425 3.406 -1.941) 3.943 3.098 ( -0.905 3.745 -0.597) 3.899 3.145 ( -3.754 3.488 -1.311) 5.289 3.165 ( 0.969 1.563 1.191) 2.191 3.267 ( 0.823 -0.855 -1.680) 2.057 3.335 ( -0.899 -0.315 -0.055) 0.954 3.388 ( 2.030 2.485 -1.289) 3.458 3.469 ( -0.210 0.180 -0.151) 0.315 3.722 ( 0.051 -17.766 0.242) 17.768 3.832 ( -3.492 -5.382 2.015) 6.724 4.048 ( -0.093 -7.917 3.589) 8.693 4.165 ( 1.497 -1.628 0.885) 2.382 4.248 ( -0.100 4.219 2.182) 4.751 4.554 ( 0.670 6.543 0.691) 6.614 4.673 ( -5.430 -16.783 9.188) 19.889 4.841 ( -0.870 15.032 0.205) 15.059 5.275 ( 7.231 -6.828 -12.819) 16.224 5.768 ( 1.273 1.628 -1.478) 2.541 5.914 ( -0.839 4.562 -2.964) 5.504 6.039 ( -1.728 10.261 2.950) 10.816 6.305 ( 4.218 12.867 -7.993) 15.723 6.889 ( 2.514 2.344 -1.270) 3.665 7.182 ( -1.611 11.201 2.212) 11.531 7.287 ( 0.762 -8.281 -2.317) 8.633 7.433 ( 2.308 -8.876 -2.117) 9.412 7.921 ( -1.528 -3.985 -0.117) 4.270 8.118 ( -5.405 0.793 -6.222) 8.280 8.316 ( -1.581 -9.254 5.154) 10.710 8.493 ( 0.477 0.891 2.336) 2.545 9.090 ( 1.838 -11.840 7.279) 14.020 9.388 ( 2.814 -6.357 -1.526) 7.118 9.579 ( -2.086 0.186 4.835) 5.269 9.624 ( 2.937 -4.534 3.167) 6.262 9.692 ( -2.046 -3.333 1.466) 4.176 9.822 ( 2.160 -2.398 -0.254) 3.237 9.932 ( -2.350 -7.909 1.884) 8.463 10.084 ( 0.057 -1.180 0.473) 1.273 10.282 ( 6.504 -9.836 -8.668) 14.635 10.661 ( 4.010 1.020 0.660) 4.190 10.752 ( -2.098 12.784 -0.905) 12.986 11.195 ( -4.001 12.941 -2.678) 13.808 12.533 ( -0.088 -19.391 -0.633) 19.402 12.622 ( -0.598 -0.683 -1.358) 1.634 12.728 ( 2.945 4.292 0.272) 5.213 12.861 ( 3.319 -9.153 -2.190) 9.979 13.088 ( 4.656 -4.230 0.112) 6.292 13.398 ( -2.153 5.105 -1.567) 5.758 13.450 ( -2.928 0.583 -2.704) 4.028 13.606 ( -3.321 1.172 -10.197) 10.788 14.209 ( 0.196 -5.844 1.767) 6.109 14.850 ( 8.264 -4.785 8.536) 12.808 15.010 ( -1.418 22.309 -0.745) 22.366 15.240 ( -4.989 4.184 -3.869) 7.574 15.414 ( 3.182 8.080 9.952) 13.208 15.587 ( -4.077 2.316 1.093) 4.814 16.240 ( 0.086 -8.873 -0.730) 8.904 16.418 ( 1.313 -11.098 0.589) 11.191 ======================= Grid point 140 (70/88) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 1.031 -0.000 9.596) 9.652 0.374 ( -2.401 0.000 -3.351) 4.123 0.528 ( -3.035 0.000 7.714) 8.290 0.702 ( -11.030 0.000 8.314) 13.812 1.109 ( 1.943 -0.000 -2.409) 3.095 1.232 ( -0.104 0.000 -1.767) 1.770 1.336 ( 0.585 -0.000 -1.018) 1.174 1.360 ( -1.649 0.000 0.198) 1.660 1.425 ( -0.661 0.000 -2.057) 2.161 1.548 ( 0.199 -0.000 -0.555) 0.589 1.607 ( 4.747 -0.000 -6.081) 7.715 1.627 ( 0.033 -0.000 -1.532) 1.532 1.644 ( 1.154 -0.000 -3.308) 3.503 1.769 ( -0.596 0.000 -0.906) 1.084 1.772 ( -1.614 0.000 -0.616) 1.727 1.876 ( 3.156 -0.000 0.873) 3.275 1.939 ( 4.260 -0.000 0.451) 4.284 1.993 ( 3.850 -0.000 -1.387) 4.092 2.100 ( 0.997 -0.000 -0.221) 1.021 2.193 ( 0.447 -0.000 -0.048) 0.449 2.314 ( -1.276 0.000 0.363) 1.326 2.434 ( -3.377 0.000 0.170) 3.381 2.499 ( -3.708 0.000 0.071) 3.708 2.531 ( -0.391 0.000 0.256) 0.467 2.612 ( 1.684 -0.000 -0.456) 1.745 2.650 ( 2.042 -0.000 0.620) 2.134 2.672 ( 1.524 -0.000 -1.790) 2.351 2.711 ( 3.840 -0.000 -5.998) 7.122 2.729 ( -1.712 0.000 0.603) 1.815 2.880 ( 0.912 -0.000 0.112) 0.919 2.923 ( 0.701 -0.000 -0.328) 0.774 2.943 ( 0.328 -0.000 -3.015) 3.032 2.959 ( 5.112 -0.000 -1.493) 5.325 3.041 ( -0.862 0.000 0.258) 0.900 3.140 ( -4.969 0.000 -0.061) 4.969 3.206 ( -2.245 0.000 2.530) 3.382 3.263 ( -3.848 0.000 -1.347) 4.077 3.283 ( -0.397 0.000 -2.874) 2.902 3.303 ( 0.301 -0.000 1.691) 1.717 3.340 ( -0.478 0.000 -1.646) 1.714 3.411 ( -0.470 0.000 -0.062) 0.474 3.608 ( -7.714 0.000 -3.760) 8.582 3.788 ( 2.075 -0.000 -0.535) 2.143 3.839 ( -2.024 0.000 6.343) 6.658 4.132 ( 0.349 -0.000 1.652) 1.688 4.302 ( -5.469 0.000 9.668) 11.108 4.382 ( 4.307 -0.000 2.895) 5.189 4.687 ( 1.580 -0.000 0.980) 1.859 5.002 ( 10.270 -0.000 -17.171) 20.008 5.123 ( -0.772 0.000 0.072) 0.776 5.864 ( -0.978 0.000 0.120) 0.985 6.071 ( -1.353 0.000 -6.158) 6.305 6.363 ( -5.134 0.000 7.210) 8.851 6.795 ( 5.683 -0.000 -4.957) 7.541 6.990 ( 3.557 -0.000 -3.081) 4.706 7.108 ( 1.518 -0.000 -2.467) 2.897 7.110 ( 0.489 -0.000 0.829) 0.963 7.287 ( 1.430 -0.000 -0.997) 1.743 7.506 ( -4.037 0.000 1.720) 4.388 7.793 ( 0.108 -0.000 -1.205) 1.210 8.464 ( 0.625 -0.000 2.672) 2.744 8.505 ( -3.348 0.000 2.303) 4.064 8.669 ( -1.619 0.000 12.060) 12.168 9.070 ( 5.755 -0.000 1.130) 5.865 9.563 ( 0.009 -0.000 0.778) 0.778 9.585 ( -0.432 0.000 0.157) 0.459 9.633 ( -2.496 0.000 4.849) 5.454 9.693 ( 1.214 -0.000 2.842) 3.090 9.816 ( 0.663 -0.000 -1.084) 1.270 10.057 ( 0.551 -0.000 -1.695) 1.782 10.096 ( -1.055 0.000 -3.969) 4.107 10.728 ( 1.271 -0.000 1.430) 1.913 11.119 ( -0.735 0.000 0.655) 0.985 11.435 ( -2.791 0.000 -2.590) 3.808 12.015 ( -0.868 0.000 0.131) 0.877 12.557 ( 1.363 -0.000 -1.313) 1.893 12.627 ( 0.173 -0.000 -1.904) 1.911 12.880 ( 0.967 -0.000 1.410) 1.709 12.941 ( 5.120 -0.000 -1.368) 5.300 13.451 ( -5.437 0.000 -5.727) 7.897 13.482 ( -0.659 0.000 -0.833) 1.062 13.580 ( -10.834 0.000 -9.388) 14.336 14.180 ( 3.202 -0.000 6.543) 7.285 14.755 ( 9.731 -0.000 8.421) 12.869 15.307 ( -7.585 0.000 -4.495) 8.817 15.651 ( 9.709 -0.000 5.176) 11.002 15.675 ( 0.147 -0.000 0.092) 0.174 15.756 ( -1.034 0.000 0.300) 1.076 15.916 ( -5.876 0.000 -7.987) 9.916 16.045 ( 6.702 -0.000 9.058) 11.268 ======================= Grid point 141 (71/88) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -4.448 -6.643 0.487) 8.010 0.497 ( -2.636 -7.669 5.999) 10.087 0.564 ( -4.732 1.601 6.715) 8.370 0.721 ( 0.431 -14.596 6.082) 15.818 1.102 ( 2.762 1.599 -2.312) 3.942 1.255 ( -1.170 4.974 0.293) 5.118 1.287 ( -0.392 0.841 -1.313) 1.608 1.341 ( -2.837 -2.734 -1.236) 4.129 1.434 ( 1.016 -2.595 -0.104) 2.789 1.575 ( 0.739 -2.105 -1.037) 2.460 1.626 ( 2.085 -1.182 -3.203) 4.000 1.648 ( 2.156 0.219 -3.368) 4.005 1.652 ( 0.616 -3.909 -1.692) 4.303 1.759 ( -0.954 -1.053 -1.388) 1.986 1.777 ( -1.208 -2.497 -1.603) 3.203 1.916 ( 2.148 -1.110 0.693) 2.516 1.966 ( 2.261 0.243 -1.233) 2.587 2.018 ( 3.160 -0.791 -0.650) 3.322 2.127 ( 0.962 -0.161 0.126) 0.984 2.205 ( -0.335 -1.511 -0.925) 1.803 2.284 ( -1.060 2.586 0.773) 2.900 2.403 ( 0.586 1.334 0.011) 1.457 2.469 ( -2.703 0.734 0.860) 2.930 2.507 ( -2.168 1.756 -1.685) 3.259 2.551 ( -0.252 8.632 0.086) 8.637 2.607 ( 0.846 3.788 0.323) 3.895 2.653 ( 0.513 0.880 -0.458) 1.117 2.688 ( 2.111 0.716 -5.163) 5.624 2.728 ( 0.933 0.240 -1.971) 2.194 2.811 ( 0.716 4.570 -1.101) 4.755 2.891 ( 1.071 2.091 1.120) 2.603 2.928 ( -0.102 1.894 -0.975) 2.133 3.024 ( -0.550 4.227 -0.408) 4.282 3.055 ( -0.189 2.035 0.830) 2.206 3.101 ( -1.486 -2.098 -0.638) 2.649 3.176 ( -2.536 1.304 -1.282) 3.126 3.191 ( -2.649 -0.024 -0.720) 2.745 3.223 ( -0.070 2.229 0.521) 2.290 3.342 ( -1.612 0.195 -3.215) 3.602 3.371 ( 0.178 -5.347 -0.179) 5.353 3.429 ( -1.355 -3.634 -0.404) 3.899 3.550 ( -2.520 -1.133 0.294) 2.779 3.766 ( -0.496 0.178 2.842) 2.890 3.936 ( 0.292 -6.500 4.266) 7.780 4.154 ( 0.918 -1.286 0.779) 1.762 4.357 ( 2.128 5.518 3.704) 6.978 4.405 ( -5.253 -10.885 9.355) 15.283 4.667 ( 1.150 3.877 0.857) 4.134 5.042 ( -0.413 7.880 -0.391) 7.901 5.107 ( 9.194 -9.297 -15.854) 20.550 5.823 ( -0.636 3.254 0.222) 3.323 5.984 ( -1.562 5.200 -4.196) 6.862 6.236 ( -3.830 10.893 5.324) 12.715 6.544 ( 3.535 14.290 -4.625) 15.430 6.977 ( 4.479 4.298 -2.654) 6.751 7.156 ( 1.236 -5.848 -0.738) 6.023 7.246 ( 2.617 -8.389 -0.484) 8.801 7.381 ( -3.984 7.330 1.574) 8.489 7.735 ( -2.870 -26.459 -9.825) 28.370 7.842 ( -1.242 -7.106 -3.480) 8.010 8.346 ( -3.624 8.534 6.729) 11.456 8.500 ( 1.241 -1.703 -0.609) 2.193 9.004 ( 12.329 -12.595 15.076) 23.193 9.188 ( 4.441 -12.449 -2.273) 13.411 9.578 ( 0.150 -1.923 1.912) 2.716 9.604 ( -2.097 0.108 1.748) 2.732 9.625 ( -2.282 -1.859 4.264) 5.181 9.788 ( 1.816 -5.671 1.253) 6.085 9.825 ( 0.394 -1.747 -0.837) 1.977 10.077 ( -3.119 -4.969 -7.533) 9.548 10.102 ( 1.811 -2.919 -0.101) 3.436 10.720 ( 1.656 2.034 0.353) 2.647 10.972 ( -1.829 13.286 0.123) 13.412 11.340 ( -2.423 7.263 -2.324) 8.001 12.190 ( -0.379 -17.451 -0.041) 17.455 12.611 ( -0.224 -0.019 -1.366) 1.385 12.687 ( 4.073 -11.259 -2.879) 12.315 12.837 ( 2.426 4.701 1.029) 5.389 13.036 ( 4.183 -4.999 -0.790) 6.566 13.351 ( -11.757 -1.875 -9.762) 15.396 13.456 ( -2.047 2.060 -0.987) 3.067 13.503 ( -5.343 -0.657 -3.363) 6.347 14.229 ( 3.792 1.187 8.596) 9.470 14.892 ( 11.758 -2.384 4.493) 12.811 15.213 ( -6.483 2.383 -5.737) 8.979 15.398 ( -0.972 19.721 -1.240) 19.784 15.633 ( -4.017 6.808 -0.595) 7.927 15.686 ( 7.699 10.329 8.393) 15.376 16.025 ( -2.283 -13.193 -3.105) 13.744 16.250 ( 4.516 -10.067 5.860) 12.493 ======================= Grid point 148 (72/88) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( -6.139 