----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:10:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.316420980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): *1 Tb 0.49064074128956 0.42402030971912 0.13381604522237 158.925 *2 Tb 0.02861948049303 0.75000000000000 0.85768649905214 158.925 3 Tb 0.99064074128956 0.07597969028088 0.36618395477763 158.925 4 Tb 0.97138051950697 0.25000000000000 0.14231350094786 158.925 5 Tb 0.47138051950697 0.25000000000000 0.35768649905214 158.925 6 Tb 0.52861948049303 0.75000000000000 0.64231350094786 158.925 7 Tb 0.50935925871044 0.92402030971912 0.86618395477763 158.925 8 Tb 0.00935925871044 0.92402030971912 0.63381604522237 158.925 9 Tb 0.50935925871044 0.57597969028088 0.86618395477763 158.925 10 Tb 0.99064074128956 0.42402030971912 0.36618395477763 158.925 11 Tb 0.00935925871044 0.57597969028088 0.63381604522237 158.925 12 Tb 0.49064074128956 0.07597969028088 0.13381604522237 158.925 *13 Se 0.04120291410907 0.09948438330533 0.87421179903310 78.960 14 Se 0.95879708589093 0.59948438330533 0.12578820096690 78.960 15 Se 0.54120291410907 0.09948438330533 0.62578820096690 78.960 16 Se 0.45879708589093 0.90051561669467 0.37421179903310 78.960 17 Se 0.45879708589093 0.59948438330533 0.37421179903310 78.960 18 Se 0.95879708589093 0.90051561669467 0.12578820096690 78.960 19 Se 0.54120291410907 0.40051561669467 0.62578820096690 78.960 20 Se 0.04120291410907 0.40051561669467 0.87421179903310 78.960 *21 Cl 0.58922320288099 0.75000000000000 0.99825145445238 35.453 22 Cl 0.41077679711901 0.25000000000000 0.00174854554762 35.453 23 Cl 0.08922320288099 0.75000000000000 0.50174854554762 35.453 24 Cl 0.91077679711901 0.25000000000000 0.49825145445238 35.453 *25 O 0.19829021272505 0.95093465419514 0.44177952219046 15.999 *26 O 0.12993229521930 0.63007495037552 0.99759925720764 15.999 *27 O 0.37661120410275 0.01030592276013 0.68536513809566 15.999 *28 O 0.23077463425831 0.15821564642392 0.24806379526447 15.999 29 O 0.37006770478070 0.13007495037552 0.49759925720764 15.999 30 O 0.87006770478070 0.13007495037552 0.00240074279236 15.999 31 O 0.87661120410275 0.48969407723987 0.81463486190434 15.999 32 O 0.12338879589726 0.98969407723987 0.18536513809565 15.999 33 O 0.62338879589725 0.51030592276013 0.31463486190434 15.999 34 O 0.26922536574169 0.65821564642392 0.74806379526447 15.999 35 O 0.80170978727495 0.04906534580486 0.55822047780954 15.999 36 O 0.26922536574169 0.84178435357608 0.74806379526447 15.999 37 O 0.76922536574169 0.65821564642392 0.75193620473553 15.999 38 O 0.73077463425831 0.34178435357608 0.25193620473553 15.999 39 O 0.69829021272505 0.95093465419514 0.05822047780954 15.999 40 O 0.62993229521930 0.86992504962448 0.50240074279236 15.999 41 O 0.62993229521930 0.63007495037552 0.50240074279236 15.999 42 O 0.76922536574169 0.84178435357608 0.75193620473553 15.999 43 O 0.23077463425831 0.34178435357608 0.24806379526447 15.999 44 O 0.62338879589725 0.98969407723987 0.31463486190434 15.999 45 O 0.19829021272505 0.54906534580486 0.44177952219046 15.999 46 O 0.69829021272505 0.54906534580486 0.05822047780954 15.999 47 O 0.73077463425831 0.15821564642392 0.25193620473553 15.999 48 O 0.37006770478070 0.36992504962447 0.49759925720764 15.999 49 O 0.12993229521930 0.86992504962448 0.99759925720764 15.999 50 O 0.80170978727495 0.45093465419514 0.55822047780954 15.999 51 O 0.30170978727495 0.45093465419514 0.94177952219046 15.999 52 O 0.87661120410275 0.01030592276013 0.81463486190434 15.999 53 O 0.87006770478070 0.36992504962447 0.00240074279236 15.999 54 O 0.12338879589726 0.51030592276013 0.18536513809565 15.999 55 O 0.30170978727495 0.04906534580486 0.94177952219046 15.999 56 O 0.37661120410275 0.48969407723987 0.68536513809566 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.316420980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): *1 Tb 0.49064074128956 0.42402030971912 0.13381604522237 