0.000 0.487) 6.159 0.430 ( 2.994 -0.000 11.738) 12.114 0.577 ( -0.338 0.000 8.195) 8.202 0.631 ( -8.175 0.000 11.906) 14.442 1.117 ( 1.511 -0.000 -2.318) 2.767 1.211 ( -0.041 0.000 -2.903) 2.903 1.328 ( -1.998 0.000 -0.468) 2.052 1.336 ( 0.691 -0.000 -1.476) 1.630 1.378 ( -3.503 0.000 -0.107) 3.504 1.550 ( 0.389 -0.000 -0.200) 0.437 1.624 ( 1.072 -0.000 -1.048) 1.499 1.627 ( 0.668 -0.000 -2.072) 2.177 1.650 ( 5.941 -0.000 -6.692) 8.948 1.738 ( -1.287 0.000 -2.225) 2.571 1.748 ( -0.965 0.000 -1.086) 1.453 1.931 ( 2.596 -0.000 0.562) 2.656 1.997 ( 2.010 -0.000 -1.393) 2.446 2.040 ( 4.017 -0.000 -0.484) 4.046 2.118 ( 1.080 -0.000 -0.104) 1.085 2.186 ( -1.276 0.000 0.512) 1.375 2.323 ( 1.623 -0.000 0.653) 1.749 2.383 ( -2.789 0.000 0.162) 2.794 2.448 ( -2.398 0.000 -0.515) 2.453 2.522 ( -0.798 0.000 0.166) 0.815 2.625 ( 0.592 -0.000 -1.093) 1.243 2.653 ( -0.077 0.000 -4.432) 4.433 2.677 ( 0.317 -0.000 -0.995) 1.044 2.695 ( -2.066 0.000 1.430) 2.512 2.716 ( 2.009 -0.000 -3.342) 3.899 2.883 ( -4.219 0.000 -3.366) 5.397 2.892 ( 0.465 -0.000 -0.014) 0.465 2.937 ( 0.977 -0.000 -0.584) 1.138 3.029 ( 2.026 -0.000 -0.894) 2.215 3.038 ( 3.636 -0.000 -0.953) 3.759 3.085 ( -1.522 0.000 0.347) 1.561 3.176 ( -5.980 0.000 -0.394) 5.993 3.179 ( -4.859 0.000 -1.966) 5.242 3.223 ( -2.910 0.000 0.191) 2.916 3.297 ( -1.859 0.000 0.636) 1.965 3.329 ( -0.157 0.000 0.206) 0.259 3.368 ( -1.608 0.000 -1.479) 2.185 3.520 ( -1.521 0.000 2.002) 2.514 3.814 ( 1.238 -0.000 0.006) 1.238 3.882 ( -0.509 0.000 7.920) 7.937 4.146 ( 0.062 -0.000 0.778) 0.780 4.294 ( -5.966 0.000 9.845) 11.512 4.461 ( 3.051 -0.000 0.194) 3.057 4.716 ( 0.986 -0.000 0.801) 1.270 5.018 ( 9.889 -0.000 -16.716) 19.421 5.113 ( -0.449 0.000 -0.023) 0.450 5.849 ( -0.869 0.000 0.390) 0.952 6.011 ( -0.575 0.000 -3.487) 3.534 6.334 ( -5.766 0.000 5.686) 8.098 6.750 ( -2.145 0.000 -9.383) 9.625 7.029 ( 3.929 -0.000 -2.141) 4.475 7.132 ( 0.825 -0.000 1.744) 1.930 7.140 ( 2.940 -0.000 -1.287) 3.209 7.299 ( 1.424 -0.000 -1.694) 2.212 7.429 ( -4.931 0.000 0.876) 5.009 7.779 ( -0.312 0.000 -1.605) 1.635 8.471 ( -2.388 0.000 1.795) 2.987 8.504 ( 0.026 -0.000 4.199) 4.199 8.908 ( 14.820 -0.000 7.566) 16.639 9.208 ( 8.432 -0.000 7.519) 11.297 9.547 ( -1.245 0.000 -2.228) 2.552 9.580 ( -0.778 0.000 0.429) 0.889 9.639 ( -2.555 0.000 5.916) 6.444 9.719 ( -2.189 0.000 2.005) 2.969 9.815 ( 0.461 -0.000 -1.302) 1.381 9.937 ( -6.328 0.000 -3.416) 7.191 10.122 ( 1.531 -0.000 2.703) 3.106 10.745 ( -0.081 0.000 -0.170) 0.189 11.114 ( -0.799 0.000 0.698) 1.061 11.384 ( -0.268 0.000 -3.527) 3.538 11.999 ( -0.934 0.000 -0.342) 0.995 12.565 ( 0.877 -0.000 -1.139) 1.437 12.615 ( 0.503 -0.000 -1.957) 2.021 12.914 ( 1.293 -0.000 2.093) 2.460 13.001 ( 3.527 -0.000 -1.841) 3.978 13.186 ( -14.016 0.000 -3.829) 14.530 13.464 ( -3.756 0.000 -0.758) 3.832 13.464 ( -0.541 0.000 -0.956) 1.098 14.314 ( 3.636 -0.000 10.002) 10.642 14.978 ( 11.893 -0.000 0.228) 11.896 15.163 ( -4.878 0.000 -4.498) 6.635 15.678 ( 0.328 -0.000 -0.117) 0.348 15.679 ( -4.771 0.000 -7.195) 8.633 15.743 ( -1.089 0.000 0.489) 1.194 15.856 ( 3.923 -0.000 -0.212) 3.929 16.255 ( 8.247 -0.000 7.094) 10.879 ======================= Grid point 149 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 0.000 -0.000 0.000) 0.000 0.679 ( -0.000 0.000 0.000) 0.000 0.701 ( 0.000 -0.000 0.000) 0.000 0.806 ( 0.000 -0.000 0.000) 0.000 1.094 ( 0.000 -0.000 0.000) 0.000 1.125 ( 0.000 -0.000 0.000) 0.000 1.299 ( 0.000 -0.000 0.000) 0.000 1.313 ( -0.000 0.000 0.000) 0.000 1.383 ( 0.000 -0.000 0.000) 0.000 1.553 ( 0.000 -0.000 0.000) 0.000 1.563 ( 0.000 -0.000 0.000) 0.000 1.610 ( -0.000 0.000 0.000) 0.000 1.623 ( 0.000 -0.000 0.000) 0.000 1.693 ( 0.000 -0.000 0.000) 0.000 1.728 ( 0.000 -0.000 0.000) 0.000 1.957 ( 0.000 -0.000 0.000) 0.000 1.964 ( 0.000 -0.000 0.000) 0.000 2.063 ( 0.000 -0.000 0.000) 0.000 2.111 ( 0.000 -0.000 0.000) 0.000 2.196 ( -0.000 0.000 0.000) 0.000 2.341 ( 0.000 -0.000 0.000) 0.000 2.373 ( 0.000 -0.000 0.000) 0.000 2.410 ( 0.000 -0.000 0.000) 0.000 2.520 ( 0.000 -0.000 0.000) 0.000 2.564 ( 0.000 -0.000 -0.000) 0.000 2.595 ( -0.000 0.000 0.000) 0.000 2.655 ( 0.000 -0.000 0.000) 0.000 2.716 ( -0.000 0.000 0.000) 0.000 2.766 ( 0.000 -0.000 0.000) 0.000 2.789 ( 0.000 -0.000 0.000) 0.000 2.896 ( -0.000 0.000 0.000) 0.000 2.916 ( 0.000 -0.000 0.000) 0.000 3.016 ( -0.000 0.000 0.000) 0.000 3.049 ( -0.000 0.000 0.000) 0.000 3.074 ( 0.000 -0.000 0.000) 0.000 3.110 ( 0.000 -0.000 0.000) 0.000 3.128 ( -0.000 0.000 0.000) 0.000 3.198 ( 0.000 -0.000 0.000) 0.000 3.302 ( 0.000 -0.000 0.000) 0.000 3.337 ( 0.000 -0.000 0.000) 0.000 3.343 ( -0.000 0.000 0.000) 0.000 3.553 ( 0.000 -0.000 0.000) 0.000 3.829 ( 0.000 -0.000 0.000) 0.000 3.995 ( 0.000 -0.000 0.000) 0.000 4.146 ( 0.000 -0.000 0.000) 0.000 4.474 ( 0.000 -0.000 0.000) 0.000 4.540 ( -0.000 0.000 0.000) 0.000 4.730 ( 0.000 -0.000 0.000) 0.000 4.737 ( -0.000 0.000 0.000) 0.000 5.108 ( 0.000 -0.000 0.000) 0.000 5.859 ( -0.000 0.000 0.000) 0.000 5.976 ( 0.000 -0.000 0.000) 0.000 6.324 ( 0.000 -0.000 0.000) 0.000 6.611 ( 0.000 -0.000 0.000) 0.000 7.036 ( 0.000 -0.000 0.000) 0.000 7.121 ( 0.000 -0.000 0.000) 0.000 7.179 ( 0.000 -0.000 0.000) 0.000 7.285 ( 0.000 -0.000 0.000) 0.000 7.430 ( 0.000 -0.000 0.000) 0.000 7.739 ( 0.000 -0.000 0.000) 0.000 8.512 ( -0.000 0.000 0.000) 0.000 8.553 ( 0.000 -0.000 0.000) 0.000 9.056 ( 0.000 -0.000 0.000) 0.000 9.410 ( 0.000 -0.000 0.000) 0.000 9.473 ( 0.000 -0.000 0.000) 0.000 9.614 ( -0.000 0.000 0.000) 0.000 9.638 ( 0.000 -0.000 0.000) 0.000 9.726 ( -0.000 0.000 0.000) 0.000 9.784 ( 0.000 -0.000 0.000) 0.000 9.984 ( 0.000 -0.000 0.000) 0.000 10.186 ( 0.000 -0.000 0.000) 0.000 10.712 ( 0.000 -0.000 0.000) 0.000 11.109 ( 0.000 -0.000 0.000) 0.000 11.310 ( 0.000 -0.000 0.000) 0.000 11.980 ( 0.000 -0.000 0.000) 0.000 12.554 ( 0.000 -0.000 0.000) 0.000 12.591 ( 0.000 -0.000 0.000) 0.000 12.965 ( 0.000 -0.000 0.000) 0.000 12.984 ( -0.000 0.000 0.000) 0.000 13.137 ( 0.000 -0.000 0.000) 0.000 13.369 ( -0.000 0.000 0.000) 0.000 13.443 ( 0.000 -0.000 0.000) 0.000 14.537 ( 0.000 -0.000 0.000) 0.000 15.061 ( 0.000 -0.000 0.000) 0.000 15.062 ( -0.000 0.000 -0.000) 0.000 15.465 ( 0.000 -0.000 0.000) 0.000 15.680 ( 0.000 -0.000 0.000) 0.000 15.740 ( 0.000 -0.000 0.000) 0.000 15.917 ( -0.000 0.000 0.000) 0.000 16.370 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 151 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 1.780 -10.411 -0.973) 10.607 0.628 ( 1.590 5.883 -1.153) 6.202 0.733 ( -0.774 2.079 -6.125) 6.514 0.821 ( -1.262 -11.800 2.657) 12.161 1.096 ( -0.766 0.089 0.092) 0.776 1.225 ( 1.105 -2.705 0.576) 2.979 1.252 ( -0.375 5.255 0.565) 5.299 1.285 ( 1.451 -3.250 -0.298) 3.571 1.457 ( -0.120 -3.079 -0.490) 3.120 1.567 ( 0.045 -0.745 0.050) 0.748 1.589 ( -0.223 -2.069 0.704) 2.197 1.619 ( -0.490 -0.974 -0.976) 1.463 1.643 ( 1.260 -4.329 -0.789) 4.577 1.684 ( 1.906 -1.299 0.474) 2.355 1.762 ( -0.444 -2.171 0.070) 2.217 1.914 ( 0.765 2.355 0.730) 2.581 1.977 ( -1.699 -0.404 -0.365) 1.784 2.038 ( -0.839 1.465 0.584) 1.787 2.107 ( 0.158 0.582 0.760) 0.970 2.190 ( -0.333 0.084 -0.318) 0.468 2.287 ( 1.452 2.948 0.055) 3.286 2.433 ( 0.700 7.730 0.619) 7.786 2.439 ( -1.567 -3.361 0.129) 3.711 2.470 ( 0.746 -2.206 -1.175) 2.609 2.555 ( -0.059 3.338 0.206) 3.345 2.592 ( -0.982 2.459 1.014) 2.836 2.611 ( 1.375 0.632 0.266) 1.537 2.689 ( -2.001 -1.752 -0.089) 2.661 2.723 ( -0.820 3.616 -2.366) 4.399 2.780 ( 2.366 1.694 0.922) 3.052 2.887 ( -0.573 2.391 0.930) 2.629 2.943 ( -1.503 -2.145 -0.149) 2.623 2.988 ( 0.044 3.113 0.698) 3.190 3.050 ( 1.202 1.421 0.709) 1.992 3.055 ( 2.219 3.882 -0.602) 4.512 3.123 ( -4.181 -3.596 2.083) 5.894 3.169 ( 0.907 2.328 -0.620) 2.574 3.208 ( 5.435 -3.397 -0.422) 6.423 3.260 ( 0.074 2.151 -0.441) 2.197 3.374 ( -0.301 -3.744 0.687) 3.819 3.383 ( 1.164 -1.590 0.109) 1.974 3.574 ( -0.260 -3.250 -0.399) 3.285 3.823 ( -0.501 -0.717 -0.449) 0.983 4.027 ( -0.763 -4.124 -0.637) 4.242 4.162 ( -0.619 -1.687 0.349) 1.831 4.424 ( -1.049 4.837 0.049) 4.950 4.615 ( 0.666 -4.786 -0.894) 4.914 4.719 ( 0.021 -1.086 -1.200) 1.619 4.823 ( -1.723 -10.253 1.860) 10.562 5.035 ( 0.166 8.215 0.090) 8.217 5.823 ( 0.200 3.851 0.117) 3.858 5.930 ( 1.126 4.670 -0.770) 4.865 6.250 ( 2.866 9.072 -0.260) 9.517 6.521 ( -1.399 9.380 0.307) 9.489 7.003 ( -0.892 3.745 -0.435) 3.874 7.162 ( -0.201 -5.429 -0.270) 5.440 7.266 ( 0.905 -7.388 0.298) 7.449 7.325 ( 0.378 3.218 0.080) 3.241 7.497 ( 0.906 -13.237 1.459) 13.348 7.786 ( 0.602 -4.657 0.539) 4.727 8.408 ( 0.180 7.349 0.100) 7.352 8.586 ( -1.241 -3.674 -2.020) 4.372 9.189 ( -3.215 -12.317 1.201) 12.786 9.391 ( -2.544 0.085 -2.995) 