158.925 > 1 *2 Tb 0.02861948049303 0.75000000000000 0.85768649905214 158.925 > 2 3 Tb 0.99064074128956 0.07597969028088 0.36618395477763 158.925 > 3 4 Tb 0.97138051950697 0.25000000000000 0.14231350094786 158.925 > 4 5 Tb 0.47138051950697 0.25000000000000 0.35768649905214 158.925 > 5 6 Tb 0.52861948049303 0.75000000000000 0.64231350094786 158.925 > 6 7 Tb 0.50935925871044 0.92402030971912 0.86618395477763 158.925 > 7 8 Tb 0.00935925871044 0.92402030971912 0.63381604522237 158.925 > 8 9 Tb 0.50935925871044 0.57597969028088 0.86618395477763 158.925 > 9 10 Tb 0.99064074128956 0.42402030971912 0.36618395477763 158.925 > 10 11 Tb 0.00935925871044 0.57597969028088 0.63381604522237 158.925 > 11 12 Tb 0.49064074128956 0.07597969028088 0.13381604522237 158.925 > 12 *13 Se 0.04120291410907 0.09948438330533 0.87421179903310 78.960 > 13 14 Se 0.95879708589093 0.59948438330533 0.12578820096690 78.960 > 14 15 Se 0.54120291410907 0.09948438330533 0.62578820096690 78.960 > 15 16 Se 0.45879708589093 0.90051561669467 0.37421179903310 78.960 > 16 17 Se 0.45879708589093 0.59948438330533 0.37421179903310 78.960 > 17 18 Se 0.95879708589093 0.90051561669467 0.12578820096690 78.960 > 18 19 Se 0.54120291410907 0.40051561669467 0.62578820096690 78.960 > 19 20 Se 0.04120291410907 0.40051561669467 0.87421179903310 78.960 > 20 *21 Cl 0.58922320288099 0.75000000000000 0.99825145445238 35.453 > 21 22 Cl 0.41077679711901 0.25000000000000 0.00174854554762 35.453 > 22 23 Cl 0.08922320288099 0.75000000000000 0.50174854554762 35.453 > 23 24 Cl 0.91077679711901 0.25000000000000 0.49825145445238 35.453 > 24 *25 O 0.19829021272505 0.95093465419514 0.44177952219046 15.999 > 25 *26 O 0.12993229521930 0.63007495037552 0.99759925720764 15.999 > 26 *27 O 0.37661120410275 0.01030592276013 0.68536513809566 15.999 > 27 *28 O 0.23077463425831 0.15821564642392 0.24806379526447 15.999 > 28 29 O 0.37006770478070 0.13007495037552 0.49759925720764 15.999 > 29 30 O 0.87006770478070 0.13007495037552 0.00240074279236 15.999 > 30 31 O 0.87661120410275 0.48969407723987 0.81463486190434 15.999 > 31 32 O 0.12338879589726 0.98969407723987 0.18536513809565 15.999 > 32 33 O 0.62338879589725 0.51030592276013 0.31463486190434 15.999 > 33 34 O 0.26922536574169 0.65821564642392 0.74806379526447 15.999 > 34 35 O 0.80170978727495 0.04906534580486 0.55822047780954 15.999 > 35 36 O 0.26922536574169 0.84178435357608 0.74806379526447 15.999 > 36 37 O 0.76922536574169 0.65821564642392 0.75193620473553 15.999 > 37 38 O 0.73077463425831 0.34178435357608 0.25193620473553 15.999 > 38 39 O 0.69829021272505 0.95093465419514 0.05822047780954 15.999 > 39 40 O 0.62993229521930 0.86992504962448 0.50240074279236 15.999 > 40 41 O 0.62993229521930 0.63007495037552 0.50240074279236 15.999 > 41 42 O 0.76922536574169 0.84178435357608 0.75193620473553 15.999 > 42 43 O 0.23077463425831 0.34178435357608 0.24806379526447 15.999 > 43 44 O 0.62338879589725 0.98969407723987 0.31463486190434 15.999 > 44 45 O 0.19829021272505 0.54906534580486 0.44177952219046 15.999 > 45 46 O 0.69829021272505 0.54906534580486 0.05822047780954 15.999 > 46 47 O 0.73077463425831 0.15821564642392 0.25193620473553 15.999 > 47 48 O 0.37006770478070 0.36992504962447 0.49759925720764 15.999 > 48 49 O 0.12993229521930 0.86992504962448 0.99759925720764 15.999 > 49 50 O 0.80170978727495 0.45093465419514 0.55822047780954 15.999 > 50 51 O 0.30170978727495 0.45093465419514 0.94177952219046 15.999 > 51 52 O 0.87661120410275 0.01030592276013 0.81463486190434 15.999 > 52 53 O 0.87006770478070 0.36992504962447 0.00240074279236 15.999 > 53 54 O 0.12338879589726 0.51030592276013 0.18536513809565 15.999 > 54 55 O 0.30170978727495 0.04906534580486 0.94177952219046 15.999 > 55 56 O 0.37661120410275 0.48969407723987 0.68536513809566 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.632841960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): *1 Tb 0.24532037064478 