3.931 9.546 ( 0.579 -3.847 1.089) 4.040 9.625 ( -0.059 -2.667 0.152) 2.672 9.695 ( 0.697 -5.305 0.894) 5.425 9.778 ( 0.156 -6.331 -0.318) 6.341 9.784 ( -0.474 -0.773 1.839) 2.051 10.017 ( -0.981 -4.685 -2.505) 5.402 10.169 ( -0.839 0.998 -0.635) 1.450 10.687 ( -1.346 2.650 2.232) 3.717 10.947 ( 1.579 15.239 -0.172) 15.321 11.258 ( 2.664 6.683 -0.380) 7.204 12.167 ( 0.464 -16.965 0.371) 16.975 12.590 ( 0.195 -0.038 0.098) 0.221 12.684 ( -1.081 -13.846 0.064) 13.888 12.893 ( -1.099 4.429 -0.242) 4.570 13.056 ( -1.628 -5.288 0.261) 5.539 13.143 ( 4.551 0.547 -1.493) 4.821 13.367 ( 2.645 2.016 1.968) 3.864 13.421 ( 1.072 2.481 0.189) 2.709 14.503 ( -1.328 2.579 -2.452) 3.799 14.997 ( -8.986 0.207 -0.757) 9.020 15.120 ( 3.743 -1.628 0.831) 4.165 15.277 ( 2.846 15.275 2.296) 15.707 15.560 ( 0.338 11.771 0.342) 11.781 15.864 ( -2.924 3.624 -0.547) 4.689 15.951 ( 0.814 -14.824 0.394) 14.851 16.429 ( -1.563 -6.316 -1.078) 6.595 ======================= Grid point 152 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 1.757 0.170 -0.295) 1.789 0.595 ( 1.270 -10.205 -2.456) 10.573 0.692 ( 0.017 -1.637 -2.371) 2.881 1.042 ( -1.553 -0.653 -0.197) 1.696 1.043 ( -3.845 -2.237 -0.164) 4.451 1.162 ( 1.838 4.948 0.950) 5.363 1.179 ( 2.182 -0.363 0.396) 2.248 1.410 ( -0.218 1.312 -0.057) 1.331 1.487 ( -0.013 -6.991 -0.065) 6.991 1.562 ( 0.398 1.424 1.074) 1.828 1.623 ( -1.287 -1.155 -1.608) 2.361 1.639 ( 1.468 -4.375 0.004) 4.614 1.746 ( 0.551 -6.012 -0.535) 6.061 1.776 ( 0.339 -2.782 0.359) 2.825 1.834 ( -0.660 -6.404 0.490) 6.457 1.921 ( 3.146 -0.969 -0.379) 3.314 1.967 ( -0.015 -2.108 0.162) 2.115 2.033 ( 1.366 0.710 1.199) 1.951 2.101 ( -0.717 -0.528 0.134) 0.900 2.179 ( -1.813 0.682 0.915) 2.143 2.274 ( 2.453 0.229 -1.412) 2.840 2.305 ( -0.393 7.570 1.463) 7.720 2.337 ( 3.087 9.014 0.225) 9.531 2.486 ( -0.444 -0.957 -0.302) 1.097 2.514 ( -1.065 1.544 -0.570) 1.960 2.570 ( -4.111 5.147 -1.281) 6.710 2.605 ( 0.398 2.447 -0.775) 2.598 2.646 ( -3.814 -1.323 0.928) 4.142 2.712 ( 0.863 -1.025 0.177) 1.351 2.780 ( 1.138 0.266 -0.715) 1.370 2.849 ( -0.187 2.141 0.938) 2.345 2.907 ( -1.720 1.693 -0.378) 2.443 2.933 ( 0.251 6.155 1.160) 6.268 2.978 ( 0.616 1.987 -1.225) 2.414 3.044 ( 2.780 3.065 1.383) 4.363 3.115 ( 0.738 1.367 -1.566) 2.206 3.153 ( -1.431 0.129 3.016) 3.341 3.254 ( 0.414 -1.823 -0.811) 2.038 3.301 ( 1.609 -2.090 0.301) 2.654 3.379 ( -0.205 3.759 0.608) 3.813 3.401 ( 1.980 0.931 1.540) 2.676 3.739 ( -0.143 -16.063 -0.471) 16.071 3.870 ( 0.170 -4.940 -1.322) 5.117 4.120 ( -0.474 -6.787 -0.673) 6.836 4.188 ( -1.781 -2.176 0.626) 2.880 4.311 ( -1.081 6.192 -0.621) 6.316 4.557 ( -0.552 7.511 0.705) 7.564 4.828 ( 0.420 14.587 0.114) 14.593 4.886 ( 2.799 -12.529 -4.131) 13.486 5.039 ( -2.831 -13.161 3.450) 13.897 5.750 ( -0.419 3.494 0.364) 3.538 5.857 ( 2.007 3.879 -0.621) 4.412 6.075 ( 1.174 11.222 -0.910) 11.320 6.287 ( -2.001 14.476 -1.037) 14.650 6.922 ( -1.186 3.039 -0.413) 3.288 7.178 ( 1.509 10.266 0.559) 10.391 7.284 ( -0.205 -7.908 -1.162) 7.995 7.447 ( -0.526 -8.929 -0.826) 8.982 7.762 ( 5.623 -8.330 5.970) 11.690 7.894 ( 1.209 -5.695 0.230) 5.827 8.364 ( 0.073 -2.993 0.449) 3.027 8.614 ( -2.896 -2.021 -3.535) 4.997 9.316 ( -4.420 -4.010 -3.526) 6.932 9.391 ( -2.405 -3.740 1.647) 4.742 9.584 ( 0.846 -0.377 1.059) 1.407 9.692 ( 0.717 -3.417 2.689) 4.407 9.767 ( -0.884 -1.928 -2.287) 3.120 9.813 ( 0.050 -2.728 2.240) 3.531 9.992 ( -1.339 -14.212 -0.298) 14.278 10.104 ( -0.766 -6.941 -2.845) 7.540 10.167 ( -3.093 -3.932 -0.018) 5.003 10.630 ( -2.539 3.130 5.138) 6.530 10.689 ( 3.295 14.364 -0.334) 14.740 11.122 ( 5.358 11.679 -1.348) 12.920 12.473 ( 1.254 -13.032 1.366) 13.163 12.620 ( 0.244 -5.745 -0.631) 5.784 12.790 ( -1.899 4.825 -0.346) 5.197 12.934 ( -4.753 -12.811 -1.922) 13.798 13.129 ( -3.991 -4.780 1.357) 6.373 13.197 ( 7.970 -1.630 0.948) 8.190 13.344 ( 2.655 3.709 1.202) 4.717 13.412 ( 4.120 0.248 1.544) 4.406 14.423 ( -1.914 2.220 -4.470) 5.345 14.885 ( -4.635 8.438 1.266) 9.710 15.072 ( -0.943 7.310 1.143) 7.459 15.153 ( -0.482 1.299 -3.017) 3.320 15.397 ( 5.256 6.835 6.635) 10.880 15.736 ( -4.379 5.827 -3.718) 8.182 16.200 ( 1.198 -11.231 0.817) 11.325 16.522 ( -2.502 -6.159 -2.104) 6.973 ======================= Grid point 153 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 1.047 -6.331 0.106) 6.417 0.731 ( 0.118 -3.665 -0.685) 3.730 0.747 ( 1.849 -3.300 -0.163) 3.787 0.890 ( -3.054 7.265 -1.547) 8.031 1.023 ( -1.521 2.456 0.652) 2.962 1.095 ( 2.668 3.528 0.403) 4.442 1.318 ( -1.068 -6.134 -0.663) 6.261 1.372 ( 0.061 1.329 0.697) 1.502 1.560 ( -0.298 -0.307 1.140) 1.218 1.561 ( 2.115 -2.091 0.678) 3.050 1.634 ( -1.212 -1.888 0.156) 2.249 1.728 ( -0.325 1.763 -2.420) 3.011 1.790 ( -0.804 -5.297 -0.441) 5.376 1.849 ( -0.120 -0.509 -1.346) 1.444 1.906 ( 0.729 -5.426 1.128) 5.590 1.939 ( 1.197 0.362 1.876) 2.254 2.042 ( 0.271 -0.609 -0.840) 1.073 2.072 ( 2.322 -1.724 0.738) 2.984 2.118 ( -0.674 4.246 1.401) 4.522 2.128 ( 0.464 -2.643 -0.439) 2.719 2.206 ( 0.303 0.580 -2.371) 2.460 2.250 ( -0.195 3.327 3.172) 4.600 2.328 ( 3.811 -1.993 -1.899) 4.701 2.429 ( -3.541 3.809 0.146) 5.203 2.462 ( 0.532 2.708 0.639) 2.833 2.495 ( 0.044 1.758 0.278) 1.780 2.546 ( -2.581 1.029 -1.796) 3.308 2.622 ( -1.004 0.920 0.880) 1.621 2.735 ( -0.963 -1.061 -0.214) 1.449 2.768 ( 1.448 0.970 -0.985) 2.003 2.805 ( -0.164 1.525 -1.330) 2.030 2.829 ( -1.177 4.689 1.816) 5.165 2.922 ( -2.053 -2.945 0.295) 3.602 2.950 ( 1.635 1.598 -0.320) 2.309 3.030 ( 3.247 0.219 0.354) 3.273 3.096 ( -2.068 2.162 0.363) 3.013 3.156 ( -0.231 -1.332 -0.080) 1.355 3.257 ( 0.716 1.300 -0.837) 1.704 3.316 ( -0.188 2.210 1.223) 2.533 3.340 ( 0.013 -1.521 0.091) 1.524 3.405 ( 1.280 0.721 1.031) 1.795 3.942 ( 0.695 -3.749 -0.575) 3.856 4.063 ( -0.572 -15.369 -0.300) 15.382 4.198 ( -0.578 3.496 -0.158) 3.547 4.211 ( 0.373 -4.293 -0.193) 4.314 4.276 ( -1.937 -9.445 -0.640) 9.663 4.400 ( -0.066 10.341 0.923) 10.382 4.534 ( 0.907 17.497 0.224) 17.522 5.103 ( 2.453 -9.624 -2.430) 10.225 5.191 ( -1.794 -2.568 1.587) 3.511 5.740 ( -1.442 -3.425 0.482) 3.747 5.840 ( 1.134 -0.979 1.154) 1.891 5.910 ( 0.042 6.273 0.633) 6.305 6.012 ( -0.339 13.154 -2.903) 13.475 6.907 ( -0.799 -2.854 -0.096) 2.966 7.013 ( 0.742 8.598 -0.022) 8.630 7.405 ( -0.075 -5.326 -0.938) 5.408 7.523 ( -0.335 -0.597 -0.148) 0.700 7.922 ( 4.462 -3.259 4.657) 7.226 7.970 ( -0.211 -1.697 -1.484) 2.264 8.471 ( 1.200 -5.962 2.341) 6.516 8.575 ( -2.715 2.198 -3.634) 5.041 9.327 ( -2.124 -2.156 -2.314) 3.810 9.423 ( -0.569 -0.464 1.091) 1.315 9.596 ( -0.189 -0.698 0.826) 1.098 9.731 ( 0.172 2.096 -1.757) 2.741 9.773 ( -0.262 -2.074 1.604) 2.635 9.862 ( 1.394 -0.933 1.726) 2.407 10.147 ( -0.074 -5.227 -5.994) 7.953 10.209 ( -3.692 -1.992 3.199) 5.275 10.252 ( -3.669 -11.129 -0.132) 11.719 10.458 ( 3.997 13.444 0.537) 14.036 10.701 ( -3.661 -10.328 5.749) 12.374 10.924 ( 6.013 14.425 -3.341) 15.981 12.586 ( 1.529 -2.190 0.927) 2.827 12.687 ( -1.741 3.498 -0.948) 4.020 12.844 ( 0.819 -12.905 0.692) 12.950 13.000 ( -2.736 0.551 -2.487) 3.738 13.157 ( -0.350 -0.601 0.558) 0.892 13.230 ( -0.608 3.132 1.582) 3.562 13.361 ( 3.122 -2.028 0.678) 3.784 13.474 ( 2.156 -1.883 1.421) 3.196 14.423 ( -0.385 -6.780 -3.398) 7.594 14.636 ( -1.015 15.131 1.337) 15.224 15.016 ( -3.705 -1.178 0.042) 3.888 15.088 ( 1.390 3.191 -1.322) 3.723 15.448 ( 5.711 -1.545 8.715) 10.533 15.581 ( -4.934 4.455 -7.252) 9.838 16.352 ( 0.817 -4.181 0.536) 4.293 16.577 ( -1.431 -2.435 -1.097) 3.030 ======================= Grid point 158 (77/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 4.028 -0.000 -1.751) 4.392 0.611 ( -4.954 0.000 -5.227) 7.202 0.715 ( 3.016 -0.000 -4.287) 5.242 0.789 ( -0.004 0.000 -2.089) 2.089 1.090 ( -0.626 0.000 0.276) 0.684 1.151 ( 1.606 -0.000 2.215) 2.736 1.310 ( -0.538 0.000 0.897) 1.046 1.314 ( 1.595 -0.000 0.471) 1.663 1.402 ( 2.581 -0.000 -1.583) 3.028 1.551 ( -0.030 0.000 -0.334) 0.336 1.568 ( -0.421 0.000 0.653) 0.777 1.606 ( 0.402 -0.000 -1.216) 1.280 1.622 ( 0.517 -0.000 -1.050) 1.170 1.714 ( 2.670 -0.000 0.252) 2.682 1.736 ( 0.844 -0.000 0.327) 0.905 1.938 ( -2.329 0.000 -0.237) 2.341 1.959 ( -1.747 0.000 1.772) 2.489 2.032 ( -3.914 0.000 0.329) 3.928 2.112 ( -0.233 0.000 0.476) 0.530 2.190 ( -0.621 0.000 0.106) 0.630 2.349 ( 1.610 -0.000 -1.549) 2.234 2.391 ( 2.321 -0.000 -0.629) 2.404 2.425 ( 1.719 -0.000 1.216) 2.106 2.523 ( 0.191 -0.000 0.559) 0.591 2.565 ( -1.171 0.000 2.202) 2.494 2.602 ( 0.139 -0.000 0.810) 0.822 2.652 ( -1.263 0.000 1.610) 2.046 2.722 ( -2.380 0.000 -3.022) 3.847 2.722 ( 1.177 -0.000 -0.689) 1.364 2.842 ( 3.848 -0.000 1.121) 4.008 2.891 ( -0.697 0.000 0.102) 0.704 2.904 ( -1.424 0.000 2.357) 2.753 3.000 ( -4.392 0.000 1.281) 4.575 3.028 ( 0.868 -0.000 -0.434) 0.970 3.074 ( -0.460 0.000 1.032) 1.130 3.165 ( 5.323 -0.000 -0.466) 5.343 3.167 ( 5.554 -0.000 0.091) 5.555 3.240 ( 3.294 -0.000 -0.577) 3.344 3.313 ( 1.961 -0.000 0.049) 1.962 3.337 ( -0.263 0.000 0.929) 0.965 3.345 ( 0.631 -0.000 -0.791) 1.012 3.548 ( -0.215 0.000 -0.408) 0.462 3.816 ( -1.710 0.000 0.025) 1.710 3.973 ( -1.739 0.000 -1.668) 2.409 4.143 ( -0.664 0.000 0.615) 0.905 4.457 ( -2.480 0.000 0.482) 2.526 4.543 ( 1.813 -0.000 -2.693) 3.247 4.717 ( -2.625 0.000 2.035) 3.321 4.725 ( -1.503 0.000 0.050) 1.504 5.111 ( 0.341 -0.000 0.184) 0.387 5.865 ( 0.592 -0.000 0.179) 0.619 5.986 ( 2.117 -0.000 -1.521) 2.606 6.396 ( 7.748 -0.000 -0.025) 7.748 6.608 ( -2.014 0.000 3.392) 3.944 7.018 ( -1.545 0.000 -1.208) 1.961 7.119 ( -0.345 0.000 -0.053) 0.349 7.163 ( -1.223 0.000 -1.143) 1.674 7.282 ( -0.464 0.000 0.276) 0.540 7.441 ( 1.424 -0.000 0.258) 1.447 7.750 ( 0.679 -0.000 1.082) 1.278 8.490 ( -1.616 0.000 -0.612) 1.728 8.563 ( 1.008 -0.000 -0.770) 1.268 8.993 ( -5.367 0.000 -2.875) 6.089 9.346 ( -5.855 0.000 -5.311) 7.905 9.494 ( 1.135 -0.000 2.432) 2.684 9.591 ( -0.739 0.000 -0.111) 0.748 9.696 ( 1.950 -0.000 4.214) 4.644 9.717 ( -0.899 0.000 -0.210) 0.923 9.786 ( -0.019 0.000 0.552) 0.552 9.952 ( -0.937 0.000 -3.112) 3.250 10.168 ( -1.228 0.000 -1.474) 1.918 10.712 ( -1.624 0.000 3.095) 3.495 11.123 ( 1.272 -0.000 -0.248) 1.296 11.344 ( 4.358 -0.000 -0.488) 4.386 11.991 ( 1.030 -0.000 0.412) 1.109 12.547 ( -0.968 0.000 0.509) 1.093 12.598 ( 0.971 -0.000 -0.420) 1.058 12.946 ( -1.732 0.000 -0.902) 1.953 12.969 ( -2.459 0.000 0.910) 2.622 13.185 ( 7.496 -0.000 -1.953) 7.747 13.430 ( 5.319 -0.000 2.557) 5.902 13.453 ( 1.066 -0.000 0.094) 1.070 14.495 ( -2.598 0.000 -5.297) 5.900 14.921 ( -11.047 0.000 2.411) 11.307 15.126 ( 2.261 -0.000 -0.040) 2.261 15.540 ( 5.344 -0.000 5.170) 7.436 15.674 ( -0.685 0.000 0.273) 0.737 15.751 ( 1.219 -0.000 -0.245) 1.244 15.863 ( -5.146 0.000 -0.949) 5.232 16.340 ( -3.405 0.000 -1.772) 3.839 ======================= Grid point 159 (78/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 1.557 -8.375 -1.891) 8.726 0.620 ( -0.345 -2.822 -5.477) 6.171 0.695 ( 3.742 5.183 -3.909) 7.493 0.791 ( -3.573 -9.938 -0.863) 10.596 1.077 ( -1.615 1.360 0.063) 2.112 1.253 ( 0.067 5.254 0.638) 5.293 1.258 ( 1.640 -3.874 1.216) 4.379 1.321 ( 2.893 -1.985 0.636) 3.566 1.445 ( -0.594 -1.431 -1.126) 1.915 1.564 ( -0.831 -0.983 -0.534) 1.394 1.581 ( -0.632 -2.129 -0.190) 2.229 1.616 ( 1.101 -1.212 -0.332) 1.671 1.653 ( 1.210 -3.551 -1.613) 4.083 1.743 ( 3.962 -1.776 0.502) 4.371 1.760 ( 0.583 -1.620 0.339) 1.755 1.923 ( -1.052 -0.883 0.053) 1.374 1.944 ( -2.210 0.357 0.646) 2.330 2.003 ( -3.645 -1.187 0.670) 3.891 2.123 ( 0.232 -0.114 0.750) 0.793 2.187 ( -0.260 0.089 0.632) 0.689 2.310 ( 1.952 3.061 -1.446) 3.908 2.407 ( -1.217 1.554 -0.377) 2.009 2.467 ( 1.907 4.521 1.853) 5.245 2.484 ( 2.387 -1.631 -0.604) 2.953 2.552 ( -1.211 4.283 0.879) 4.537 2.590 ( -1.134 0.839 2.217) 2.627 2.627 ( -2.995 4.623 -1.081) 5.614 2.636 ( 1.002 1.178 0.720) 1.706 2.715 ( -0.440 -1.089 -0.240) 1.199 2.801 ( 0.026 3.760 -0.299) 3.772 2.894 ( -0.267 1.509 2.142) 2.634 2.922 ( -0.102 -0.108 -1.573) 1.580 2.993 ( -1.225 1.627 1.991) 2.849 3.065 ( 0.405 -2.026 0.662) 2.169 3.083 ( 1.598 2.683 0.402) 3.149 3.152 ( 5.349 1.213 0.750) 5.536 3.179 ( 0.807 3.552 0.446) 3.670 3.251 ( 0.382 1.665 -1.558) 2.312 3.294 ( 4.086 -0.807 0.790) 4.239 3.372 ( -0.810 -3.166 0.664) 3.335 3.418 ( 2.564 -3.054 0.594) 4.032 3.564 ( -0.144 -2.350 -0.532) 2.414 3.803 ( -0.987 -1.582 -1.047) 2.138 3.996 ( -1.972 -4.898 -1.454) 5.477 4.152 ( -1.133 -1.203 0.797) 1.835 4.393 ( -2.644 4.447 -0.430) 5.192 4.619 ( 1.050 -3.649 -1.640) 4.136 4.703 ( 0.733 -2.884 -3.511) 4.602 4.802 ( -4.368 -10.430 4.743) 12.262 5.043 ( 0.617 8.133 0.248) 8.160 5.831 ( 0.513 4.177 0.441) 4.231 5.952 ( 2.862 4.490 -1.538) 5.542 6.310 ( 4.715 13.066 -1.655) 13.989 6.486 ( -3.455 10.653 0.769) 11.226 6.968 ( -2.413 3.341 -1.457) 4.371 7.155 ( -0.044 -5.346 -0.889) 5.420 7.257 ( -1.561 -8.547 -1.213) 8.773 7.374 ( 3.827 6.605 2.499) 8.032 7.553 ( 2.755 -21.610 5.714) 22.522 7.809 ( 1.309 -4.949 0.988) 5.214 8.417 ( 0.897 7.591 0.205) 7.647 8.529 ( -2.099 -2.137 -3.783) 4.826 9.134 ( -4.560 -15.083 1.350) 15.814 9.256 ( -8.066 -1.265 -8.239) 11.599 9.576 ( 1.168 -2.799 2.263) 3.784 9.617 ( -0.376 -4.686 -1.242) 4.862 9.706 ( -0.432 -0.048 -0.101) 0.446 9.781 ( -1.579 -8.101 2.985) 8.776 9.796 ( -0.019 -0.821 1.141) 1.406 9.985 ( 0.452 -4.573 -0.665) 4.644 10.140 ( -1.254 0.998 -1.712) 2.345 10.686 ( -2.054 2.792 3.764) 5.117 10.976 ( 1.919 14.149 -0.317) 14.282 11.321 ( 5.484 6.426 -1.093) 8.518 12.182 ( 0.791 -17.020 0.595) 17.049 12.597 ( 0.440 -0.152 0.402) 0.615 12.659 ( -1.691 -11.471 -0.449) 11.604 12.857 ( -2.824 4.696 -0.741) 5.530 13.019 ( -3.326 -4.618 0.705) 5.734 13.253 ( 9.559 -0.550 0.651) 9.597 13.439 ( 2.777 2.550 0.460) 3.798 13.469 ( 5.207 1.586 1.648) 5.688 14.420 ( -3.567 2.203 -7.987) 9.021 14.863 ( -10.087 -1.486 4.442) 11.121 15.149 ( 2.085 0.185 -0.004) 2.093 15.354 ( 2.295 17.122 2.964) 17.527 15.596 ( 3.015 8.493 2.481) 9.347 15.777 ( -6.503 3.945 -1.831) 7.823 15.980 ( 1.964 -14.611 1.176) 14.789 16.361 ( -4.344 -6.678 -3.975) 8.904 ======================= Grid point 160 (79/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -1.394 -7.606 -1.768) 7.933 0.634 ( 3.826 -0.660 -0.784) 3.961 0.684 ( 1.778 -4.291 -2.553) 5.300 0.976 ( -4.114 -2.741 -0.605) 4.981 1.010 ( -2.105 -1.270 -0.405) 2.492 1.178 ( -0.478 0.106 0.287) 0.567 1.223 ( 2.865 5.268 -0.124) 5.998 1.402 ( -0.686 1.511 -0.089) 1.662 1.498 ( 0.690 -7.357 1.237) 7.492 1.568 ( -0.788 -0.550 -0.442) 1.057 1.600 ( 0.310 -0.492 -0.536) 0.791 1.666 ( 1.897 -3.391 -0.358) 3.902 1.734 ( -0.862 -3.447 -1.104) 3.721 1.794 ( 1.509 -4.083 0.531) 4.386 1.826 ( -0.740 -2.389 -0.372) 2.528 1.958 ( 1.291 -1.843 1.282) 2.590 1.981 ( -0.601 -5.776 -0.190) 5.810 2.039 ( 1.017 -4.623 -0.341) 4.746 2.107 ( 1.162 1.875 -0.214) 2.216 2.172 ( -1.415 1.946 1.912) 3.073 2.267 ( -0.283 4.563 -1.599) 4.843 2.336 ( 2.345 1.602 1.246) 3.101 2.391 ( 2.290 8.389 0.458) 8.708 2.463 ( -1.629 1.373 -0.500) 2.188 2.504 ( -3.216 4.390 1.040) 5.541 2.512 ( 1.547 1.510 -0.367) 2.193 2.600 ( -0.082 3.737 -0.919) 3.850 2.617 ( -1.972 -0.663 2.355) 3.142 2.713 ( -0.523 0.055 -0.528) 0.745 2.769 ( -1.214 -0.655 -0.877) 1.635 2.857 ( -0.226 3.766 0.551) 3.813 2.877 ( -0.979 1.722 -1.390) 2.420 2.950 ( 0.377 5.196 1.668) 5.471 2.982 ( 1.270 4.135 -1.395) 4.545 3.076 ( -0.491 1.531 1.053) 1.922 3.136 ( 2.700 2.719 0.143) 3.834 3.165 ( 1.146 2.062 1.062) 2.587 3.252 ( 0.088 -1.331 -0.684) 1.499 3.326 ( 1.132 -0.335 0.646) 1.345 3.370 ( -1.744 2.849 0.588) 3.392 3.450 ( 1.673 1.248 1.736) 2.715 3.731 ( -0.251 -17.032 -0.576) 17.044 3.868 ( 1.501 -5.331 -1.462) 5.728 4.093 ( -2.131 -8.177 -1.010) 8.510 4.168 ( -1.103 -1.373 0.776) 1.924 4.283 ( -1.295 5.215 -1.098) 5.484 4.552 ( -0.927 6.794 0.876) 6.913 4.837 ( 0.572 13.547 0.082) 13.559 4.900 ( 4.787 -12.253 -6.594) 14.715 5.017 ( -4.990 -13.570 5.970) 15.643 5.751 ( -0.088 4.500 0.784) 4.569 5.887 ( 2.337 4.081 -0.854) 4.779 6.082 ( 0.634 12.528 -0.981) 12.582 6.242 ( -1.769 13.657 -1.768) 13.884 6.889 ( -1.945 1.850 -1.042) 2.880 7.199 ( 0.512 10.670 0.192) 10.684 7.278 ( 0.821 -7.695 -1.096) 7.816 7.427 ( -1.008 -7.830 -0.946) 7.951 7.917 ( 2.295 -5.029 0.501) 5.550 7.945 ( 7.382 -7.621 9.118) 13.989 8.368 ( 0.183 -3.906 0.202) 3.916 8.539 ( -2.389 -1.679 -3.163) 4.305 9.207 ( -5.189 -5.335 -3.545) 8.243 9.364 ( -2.079 -8.141 0.427) 8.413 9.607 ( 0.471 0.695 1.233) 1.492 9.686 ( -2.814 -6.070 -0.439) 6.705 9.734 ( 0.563 -2.611 -2.582) 3.715 9.813 ( -2.947 -2.432 1.169) 3.996 9.978 ( 1.782 -11.347 -1.560) 11.592 10.095 ( -0.872 -5.958 3.132) 6.787 10.121 ( -2.759 -2.687 0.854) 3.944 10.631 ( -2.545 2.197 3.868) 5.125 10.738 ( 2.750 13.939 0.239) 14.209 11.195 ( 5.394 11.859 -2.445) 13.256 12.509 ( 1.429 -15.441 1.441) 15.574 12.618 ( 0.238 -4.010 -0.632) 4.066 12.744 ( -3.081 4.589 -1.024) 5.622 12.856 ( -2.925 -11.113 -1.909) 11.649 13.074 ( -4.194 -4.235 1.644) 6.183 13.335 ( 6.141 1.658 3.298) 7.165 13.414 ( 4.836 2.926 0.415) 5.668 13.492 ( 4.266 0.480 2.210) 4.828 14.331 ( -2.748 -0.512 -7.737) 8.227 14.846 ( -5.300 1.037 6.139) 8.177 15.024 ( -1.785 13.649 -3.073) 14.104 15.171 ( 2.783 4.263 2.361) 5.612 15.537 ( 4.790 3.280 5.522) 8.012 15.606 ( -6.012 6.274 -6.596) 10.909 16.226 ( 1.018 -10.523 0.557) 10.587 16.455 ( -2.935 -8.155 -2.596) 9.048 ======================= Grid point 161 (80/88) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 1.028 -5.826 0.290) 5.924 0.711 ( -1.394 -4.038 -1.066) 4.403 0.785 ( 1.940 -2.427 0.789) 3.205 0.841 ( -1.096 4.643 -1.710) 5.068 0.991 ( -2.648 1.851 0.372) 3.252 1.136 ( 2.043 5.790 -0.122) 6.141 1.294 ( -1.045 -7.096 -0.822) 7.219 1.380 ( 0.200 0.560 0.600) 0.845 1.550 ( -1.346 0.209 0.610) 1.493 1.589 ( 0.887 -0.030 -0.632) 1.089 1.636 ( 0.117 -4.089 1.974) 4.542 1.700 ( -0.401 1.461 -2.088) 2.580 1.777 ( -0.271 -5.107 -0.439) 5.133 1.834 ( -0.374 -1.103 -1.220) 1.687 1.931 ( 1.227 -6.511 1.215) 6.736 1.971 ( 0.405 1.933 1.504) 2.483 2.033 ( -0.100 3.417 -0.481) 3.452 2.093 ( -0.274 -3.452 -1.237) 3.677 2.111 ( -1.357 3.980 0.732) 4.268 2.137 ( 1.801 0.884 -0.046) 2.007 2.201 ( 1.191 -0.251 -2.133) 2.456 2.280 ( 1.456 4.336 1.701) 4.880 2.337 ( -2.031 2.042 0.627) 2.948 2.411 ( 0.594 0.064 0.086) 0.603 2.478 ( 0.418 2.880 1.054) 3.095 2.494 ( -0.613 4.817 -0.753) 4.914 2.510 ( -0.170 -5.032 0.330) 5.045 2.624 ( 0.201 0.239 0.961) 1.010 2.719 ( -0.268 -1.355 -0.503) 1.470 2.771 ( -1.182 0.587 -0.480) 1.404 2.793 ( 1.423 1.203 -1.941) 2.691 2.832 ( -1.162 2.887 1.721) 3.556 2.886 ( -1.918 -1.332 -0.365) 2.363 2.967 ( 0.955 0.295 -0.070) 1.002 3.045 ( -1.229 2.702 -1.220) 3.209 3.106 ( 2.667 1.305 1.150) 3.184 3.159 ( 0.636 -0.589 -0.070) 0.869 3.254 ( -0.039 0.799 -0.988) 1.271 3.290 ( -3.317 1.517 0.145) 3.650 3.347 ( 0.692 0.421 0.648) 1.037 3.438 ( 1.019 2.326 1.232) 2.823 3.958 ( 1.636 -2.563 -0.389) 3.065 4.051 ( -0.535 -15.864 -0.234) 15.875 4.189 ( -0.172 3.854 -0.352) 3.874 4.217 ( 0.311 -6.025 0.139) 6.035 4.240 ( -1.636 -10.992 -0.705) 11.136 4.404 ( -0.269 10.188 0.676) 10.214 4.546 ( 0.388 17.419 0.154) 17.424 5.122 ( 2.929 -9.315 -3.160) 10.263 5.175 ( -2.405 -2.966 2.540) 4.586 5.727 ( -1.143 -3.211 1.130) 3.591 5.854 ( 0.296 0.209 0.004) 0.362 5.926 ( 0.538 4.250 1.516) 4.545 5.983 ( 0.041 12.874 -3.029) 13.226 6.891 ( -0.857 -3.826 -0.357) 3.937 7.019 ( 0.185 8.833 -0.150) 8.837 7.408 ( 1.238 -5.774 -0.682) 5.944 7.499 ( -2.035 -1.683 -0.430) 2.676 7.956 ( -0.016 1.977 -1.184) 2.304 8.029 ( 3.793 3.028 3.661) 6.079 8.514 ( -1.575 -0.195 -0.300) 1.616 8.518 ( 1.679 -6.277 0.686) 6.534 9.300 ( -0.305 -6.758 0.333) 6.773 9.416 ( -0.477 -0.739 -0.896) 1.256 9.607 ( 0.351 -0.491 1.302) 1.435 9.717 ( 0.026 1.442 -2.119) 2.563 9.758 ( -0.944 -2.338 -1.387) 2.878 9.850 ( -3.206 -1.197 0.013) 3.422 10.154 ( 5.032 -6.536 -3.192) 8.844 10.187 ( -1.649 -9.722 -1.241) 9.939 10.223 ( -3.016 -3.976 8.170) 9.574 10.519 ( 2.797 13.190 0.510) 13.493 10.667 ( -4.990 -8.259 2.890) 10.073 10.967 ( 3.635 16.080 -4.111) 16.990 12.610 ( 0.272 0.762 0.493) 0.947 12.658 ( -0.669 0.256 -0.534) 0.894 12.857 ( 0.400 -15.049 0.072) 15.054 12.945 ( -1.634 -1.228 -1.776) 2.708 13.106 ( -4.037 -1.652 1.121) 4.503 13.287 ( 3.458 4.972 0.817) 6.111 13.417 ( 2.773 3.169 0.685) 4.266 13.504 ( 0.573 2.221 1.080) 2.535 14.396 ( 0.318 -10.681 -2.449) 10.963 14.644 ( 0.230 15.891 1.476) 15.961 14.954 ( -4.002 -5.518 0.396) 6.828 15.132 ( 3.112 4.097 2.655) 5.790 15.429 ( -4.880 4.686 -8.565) 10.915 15.588 ( 3.745 -1.597 5.175) 6.584 16.349 ( -0.830 -3.251 -0.730) 3.434 16.562 ( 0.027 -5.107 0.063) 5.108 ======================= Grid point 162 (81/88) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.490 7.305 -0.000) 7.322 0.725 ( -1.282 2.823 1.912) 3.642 0.733 ( 0.199 1.332 -1.541) 2.047 0.951 ( 3.004 -7.211 1.033) 7.880 1.011 ( -2.421 -6.224 -0.405) 6.691 1.068 ( -0.015 1.377 -0.672) 1.532 1.337 ( 0.739 6.823 0.297) 6.869 1.364 ( -0.347 -2.153 -0.503) 2.238 1.533 ( -0.818 1.667 0.189) 1.866 1.544 ( -0.575 0.119 -1.165) 1.305 1.660 ( 1.218 1.289 0.421) 1.823 1.743 ( -0.234 -0.354 1.016) 1.101 1.805 ( 0.544 4.360 0.147) 4.396 1.858 ( 0.018 -2.474 0.417) 2.509 1.887 ( -0.762 7.123 -0.244) 7.168 1.915 ( -0.203 1.102 -0.968) 1.481 2.036 ( -0.535 2.825 0.107) 2.877 2.039 ( -0.979 6.019 -0.350) 6.109 2.099 ( -0.981 -4.430 -0.411) 4.555 2.143 ( 1.468 -2.120 -0.275) 2.594 2.202 ( -1.259 -2.822 -0.035) 3.090 2.244 ( 0.989 1.627 -1.197) 2.249 2.297 ( -1.790 3.492 1.937) 4.376 2.453 ( -0.168 -3.325 0.042) 3.330 2.474 ( 1.943 -5.306 -0.558) 5.678 2.490 ( -0.824 -2.574 0.460) 2.742 2.599 ( 1.608 0.322 1.232) 2.051 2.641 ( 2.120 -4.483 -0.465) 4.981 2.732 ( -1.541 -0.869 -0.278) 1.791 2.752 ( -0.514 0.175 0.136) 0.560 2.827 ( 0.642 -2.267 1.680) 2.894 2.849 ( 2.754 -3.225 -0.602) 4.283 2.909 ( -2.824 -2.799 -1.129) 4.133 2.940 ( 0.347 2.717 -0.167) 2.744 2.988 ( -1.470 0.178 -0.118) 1.485 3.128 ( 3.142 0.339 -1.857) 3.666 3.156 ( -1.823 1.966 1.667) 3.157 3.256 ( 0.419 -3.614 0.975) 3.766 3.291 ( -1.610 -2.552 -1.705) 3.466 3.331 ( -0.257 1.506 -0.052) 1.528 3.394 ( -0.115 2.659 0.075) 2.663 3.942 ( 0.036 4.579 0.247) 4.586 4.071 ( 0.242 14.769 0.142) 14.772 4.204 ( 0.228 4.700 -0.246) 4.712 4.211 ( -0.022 -4.674 0.411) 4.692 4.305 ( 1.044 9.322 0.229) 9.383 4.392 ( -0.160 -10.543 -0.448) 10.553 4.519 ( -0.597 -18.578 -0.107) 18.587 5.090 ( -0.923 9.667 0.878) 9.751 5.202 ( 0.620 2.597 -0.473) 2.712 5.764 ( 1.393 4.109 0.802) 4.412 5.804 ( -1.539 0.312 -1.603) 2.244 5.912 ( 0.263 -6.622 -0.018) 6.627 6.035 ( 0.284 -13.649 1.154) 13.701 6.916 ( 0.291 2.350 -0.035) 2.368 7.000 ( -0.580 -8.396 -0.116) 8.417 7.420 ( 0.539 5.779 0.523) 5.828 7.515 ( -0.726 -1.877 -0.221) 2.025 7.842 ( -1.690 8.073 -1.867) 8.457 7.983 ( 0.213 4.723 0.598) 4.766 8.445 ( -0.444 4.738 -0.839) 4.832 8.639 ( 1.615 -2.976 1.954) 3.909 9.388 ( 1.090 -0.761 4.349) 4.548 9.419 ( 1.209 -0.752 -3.139) 3.447 9.597 ( 0.494 2.161 -0.366) 2.246 9.732 ( -1.998 2.760 0.022) 3.407 9.755 ( 1.230 -4.108 -1.167) 4.445 9.808 ( -2.212 0.806 -1.643) 2.871 10.213 ( 0.854 4.231 4.456) 6.204 10.266 ( 3.711 3.198 0.069) 4.900 10.295 ( 1.711 10.998 -0.628) 11.148 10.401 ( -2.441 -13.767 -0.081) 13.982 10.694 ( 1.107 11.783 -3.434) 12.323 10.854 ( -3.817 -14.230 0.758) 14.753 12.560 ( -0.780 2.678 -0.439) 2.824 12.715 ( 0.827 -4.360 0.499) 4.465 12.826 ( -0.471 11.962 -0.600) 11.987 13.059 ( 2.774 -3.893 0.944) 4.873 13.108 ( -3.758 -4.345 0.586) 5.775 13.283 ( 5.269 3.348 -2.824) 6.851 13.319 ( -2.757 5.178 1.833) 6.146 13.421 ( -2.377 6.094 -1.121) 6.637 14.453 ( 0.337 4.960 1.714) 5.259 14.647 ( 0.983 -15.720 -0.515) 15.760 15.055 ( 0.914 -4.520 0.517) 4.640 15.117 ( 1.633 -1.367 4.197) 4.707 15.289 ( -4.273 3.193 -7.705) 9.371 15.684 ( 2.121 -4.438 2.750) 5.636 16.329 ( -0.824 4.287 -0.595) 4.406 16.608 ( 0.949 0.892 0.742) 1.499 ======================= Grid point 163 (82/88) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.000 0.181 0.000) 0.181 0.596 ( -0.000 11.103 0.000) 11.103 0.707 ( 0.000 -0.353 0.000) 0.353 1.054 ( -0.000 4.483 0.000) 4.483 1.091 ( 0.000 -0.416 0.000) 0.416 1.125 ( 0.000 -7.793 0.000) 7.793 1.158 ( -0.000 2.210 0.000) 2.210 1.411 ( 0.000 -1.197 0.000) 1.197 1.491 ( -0.000 6.934 0.000) 6.934 1.553 ( 0.000 -2.160 0.000) 2.160 1.626 ( 0.000 4.377 0.000) 4.377 1.645 ( 0.000 1.204 0.000) 1.204 1.738 ( 0.000 6.752 0.000) 6.752 1.773 ( 0.000 3.320 0.000) 3.320 1.842 ( -0.000 9.390 0.000) 9.390 1.887 ( 0.000 -0.001 0.000) 0.001 1.986 ( -0.000 -3.026 -0.000) 3.026 1.996 ( 0.000 0.572 0.000) 0.572 2.105 ( 0.000 0.483 0.000) 0.483 2.211 ( -0.000 1.834 0.000) 1.834 2.243 ( 0.000 -1.189 0.000) 1.189 2.287 ( 0.000 -7.218 0.000) 7.218 2.324 ( -0.000 -10.650 0.000) 10.650 2.489 ( 0.000 0.335 0.000) 0.335 2.527 ( -0.000 -1.976 0.000) 1.976 2.602 ( -0.000 -2.390 0.000) 2.390 2.621 ( 0.000 -5.837 0.000) 5.837 2.674 ( -0.000 5.775 0.000) 5.775 2.728 ( -0.000 0.432 0.000) 0.432 2.742 ( 0.000 -1.434 0.000) 1.434 2.853 ( -0.000 -0.001 0.000) 0.001 2.923 ( -0.000 -7.028 0.000) 7.028 2.928 ( -0.000 -2.591 0.000) 2.591 2.979 ( 0.000 -1.466 0.000) 1.466 3.007 ( -0.000 -2.760 0.000) 2.760 3.117 ( 0.000 -1.664 0.000) 1.664 3.155 ( 0.000 -0.086 -0.000) 0.086 3.255 ( 0.000 1.789 0.000) 1.789 3.281 ( -0.000 3.987 0.000) 3.987 3.377 ( -0.000 -4.404 0.000) 4.404 3.378 ( 0.000 -0.681 -0.000) 0.681 3.742 ( -0.000 15.570 0.000) 15.570 3.875 ( 0.000 4.900 0.000) 4.900 4.125 ( 0.000 5.928 0.000) 5.928 4.201 ( 0.000 2.759 0.000) 2.759 4.322 ( 0.000 -6.484 0.000) 6.484 4.558 ( -0.000 -7.848 0.000) 7.848 4.824 ( -0.000 -14.931 0.000) 14.931 4.881 ( -0.000 12.435 0.000) 12.435 5.046 ( 0.000 12.982 -0.000) 12.982 5.753 ( -0.000 -2.893 0.000) 2.893 5.843 ( 0.000 -4.129 0.000) 4.129 6.068 ( -0.000 -10.132 0.000) 10.132 6.309 ( -0.000 -14.818 0.000) 14.818 6.932 ( 0.000 -3.472 0.000) 3.472 7.161 ( 0.000 -9.527 0.000) 9.527 7.292 ( 0.000 8.068 0.000) 8.068 7.455 ( -0.000 8.741 0.000) 8.741 7.691 ( 0.000 7.989 0.000) 7.989 7.883 ( -0.000 6.211 0.000) 6.211 8.361 ( 0.000 2.642 0.000) 2.642 8.657 ( 0.000 2.082 0.000) 2.082 9.377 ( -0.000 6.721 0.000) 6.721 9.403 ( 0.000 -0.023 -0.000) 0.023 9.572 ( 0.000 0.675 0.000) 0.675 9.658 ( -0.000 2.841 0.000) 2.841 9.781 ( 0.000 0.267 0.000) 0.267 9.806 ( 0.000 2.397 0.000) 2.397 10.004 ( -0.000 16.780 -0.000) 16.780 10.131 ( 0.000 6.350 0.000) 6.350 10.197 ( 0.000 5.406 0.000) 5.406 10.633 ( 0.000 -2.623 0.000) 2.623 10.656 ( 0.000 -15.874 0.000) 15.874 11.080 ( -0.000 -12.021 0.000) 12.021 12.456 ( 0.000 12.457 0.000) 12.457 12.621 ( 0.000 6.049 0.000) 6.049 12.806 ( 0.000 -4.937 0.000) 4.937 13.004 ( -0.000 17.813 0.000) 17.813 13.107 ( 0.000 -1.321 0.000) 1.321 13.158 ( -0.000 4.055 0.000) 4.055 13.323 ( -0.000 0.062 0.000) 0.062 13.360 ( 0.000 -3.294 0.000) 3.294 14.457 ( 0.000 -2.929 0.000) 2.929 14.934 ( 0.000 -15.709 0.000) 15.709 15.065 ( 0.000 0.814 0.000) 0.814 15.175 ( 0.000 3.370 0.000) 3.370 15.317 ( -0.000 -13.695 0.000) 13.695 15.789 ( -0.000 -5.507 0.000) 5.507 16.186 ( 0.000 11.188 0.000) 11.188 16.552 ( 0.000 5.703 0.000) 5.703 ======================= Grid point 167 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 1.240 -0.000 -0.714) 1.431 0.469 ( -6.142 0.000 -6.432) 8.894 0.687 ( 0.373 -0.000 -7.400) 7.409 0.813 ( 4.130 -0.000 -0.714) 4.191 1.081 ( -0.734 0.000 0.280) 0.785 1.195 ( 1.642 -0.000 1.602) 2.294 1.314 ( 0.025 -0.000 0.877) 0.878 1.348 ( 1.678 -0.000 0.939) 1.923 1.421 ( 1.274 -0.000 -1.121) 1.697 1.545 ( -1.351 0.000 -2.078) 2.479 1.547 ( -0.045 0.000 -0.475) 0.478 1.613 ( 0.869 -0.000 -0.034) 0.869 1.623 ( 0.806 -0.000 -1.158) 1.411 1.757 ( 1.208 -0.000 0.400) 1.272 1.769 ( 3.812 -0.000 -0.115) 3.813 1.887 ( -3.476 0.000 -0.265) 3.486 1.934 ( -3.401 0.000 1.352) 3.660 1.964 ( -4.687 0.000 0.826) 4.759 2.105 ( -0.741 0.000 -0.450) 0.867 2.183 ( -0.805 0.000 0.859) 1.178 2.355 ( 1.810 -0.000 -3.439) 3.886 2.432 ( 3.018 -0.000 0.301) 3.033 2.484 ( 3.912 -0.000 1.418) 4.161 2.537 ( 0.706 -0.000 -0.299) 0.767 2.562 ( -2.540 0.000 5.549) 6.103 2.602 ( -0.780 0.000 0.408) 0.880 2.640 ( -1.902 0.000 1.443) 2.387 2.674 ( -1.441 0.000 0.019) 1.441 2.737 ( 0.790 -0.000 0.314) 0.850 2.880 ( -0.541 0.000 -0.004) 0.541 2.896 ( 1.228 -0.000 2.008) 2.354 2.912 ( 0.420 -0.000 0.063) 0.424 2.935 ( -4.388 0.000 0.251) 4.395 3.045 ( 1.296 -0.000 -0.159) 1.306 3.120 ( 4.456 -0.000 1.736) 4.783 3.230 ( 1.493 -0.000 0.727) 1.660 3.245 ( 4.755 -0.000 -0.007) 4.755 3.261 ( 0.713 -0.000 -1.166) 1.366 3.333 ( 0.275 -0.000 -0.842) 0.885 3.346 ( 0.580 -0.000 -1.374) 1.491 3.392 ( 3.477 -0.000 1.814) 3.922 3.569 ( 4.520 -0.000 0.902) 4.609 3.780 ( -2.753 0.000 0.265) 2.766 3.924 ( -2.034 0.000 -2.189) 2.988 4.137 ( -0.764 0.000 0.810) 1.114 4.408 ( -3.785 0.000 -0.217) 3.791 4.549 ( 2.267 -0.000 -3.577) 4.235 4.689 ( -3.453 0.000 2.959) 4.547 4.696 ( -1.997 0.000 0.060) 1.998 5.122 ( 0.715 -0.000 0.246) 0.756 5.879 ( 0.806 -0.000 0.342) 0.875 6.016 ( 3.182 -0.000 -1.539) 3.534 6.493 ( 6.252 -0.000 -6.030) 8.686 6.620 ( -3.639 0.000 10.350) 10.971 6.974 ( -2.129 0.000 -1.664) 2.702 7.104 ( -0.858 0.000 -1.104) 1.398 7.132 ( -1.307 0.000 -1.214) 1.783 7.276 ( -0.615 0.000 0.393) 0.730 7.487 ( 3.122 -0.000 2.259) 3.854 7.771 ( 0.711 -0.000 1.014) 1.239 8.466 ( -1.033 0.000 0.002) 1.033 8.566 ( 0.561 -0.000 -1.297) 1.413 8.883 ( -1.948 0.000 -7.689) 7.932 9.159 ( -10.106 0.000 -6.762) 12.159 9.536 ( 0.997 -0.000 2.663) 2.844 9.588 ( 0.315 -0.000 -0.064) 0.321 9.701 ( -0.811 0.000 0.044) 0.812 9.717 ( -2.502 0.000 1.630) 2.986 9.791 ( 0.007 -0.000 0.570) 0.570 9.960 ( 2.292 -0.000 2.560) 3.436 10.132 ( -1.057 0.000 -2.526) 2.738 10.714 ( -1.417 0.000 2.971) 3.291 11.132 ( 0.341 -0.000 -0.585) 0.677 11.416 ( 4.878 -0.000 -1.010) 4.981 12.012 ( 1.084 -0.000 0.405) 1.158 12.537 ( -0.816 0.000 0.474) 0.944 12.610 ( 0.883 -0.000 -0.342) 0.947 12.906 ( -1.993 0.000 -1.042) 2.249 12.923 ( -3.973 0.000 0.533) 4.009 13.329 ( 9.631 -0.000 2.609) 9.978 13.472 ( 1.188 -0.000 0.059) 1.190 13.542 ( 7.083 -0.000 0.074) 7.083 14.368 ( -4.952 0.000 -10.366) 11.488 14.779 ( -10.642 0.000 4.639) 11.609 15.193 ( 5.588 -0.000 4.359) 7.087 15.644 ( -1.117 0.000 4.621) 4.754 15.670 ( -0.216 0.000 0.526) 0.569 15.765 ( 0.894 -0.000 -0.485) 1.017 15.802 ( -0.031 0.000 1.984) 1.985 16.226 ( -6.246 0.000 -6.732) 9.183 ======================= Grid point 168 (84/88) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -0.882 -6.137 -0.801) 6.251 0.577 ( 0.287 -11.775 -2.706) 12.085 0.705 ( -2.330 -8.632 -5.895) 10.710 0.750 ( 3.037 7.435 0.319) 8.038 1.052 ( -1.343 2.756 -0.073) 3.067 1.260 ( 0.036 5.330 0.601) 5.364 1.290 ( 1.142 -2.995 0.697) 3.280 1.372 ( 2.060 -2.394 1.262) 3.401 1.425 ( -0.453 -0.403 -0.972) 1.145 1.535 ( -1.049 -0.866 -1.612) 2.109 1.577 ( -0.009 -2.767 -0.204) 2.774 1.632 ( 0.739 -2.853 0.125) 2.950 1.656 ( 0.890 -2.371 -1.266) 2.831 1.766 ( 0.937 -0.886 0.186) 1.303 1.816 ( 3.680 -0.671 -0.383) 3.761 1.883 ( -3.100 -2.512 -0.300) 4.002 1.919 ( -1.483 -2.048 0.842) 2.665 1.957 ( -3.158 -3.185 0.710) 4.541 2.111 ( -1.284 -0.999 -0.466) 1.692 2.189 ( -0.384 -0.428 0.850) 1.027 2.332 ( 2.455 2.647 -1.501) 3.910 2.397 ( -0.537 4.382 0.307) 4.426 2.514 ( 2.070 2.767 1.156) 3.644 2.531 ( 2.965 -0.428 0.123) 2.999 2.541 ( -0.314 3.726 1.689) 4.103 2.584 ( -1.899 3.991 2.643) 5.150 2.607 ( -0.152 4.268 0.125) 4.273 2.646 ( -0.039 -0.171 -0.523) 0.552 2.697 ( -1.774 0.579 0.769) 2.018 2.791 ( -0.682 4.875 -0.089) 4.923 2.897 ( -0.091 0.417 -1.620) 1.676 2.913 ( -0.517 1.758 1.173) 2.176 2.979 ( -1.950 -1.212 1.350) 2.663 3.075 ( 0.504 0.069 0.290) 0.586 3.135 ( 3.590 4.974 -0.112) 6.136 3.202 ( 0.980 2.266 1.658) 2.974 3.236 ( 2.075 0.696 -0.127) 2.192 3.248 ( 3.149 2.678 -1.262) 4.322 3.342 ( 1.206 0.077 0.649) 1.372 3.357 ( -1.436 -1.870 -0.107) 2.360 3.451 ( 0.862 -4.717 -0.087) 4.796 3.575 ( 1.295 3.345 1.008) 3.726 3.786 ( -0.067 -4.023 -0.686) 4.081 3.949 ( -2.179 -5.101 -1.296) 5.697 4.145 ( -0.581 -0.939 0.648) 1.280 4.343 ( -2.448 3.429 -1.040) 4.340 4.618 ( -0.020 -1.266 -0.596) 1.399 4.690 ( 2.132 -6.309 -4.634) 8.114 4.773 ( -4.441 -10.342 5.018) 12.324 5.056 ( 0.654 8.081 0.249) 8.111 5.844 ( 0.504 4.371 0.461) 4.424 5.988 ( 2.718 4.586 -0.895) 5.406 6.348 ( 2.511 16.726 -2.813) 17.145 6.438 ( -3.329 10.928 1.151) 11.482 6.916 ( -2.109 3.177 -1.539) 4.112 7.150 ( 0.469 -6.050 -0.890) 6.133 7.219 ( -1.764 -7.112 -0.982) 7.393 7.437 ( 1.878 7.177 1.026) 7.489 7.672 ( 3.368 -29.968 8.531) 31.340 7.836 ( 0.995 -5.527 0.691) 5.658 8.442 ( 2.249 8.673 -0.147) 8.961 8.479 ( -1.056 -1.720 -1.599) 2.575 9.028 ( -6.328 -10.871 -11.419) 16.989 9.095 ( -4.267 -10.015 1.710) 11.020 9.588 ( -0.617 -0.520 -0.757) 1.106 9.621 ( 1.063 -4.645 1.429) 4.975 9.679 ( -2.065 0.737 -0.664) 2.291 9.781 ( 0.213 -8.378 0.282) 8.386 9.797 ( -0.843 -0.968 1.363) 1.872 10.022 ( 0.879 -3.256 4.200) 5.386 10.108 ( -0.660 0.615 -2.272) 2.445 10.685 ( -1.319 3.155 2.218) 4.076 10.997 ( 0.972 12.586 -0.229) 12.626 11.387 ( 3.814 6.432 -1.368) 7.602 12.196 ( 0.420 -16.868 0.250) 16.875 12.610 ( 0.473 -0.651 0.817) 1.147 12.632 ( -0.907 -9.164 -0.841) 9.247 12.802 ( -2.832 5.062 -0.832) 5.859 12.976 ( -2.473 -4.549 0.446) 5.197 13.412 ( 6.520 0.158 3.912) 7.605 13.471 ( 1.286 0.977 0.271) 1.638 13.578 ( 7.218 2.014 0.725) 7.528 14.271 ( -4.976 0.881 -9.862) 11.081 14.753 ( -7.676 -3.320 3.246) 8.971 15.244 ( 6.705 3.550 6.686) 10.112 15.393 ( 0.582 17.893 1.692) 17.982 15.632 ( -7.817 5.387 -4.686) 10.587 15.671 ( 2.377 5.875 2.050) 6.661 16.031 ( 2.671 -12.932 2.338) 13.411 16.245 ( -4.598 -9.515 -5.576) 11.948 ======================= Grid point 169 (85/88) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -0.919 -9.029 -0.577) 9.094 0.669 ( 1.267 2.113 -0.474) 2.509 0.706 ( 2.022 -5.287 -0.692) 5.703 0.917 ( -2.184 -6.066 -0.603) 6.476 0.980 ( -1.006 -0.483 -0.229) 1.139 1.166 ( -0.642 1.581 -0.178) 1.715 1.255 ( 1.113 5.278 -0.027) 5.394 1.392 ( -0.351 0.847 -0.013) 0.917 1.522 ( 0.447 -6.051 2.000) 6.389 1.545 ( -0.307 -2.463 -2.024) 3.203 1.607 ( 0.115 -0.093 0.303) 0.337 1.682 ( 0.645 -1.630 -0.670) 1.877 1.718 ( -0.214 -3.296 -0.196) 3.309 1.809 ( -0.705 -0.701 -0.245) 1.024 1.831 ( 2.384 -3.914 0.217) 4.588 1.930 ( -3.627 -5.906 0.201) 6.934 1.986 ( 0.857 -3.671 0.143) 3.772 2.071 ( 1.760 -7.711 -0.246) 7.913 2.108 ( -0.192 -0.102 -0.659) 0.694 2.169 ( -0.270 2.197 0.882) 2.383 2.263 ( 0.225 6.941 0.004) 6.944 2.373 ( 0.705 -1.611 1.033) 2.040 2.411 ( 1.383 7.849 -0.866) 8.016 2.433 ( -1.803 5.453 -0.018) 5.743 2.496 ( -0.160 5.635 1.199) 5.763 2.544 ( 2.036 2.023 -0.079) 2.871 2.591 ( -0.669 3.021 0.179) 3.099 2.611 ( -0.854 0.449 1.120) 1.478 2.703 ( 0.176 -1.863 -0.462) 1.928 2.738 ( -1.534 -0.109 -0.473) 1.609 2.850 ( -0.728 3.689 0.188) 3.765 2.859 ( -0.011 3.588 -0.913) 3.703 2.965 ( -0.038 2.435 0.822) 2.571 2.990 ( 0.872 6.744 -0.837) 6.851 3.072 ( -0.548 2.003 0.449) 2.124 3.156 ( 0.170 3.632 0.316) 3.649 3.218 ( 3.556 4.016 -0.210) 5.369 3.248 ( -0.135 -0.126 -0.017) 0.185 3.322 ( -2.388 2.768 0.242) 3.664 3.362 ( 0.679 -0.111 0.437) 0.814 3.469 ( -0.123 0.619 0.469) 0.786 3.723 ( -0.184 -17.422 -0.276) 17.425 3.892 ( 1.909 -5.868 -0.387) 6.182 4.047 ( -2.109 -8.381 -0.527) 8.658 4.165 ( -0.123 -1.654 0.263) 1.679 4.261 ( -0.480 4.094 -0.569) 4.161 4.546 ( -0.495 6.238 0.380) 6.269 4.845 ( 0.266 12.565 -0.017) 12.568 4.920 ( 3.654 -11.645 -4.801) 13.115 4.990 ( -3.810 -13.944 4.633) 15.179 5.757 ( 0.078 5.147 0.509) 5.173 5.909 ( 1.036 5.040 -0.392) 5.160 6.080 ( -0.002 12.162 -0.371) 12.168 6.211 ( -0.593 13.172 -1.011) 13.224 6.857 ( -0.933 0.853 -0.615) 1.406 7.202 ( -0.050 9.642 0.062) 9.642 7.284 ( 0.599 -7.775 -0.531) 7.816 7.406 ( -0.632 -5.524 -0.428) 5.577 7.941 ( 0.810 -3.980 0.024) 4.061 8.118 ( 4.231 -5.836 5.584) 9.118 8.374 ( 0.365 -4.736 -0.129) 4.752 8.494 ( -1.026 -1.300 -1.266) 2.084 9.117 ( -2.533 -11.038 -2.017) 11.503 9.339 ( -0.941 -10.202 -0.278) 10.249 9.614 ( -0.480 0.866 0.952) 1.374 9.637 ( -1.137 -6.852 -1.852) 7.188 9.735 ( 0.819 -4.139 -0.837) 4.302 9.770 ( -2.247 1.405 0.549) 2.707 10.012 ( 2.763 -13.494 -1.175) 13.824 10.091 ( -0.212 -0.440 -0.743) 0.889 10.112 ( -2.500 -5.492 4.580) 7.576 10.619 ( -1.281 3.002 1.096) 3.443 10.771 ( 1.073 13.231 0.150) 13.276 11.238 ( 2.101 12.446 -1.420) 12.702 12.531 ( 0.439 -18.903 0.340) 18.911 12.624 ( 0.650 -1.297 0.285) 1.479 12.691 ( -2.065 4.338 -0.858) 4.880 12.815 ( -0.856 -10.113 -0.722) 10.175 13.037 ( -1.632 -3.800 0.719) 4.197 13.413 ( 1.707 5.078 1.175) 5.484 13.468 ( 1.459 0.531 0.075) 1.555 13.587 ( 3.727 3.814 2.561) 5.916 14.234 ( -1.705 -5.047 -4.805) 7.174 14.799 ( -3.692 -5.382 1.735) 6.753 15.016 ( 0.726 21.542 0.697) 21.566 15.261 ( 4.345 5.322 4.848) 8.409 15.447 ( -5.556 5.053 -7.085) 10.325 15.628 ( 1.865 1.972 2.105) 3.435 16.237 ( 0.169 -8.305 -0.058) 8.307 16.406 ( -1.062 -11.368 -0.962) 11.457 ======================= Grid point 170 (86/88) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.000 -6.963 -0.000) 6.963 0.689 ( 0.000 -3.423 0.000) 3.423 0.801 ( -0.000 9.260 0.000) 9.260 0.832 ( -0.000 -7.678 0.000) 7.678 0.967 ( -0.000 2.846 0.000) 2.846 1.152 ( -0.000 6.388 0.000) 6.388 1.280 ( -0.000 -7.844 0.000) 7.844 1.385 ( -0.000 0.062 0.000) 0.062 1.540 ( -0.000 0.722 0.000) 0.722 1.589 ( -0.000 1.449 0.000) 1.449 1.649 ( -0.000 -5.883 0.000) 5.883 1.689 ( -0.000 1.148 0.000) 1.148 1.774 ( -0.000 -4.807 0.000) 4.807 1.824 ( -0.000 -0.894 0.000) 0.894 1.952 ( -0.000 -7.812 0.000) 7.812 1.975 ( 0.000 1.558 -0.000) 1.558 2.030 ( -0.000 3.942 0.000) 3.942 2.086 ( -0.000 2.379 0.000) 2.379 2.095 ( 0.000 0.960 -0.000) 0.960 2.158 ( -0.000 0.472 0.000) 0.472 2.199 ( -0.000 2.769 0.000) 2.769 2.311 ( -0.000 5.211 0.000) 5.211 2.316 ( 0.000 -0.740 -0.000) 0.740 2.409 ( -0.000 0.808 0.000) 0.808 2.482 ( -0.000 5.389 0.000) 5.389 2.490 ( -0.000 2.768 0.000) 2.768 2.518 ( -0.000 -7.614 0.000) 7.614 2.634 ( -0.000 0.421 -0.000) 0.421 2.724 ( -0.000 0.514 0.000) 0.514 2.742 ( 0.000 -1.110 0.000) 1.110 2.808 ( 0.000 0.405 -0.000) 0.405 2.818 ( -0.000 -0.577 0.000) 0.577 2.872 ( -0.000 2.005 0.000) 2.005 2.977 ( -0.000 -0.577 0.000) 0.577 3.023 ( -0.000 4.412 0.000) 4.412 3.142 ( -0.000 -2.596 0.000) 2.596 3.165 ( -0.000 2.822 0.000) 2.822 3.249 ( -0.000 3.706 0.000) 3.706 3.254 ( 0.000 -0.952 -0.000) 0.952 3.357 ( -0.000 1.197 0.000) 1.197 3.451 ( -0.000 2.371 0.000) 2.371 3.972 ( -0.000 -1.654 0.000) 1.654 4.045 ( -0.000 -16.007 0.000) 16.007 4.187 ( -0.000 3.816 0.000) 3.816 4.219 ( -0.000 -10.510 0.000) 10.510 4.224 ( -0.000 -8.432 0.000) 8.432 4.404 ( -0.000 10.088 0.000) 10.088 4.550 ( -0.000 17.689 0.000) 17.689 5.134 ( -0.000 -9.143 0.000) 9.143 5.165 ( 0.000 -3.242 -0.000) 3.242 5.723 ( -0.000 -2.996 -0.000) 2.996 5.856 ( -0.000 0.429 0.000) 0.429 5.940 ( -0.000 3.019 0.000) 3.019 5.968 ( -0.000 13.286 0.000) 13.286 6.882 ( -0.000 -4.294 -0.000) 4.294 7.019 ( -0.000 8.949 0.000) 8.949 7.420 ( -0.000 -6.896 0.000) 6.896 7.474 ( -0.000 -0.898 0.000) 0.898 7.951 ( -0.000 3.512 0.000) 3.512 8.077 ( -0.000 5.852 0.000) 5.852 8.493 ( -0.000 1.085 -0.000) 1.085 8.546 ( -0.000 -8.716 0.000) 8.716 9.306 ( -0.000 -9.615 0.000) 9.615 9.404 ( -0.000 -0.515 -0.000) 0.515 9.618 ( -0.000 -1.360 0.000) 1.360 9.709 ( -0.000 1.832 0.000) 1.832 9.738 ( -0.000 -2.069 0.000) 2.069 9.816 ( -0.000 -1.369 0.000) 1.369 10.156 ( -0.000 -9.407 0.000) 9.407 10.212 ( 0.000 -6.219 -0.000) 6.219 10.233 ( -0.000 -6.439 0.000) 6.439 10.544 ( -0.000 13.346 0.000) 13.346 10.629 ( -0.000 -6.885 0.000) 6.885 10.976 ( -0.000 17.099 0.000) 17.099 12.608 ( -0.000 3.485 0.000) 3.485 12.655 ( -0.000 -2.672 0.000) 2.672 12.859 ( -0.000 -16.091 0.000) 16.091 12.925 ( -0.000 -1.516 0.000) 1.516 13.078 ( -0.000 -0.884 0.000) 0.884 13.319 ( -0.000 4.387 0.000) 4.387 13.442 ( -0.000 4.572 0.000) 4.572 13.514 ( -0.000 5.138 0.000) 5.138 14.390 ( -0.000 -13.004 0.000) 13.004 14.654 ( -0.000 16.699 0.000) 16.699 14.919 ( -0.000 -7.651 0.000) 7.651 15.192 ( -0.000 5.141 0.000) 5.141 15.329 ( -0.000 4.307 0.000) 4.307 15.641 ( -0.000 -1.812 0.000) 1.812 16.335 ( -0.000 -2.832 0.000) 2.832 16.565 ( -0.000 -6.263 0.000) 6.263 ======================= Grid point 176 (87/88) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -3.168 0.000 -3.327) 4.594 0.348 ( -0.343 0.000 0.570) 0.665 0.633 ( -0.332 0.000 -3.926) 3.940 0.870 ( 2.637 -0.000 -0.129) 2.640 1.074 ( -0.316 0.000 0.105) 0.334 1.223 ( 0.697 -0.000 0.470) 0.841 1.320 ( -0.011 0.000 0.411) 0.411 1.375 ( 0.735 -0.000 0.545) 0.915 1.425 ( 0.211 -0.000 -0.435) 0.484 1.511 ( -0.678 0.000 -1.283) 1.451 1.543 ( -0.036 0.000 -0.250) 0.252 1.623 ( 0.379 -0.000 -0.013) 0.379 1.626 ( 0.396 -0.000 -0.451) 0.600 1.772 ( 0.379 -0.000 0.021) 0.379 1.824 ( 3.726 -0.000 -0.922) 3.838 1.844 ( -1.466 0.000 0.005) 1.466 1.883 ( -3.263 0.000 0.134) 3.266 1.912 ( -2.909 0.000 1.321) 3.195 2.089 ( -0.509 0.000 -0.418) 0.659 2.180 ( -0.318 0.000 0.468) 0.565 2.356 ( 1.099 -0.000 -1.565) 1.912 2.479 ( 1.938 -0.000 0.500) 2.001 2.522 ( -1.406 0.000 0.451) 1.477 2.546 ( 2.201 -0.000 0.333) 2.226 2.585 ( -0.051 0.000 0.929) 0.930 2.607 ( 0.630 -0.000 2.306) 2.391 2.622 ( -1.235 0.000 0.582) 1.365 2.661 ( -0.729 0.000 -0.187) 0.753 2.751 ( 0.187 -0.000 0.877) 0.897 2.872 ( -0.659 0.000 -1.085) 1.270 2.882 ( -1.700 0.000 0.662) 1.824 2.912 ( 0.059 -0.000 0.046) 0.075 2.921 ( 0.350 -0.000 0.480) 0.595 3.060 ( 0.583 -0.000 -0.085) 0.589 3.203 ( 3.119 -0.000 0.974) 3.268 3.252 ( 1.276 -0.000 1.741) 2.159 3.258 ( 0.374 -0.000 -0.787) 0.872 3.300 ( 1.915 -0.000 0.005) 1.915 3.309 ( -2.235 0.000 -1.705) 2.811 3.342 ( 0.172 -0.000 -0.713) 0.734 3.413 ( -0.148 0.000 0.138) 0.202 3.685 ( 5.886 -0.000 1.296) 6.027 3.742 ( -2.626 0.000 0.764) 2.735 3.885 ( -0.844 0.000 -1.002) 1.311 4.134 ( -0.324 0.000 0.375) 0.495 4.351 ( -2.218 0.000 -0.649) 2.311 4.553 ( 1.030 -0.000 -1.711) 1.997 4.667 ( -1.616 0.000 1.506) 2.209 4.672 ( -0.938 0.000 0.030) 0.938 5.133 ( 0.383 -0.000 0.116) 0.401 5.892 ( 0.404 -0.000 0.163) 0.435 6.048 ( 1.614 -0.000 -0.542) 1.703 6.508 ( 2.028 -0.000 -3.501) 4.046 6.639 ( -2.691 0.000 5.275) 5.922 6.937 ( -0.982 0.000 -0.771) 1.249 7.084 ( -0.241 0.000 -1.012) 1.041 7.109 ( -0.544 0.000 -0.485) 0.728 7.271 ( -0.283 0.000 0.177) 0.334 7.552 ( 1.749 -0.000 2.103) 2.735 7.785 ( 0.275 -0.000 0.348) 0.443 8.457 ( -0.297 0.000 0.223) 0.371 8.562 ( 0.173 -0.000 -0.666) 0.688 8.827 ( 2.969 -0.000 -7.282) 7.864 8.975 ( -7.480 0.000 -0.737) 7.517 9.561 ( 0.209 -0.000 0.985) 1.007 9.595 ( 0.462 -0.000 -0.025) 0.462 9.685 ( -1.571 0.000 0.245) 1.590 9.695 ( -0.151 0.000 0.193) 0.245 9.795 ( 0.010 -0.000 0.230) 0.230 10.022 ( 1.122 -0.000 3.880) 4.039 10.096 ( -0.538 0.000 -2.760) 2.812 10.716 ( -0.509 0.000 1.122) 1.232 11.130 ( 0.038 -0.000 -0.298) 0.301 11.463 ( 1.924 -0.000 -0.705) 2.049 12.027 ( 0.411 -0.000 0.141) 0.435 12.531 ( -0.298 0.000 0.180) 0.348 12.618 ( 0.355 -0.000 -0.112) 0.372 12.873 ( -2.025 0.000 0.032) 2.025 12.876 ( -0.845 0.000 -0.442) 0.953 13.472 ( 3.609 -0.000 3.094) 4.754 13.486 ( 0.492 -0.000 0.012) 0.493 13.647 ( 5.509 -0.000 0.071) 5.509 14.204 ( -4.390 0.000 -6.793) 8.088 14.686 ( -4.155 0.000 1.768) 4.515 15.367 ( 8.964 -0.000 7.485) 11.678 15.555 ( -8.645 0.000 -2.850) 9.103 15.673 ( 0.051 -0.000 0.316) 0.320 15.770 ( 0.255 -0.000 -0.294) 0.389 15.904 ( 5.020 -0.000 7.616) 9.122 16.059 ( -5.696 0.000 -9.406) 10.996 ======================= Grid point 177 (88/88) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -0.000 -5.260 0.000) 5.260 0.583 ( -0.000 -21.336 0.000) 21.336 0.640 ( -0.000 -2.201 -0.000) 2.201 0.782 ( -0.000 7.933 0.000) 7.933 1.040 ( -0.000 3.375 0.000) 3.375 1.263 ( -0.000 5.957 0.000) 5.957 1.302 ( -0.000 -2.898 0.000) 2.898 1.392 ( -0.000 -1.469 0.000) 1.469 1.422 ( -0.000 -1.617 0.000) 1.617 1.517 ( -0.000 -0.850 0.000) 0.850 1.576 ( -0.000 -3.042 0.000) 3.042 1.638 ( -0.000 -3.371 0.000) 3.371 1.660 ( -0.000 -1.803 0.000) 1.803 1.778 ( -0.000 -2.321 0.000) 2.321 1.833 ( -0.000 0.815 0.000) 0.815 1.866 ( 0.000 1.474 0.000) 1.474 1.915 ( -0.000 -4.396 0.000) 4.396 1.923 ( -0.000 -6.930 0.000) 6.930 2.097 ( -0.000 -0.768 0.000) 0.768 2.189 ( -0.000 -0.681 0.000) 0.681 2.349 ( -0.000 1.871 0.000) 1.871 2.391 ( -0.000 4.862 0.000) 4.862 2.535 ( -0.000 5.442 -0.000) 5.442 2.550 ( 0.000 0.854 0.000) 0.854 2.577 ( -0.000 -0.458 0.000) 0.458 2.578 ( -0.000 4.760 -0.000) 4.760 2.598 ( -0.000 5.541 0.000) 5.541 2.636 ( -0.000 -3.478 0.000) 3.478 2.686 ( -0.000 4.215 0.000) 4.215 2.785 ( -0.000 5.271 0.000) 5.271 2.886 ( 0.000 -0.958 -0.000) 0.958 2.914 ( -0.000 2.611 0.000) 2.611 2.968 ( -0.000 -1.319 0.000) 1.319 3.081 ( -0.000 0.374 0.000) 0.374 3.164 ( -0.000 7.882 0.000) 7.882 3.225 ( -0.000 3.268 0.000) 3.268 3.235 ( -0.000 -1.411 -0.000) 1.411 3.289 ( -0.000 0.119 0.000) 0.119 3.337 ( -0.000 -0.052 0.000) 0.052 3.351 ( -0.000 -1.128 0.000) 1.128 3.453 ( -0.000 -5.314 0.000) 5.314 3.595 ( -0.000 8.646 0.000) 8.646 3.786 ( -0.000 -6.192 0.000) 6.192 3.922 ( -0.000 -4.543 0.000) 4.543 4.143 ( -0.000 -0.937 0.000) 0.937 4.317 ( -0.000 2.544 0.000) 2.544 4.614 ( -0.000 -0.165 0.000) 0.165 4.689 ( -0.000 -8.034 0.000) 8.034 4.757 ( 0.000 -10.107 -0.000) 10.107 5.063 ( -0.000 8.067 0.000) 8.067 5.851 ( -0.000 4.390 0.000) 4.390 6.008 ( -0.000 4.666 -0.000) 4.666 6.353 ( 0.000 18.922 -0.000) 18.922 6.414 ( -0.000 9.674 0.000) 9.674 6.891 ( -0.000 3.160 0.000) 3.160 7.152 ( -0.000 -6.643 0.000) 6.643 7.198 ( -0.000 -6.495 0.000) 6.495 7.454 ( -0.000 6.291 0.000) 6.291 7.744 ( -0.000 -32.260 0.000) 32.260 7.847 ( -0.000 -5.820 0.000) 5.820 8.464 ( -0.000 -0.920 0.000) 0.920 8.470 ( 0.000 8.599 -0.000) 8.599 8.908 ( -0.000 -8.742 0.000) 8.742 9.072 ( 0.000 -13.921 -0.000) 13.921 9.578 ( -0.000 0.213 0.000) 0.213 9.640 ( 0.000 -5.858 0.000) 5.858 9.654 ( -0.000 2.429 -0.000) 2.429 9.789 ( -0.000 -10.204 0.000) 10.204 9.794 ( 0.000 0.627 -0.000) 0.627 10.052 ( -0.000 -1.941 0.000) 1.941 10.088 ( -0.000 -0.077 0.000) 0.077 10.684 ( -0.000 3.442 0.000) 3.442 11.003 ( -0.000 11.879 0.000) 11.879 11.411 ( -0.000 6.466 0.000) 6.466 12.200 ( -0.000 -16.706 0.000) 16.706 12.620 ( -0.000 -9.266 0.000) 9.266 12.620 ( 0.000 -0.129 -0.000) 0.129 12.773 ( -0.000 5.286 0.000) 5.286 12.957 ( -0.000 -4.666 0.000) 4.666 13.481 ( -0.000 0.577 0.000) 0.577 13.481 ( 0.000 1.550 -0.000) 1.550 13.662 ( -0.000 1.400 0.000) 1.400 14.167 ( -0.000 -0.321 0.000) 0.321 14.703 ( -0.000 -3.336 0.000) 3.336 15.399 ( -0.000 11.619 0.000) 11.619 15.436 ( -0.000 15.323 0.000) 15.323 15.448 ( -0.000 1.934 0.000) 1.934 15.703 ( -0.000 4.973 0.000) 4.973 16.083 ( -0.000 -8.859 -0.000) 8.859 16.162 ( -0.000 -14.180 0.000) 14.180 =================== 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 3/26460 10.0 4.532 18.203 5.464 0.000 -0.650 -0.000 3/26460 20.0 1.970 8.928 2.367 0.000 -0.304 -0.000 3/26460 30.0 1.201 5.452 1.417 0.000 -0.194 -0.000 3/26460 40.0 0.855 3.930 0.993 0.000 -0.140 -0.000 3/26460 50.0 0.664 3.119 0.767 0.000 -0.112 -0.000 3/26460 60.0 0.545 2.612 0.629 0.000 -0.094 -0.000 3/26460 70.0 0.464 2.258 0.537 0.000 -0.083 -0.000 3/26460 80.0 0.405 1.995 0.471 0.000 -0.074 -0.000 3/26460 90.0 0.361 1.790 0.423 0.000 -0.068 -0.000 3/26460 100.0 0.326 1.626 0.385 0.000 -0.063 -0.000 3/26460 110.0 0.299 1.491 0.355 0.000 -0.058 -0.000 3/26460 120.0 0.276 1.378 0.330 0.000 -0.054 -0.000 3/26460 130.0 0.257 1.282 0.309 0.000 -0.051 -0.000 3/26460 140.0 0.241 1.199 0.292 0.000 -0.048 -0.000 3/26460 150.0 0.227 1.127 0.276 0.000 -0.045 -0.000 3/26460 160.0 0.215 1.063 0.263 0.000 -0.042 -0.000 3/26460 170.0 0.204 1.007 0.251 0.000 -0.040 -0.000 3/26460 180.0 0.195 0.956 0.240 0.000 -0.038 -0.000 3/26460 190.0 0.186 0.911 0.231 0.000 -0.036 -0.000 3/26460 200.0 0.178 0.869 0.222 0.000 -0.035 -0.000 3/26460 210.0 0.171 0.832 0.213 0.000 -0.033 -0.000 3/26460 220.0 0.164 0.797 0.206 0.000 -0.032 -0.000 3/26460 230.0 0.158 0.765 0.199 0.000 -0.030 -0.000 3/26460 240.0 0.152 0.736 0.192 0.000 -0.029 -0.000 3/26460 250.0 0.147 0.709 0.186 0.000 -0.028 -0.000 3/26460 260.0 0.142 0.684 0.180 0.000 -0.027 -0.000 3/26460 270.0 0.138 0.660 0.175 0.000 -0.026 -0.000 3/26460 280.0 0.133 0.639 0.169 0.000 -0.025 -0.000 3/26460 290.0 0.129 0.618 0.165 0.000 -0.024 -0.000 3/26460 300.0 0.125 0.599 0.160 0.000 -0.023 -0.000 3/26460 310.0 0.122 0.581 0.156 0.000 -0.023 -0.000 3/26460 320.0 0.118 0.564 0.151 0.000 -0.022 -0.000 3/26460 330.0 0.115 0.548 0.148 0.000 -0.021 -0.000 3/26460 340.0 0.112 0.532 0.144 0.000 -0.021 -0.000 3/26460 350.0 0.109 0.518 0.140 0.000 -0.020 -0.000 3/26460 360.0 0.106 0.504 0.137 0.000 -0.020 -0.000 3/26460 370.0 0.104 0.491 0.134 0.000 -0.019 -0.000 3/26460 380.0 0.101 0.479 0.130 0.000 -0.019 -0.000 3/26460 390.0 0.099 0.467 0.128 0.000 -0.018 -0.000 3/26460 400.0 0.097 0.456 0.125 0.000 -0.018 -0.000 3/26460 410.0 0.094 0.445 0.122 0.000 -0.017 -0.000 3/26460 420.0 0.092 0.435 0.119 0.000 -0.017 -0.000 3/26460 430.0 0.090 0.426 0.117 0.000 -0.016 -0.000 3/26460 440.0 0.088 0.416 0.114 0.000 -0.016 -0.000 3/26460 450.0 0.087 0.407 0.112 0.000 -0.016 -0.000 3/26460 460.0 0.085 0.399 0.110 0.000 -0.015 -0.000 3/26460 470.0 0.083 0.391 0.108 0.000 -0.015 -0.000 3/26460 480.0 0.081 0.383 0.106 0.000 -0.015 -0.000 3/26460 490.0 0.080 0.375 0.104 0.000 -0.014 -0.000 3/26460 500.0 0.078 0.368 0.102 0.000 -0.014 -0.000 3/26460 510.0 0.077 0.361 0.100 0.000 -0.014 -0.000 3/26460 520.0 0.076 0.354 0.098 0.000 -0.014 -0.000 3/26460 530.0 0.074 0.348 0.096 0.000 -0.013 -0.000 3/26460 540.0 0.073 0.341 0.095 0.000 -0.013 -0.000 3/26460 550.0 0.072 0.335 0.093 0.000 -0.013 -0.000 3/26460 560.0 0.070 0.330 0.092 0.000 -0.013 -0.000 3/26460 570.0 0.069 0.324 0.090 0.000 -0.012 -0.000 3/26460 580.0 0.068 0.318 0.089 0.000 -0.012 -0.000 3/26460 590.0 0.067 0.313 0.087 0.000 -0.012 -0.000 3/26460 600.0 0.066 0.308 0.086 0.000 -0.012 -0.000 3/26460 610.0 0.065 0.303 0.084 0.000 -0.012 -0.000 3/26460 620.0 0.064 0.298 0.083 0.000 -0.011 -0.000 3/26460 630.0 0.063 0.294 0.082 0.000 -0.011 -0.000 3/26460 640.0 0.062 0.289 0.081 0.000 -0.011 -0.000 3/26460 650.0 0.061 0.285 0.080 0.000 -0.011 -0.000 3/26460 660.0 0.060 0.281 0.078 0.000 -0.011 -0.000 3/26460 670.0 0.059 0.277 0.077 0.000 -0.011 -0.000 3/26460 680.0 0.058 0.273 0.076 0.000 -0.010 -0.000 3/26460 690.0 0.058 0.269 0.075 0.000 -0.010 -0.000 3/26460 700.0 0.057 0.265 0.074 0.000 -0.010 -0.000 3/26460 710.0 0.056 0.261 0.073 0.000 -0.010 -0.000 3/26460 720.0 0.055 0.258 0.072 0.000 -0.010 -0.000 3/26460 730.0 0.055 0.254 0.071 0.000 -0.010 -0.000 3/26460 740.0 0.054 0.251 0.070 0.000 -0.010 -0.000 3/26460 750.0 0.053 0.248 0.069 0.000 -0.009 -0.000 3/26460 760.0 0.052 0.244 0.068 0.000 -0.009 -0.000 3/26460 770.0 0.052 0.241 0.068 0.000 -0.009 -0.000 3/26460 780.0 0.051 0.238 0.067 0.000 -0.009 -0.000 3/26460 790.0 0.050 0.235 0.066 0.000 -0.009 -0.000 3/26460 800.0 0.050 0.232 0.065 0.000 -0.009 -0.000 3/26460 810.0 0.049 0.229 0.064 0.000 -0.009 -0.000 3/26460 820.0 0.049 0.227 0.064 0.000 -0.009 -0.000 3/26460 830.0 0.048 0.224 0.063 0.000 -0.009 -0.000 3/26460 840.0 0.048 0.221 0.062 0.000 -0.008 -0.000 3/26460 850.0 0.047 0.219 0.061 0.000 -0.008 -0.000 3/26460 860.0 0.046 0.216 0.061 0.000 -0.008 -0.000 3/26460 870.0 0.046 0.214 0.060 0.000 -0.008 -0.000 3/26460 880.0 0.045 0.211 0.059 0.000 -0.008 -0.000 3/26460 890.0 0.045 0.209 0.059 0.000 -0.008 -0.000 3/26460 900.0 0.044 0.207 0.058 0.000 -0.008 -0.000 3/26460 910.0 0.044 0.204 0.057 0.000 -0.008 -0.000 3/26460 920.0 0.043 0.202 0.057 0.000 -0.008 -0.000 3/26460 930.0 0.043 0.200 0.056 0.000 -0.008 -0.000 3/26460 940.0 0.043 0.198 0.056 0.000 -0.008 -0.000 3/26460 950.0 0.042 0.196 0.055 0.000 -0.007 -0.000 3/26460 960.0 0.042 0.194 0.055 0.000 -0.007 -0.000 3/26460 970.0 0.041 0.192 0.054 0.000 -0.007 -0.000 3/26460 980.0 0.041 0.190 0.053 0.000 -0.007 -0.000 3/26460 990.0 0.040 0.188 0.053 0.000 -0.007 -0.000 3/26460 1000.0 0.040 0.186 0.052 0.000 -0.007 -0.000 3/26460 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:50:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|