0.42402030971912 0.13381604522237 158.925 > 1 2 Tb 0.74532037064478 0.42402030971912 0.13381604522237 158.925 > 1 *3 Tb 0.01430974024651 0.75000000000000 0.85768649905214 158.925 > 2 4 Tb 0.51430974024651 0.75000000000000 0.85768649905214 158.925 > 2 5 Tb 0.49532037064478 0.07597969028088 0.36618395477763 158.925 > 3 6 Tb 0.99532037064478 0.07597969028088 0.36618395477763 158.925 > 3 7 Tb 0.48569025975349 0.25000000000000 0.14231350094786 158.925 > 4 8 Tb 0.98569025975349 0.25000000000000 0.14231350094786 158.925 > 4 9 Tb 0.23569025975349 0.25000000000000 0.35768649905214 158.925 > 5 10 Tb 0.73569025975349 0.25000000000000 0.35768649905214 158.925 > 5 11 Tb 0.26430974024651 0.75000000000000 0.64231350094786 158.925 > 6 12 Tb 0.76430974024651 0.75000000000000 0.64231350094786 158.925 > 6 13 Tb 0.25467962935522 0.92402030971912 0.86618395477763 158.925 > 7 14 Tb 0.75467962935522 0.92402030971912 0.86618395477763 158.925 > 7 15 Tb 0.00467962935522 0.92402030971912 0.63381604522237 158.925 > 8 16 Tb 0.50467962935522 0.92402030971912 0.63381604522237 158.925 > 8 17 Tb 0.25467962935522 0.57597969028088 0.86618395477763 158.925 > 9 18 Tb 0.75467962935522 0.57597969028088 0.86618395477763 158.925 > 9 19 Tb 0.49532037064478 0.42402030971912 0.36618395477763 158.925 > 10 20 Tb 0.99532037064478 0.42402030971912 0.36618395477763 158.925 > 10 21 Tb 0.00467962935522 0.57597969028088 0.63381604522237 158.925 > 11 22 Tb 0.50467962935522 0.57597969028088 0.63381604522237 158.925 > 11 23 Tb 0.24532037064478 0.07597969028088 0.13381604522237 158.925 > 12 24 Tb 0.74532037064478 0.07597969028088 0.13381604522237 158.925 > 12 *25 Se 0.02060145705453 0.09948438330533 0.87421179903310 78.960 > 13 26 Se 0.52060145705453 0.09948438330533 0.87421179903310 78.960 > 13 27 Se 0.47939854294547 0.59948438330533 0.12578820096690 78.960 > 14 28 Se 0.97939854294547 0.59948438330533 0.12578820096690 78.960 > 14 29 Se 0.27060145705453 0.09948438330533 0.62578820096690 78.960 > 15 30 Se 0.77060145705453 0.09948438330533 0.62578820096690 78.960 > 15 31 Se 0.22939854294547 0.90051561669467 0.37421179903310 78.960 > 16 32 Se 0.72939854294547 0.90051561669467 0.37421179903310 78.960 > 16 33 Se 0.22939854294547 0.59948438330533 0.37421179903310 78.960 > 17 34 Se 0.72939854294547 0.59948438330533 0.37421179903310 78.960 > 17 35 Se 0.47939854294547 0.90051561669467 0.12578820096690 78.960 > 18 36 Se 0.97939854294547 0.90051561669467 0.12578820096690 78.960 > 18 37 Se 0.27060145705453 0.40051561669467 0.62578820096690 78.960 > 19 38 Se 0.77060145705453 0.40051561669467 0.62578820096690 78.960 > 19 39 Se 0.02060145705453 0.40051561669467 0.87421179903310 78.960 > 20 40 Se 0.52060145705453 0.40051561669467 0.87421179903310 78.960 > 20 *41 Cl 0.29461160144049 0.75000000000000 0.99825145445238 35.453 > 21 42 Cl 0.79461160144049 0.75000000000000 0.99825145445238 35.453 > 21 43 Cl 0.20538839855951 0.25000000000000 0.00174854554762 35.453 > 22 44 Cl 0.70538839855951 0.25000000000000 0.00174854554762 35.453 > 22 45 Cl 0.04461160144049 0.75000000000000 0.50174854554762 35.453 > 23 46 Cl 0.54461160144049 0.75000000000000 0.50174854554762 35.453 > 23 47 Cl 0.45538839855951 0.25000000000000 0.49825145445238 35.453 > 24 48 Cl 0.95538839855951 0.25000000000000 0.49825145445238 35.453 > 24 *49 O 0.09914510636252 0.95093465419514 0.44177952219046 15.999 > 25 50 O 0.59914510636252 0.95093465419514 0.44177952219046 15.999 > 25 *51 O 0.06496614760965 0.63007495037552 0.99759925720764 15.999 > 26 52 O 0.56496614760965 0.63007495037552 0.99759925720764 15.999 > 26 *53 O 0.18830560205137 0.01030592276013 0.68536513809566 15.999 > 27 54 O 0.68830560205137 0.01030592276013 0.68536513809566 15.999 > 27 *55 O 0.11538731712916 0.15821564642392 0.24806379526447 15.999 > 28 56 O 0.61538731712916 0.15821564642392 0.24806379526447 15.999 > 28 57 O 0.18503385239035 0.13007495037552 0.49759925720764 15.999 > 29 58 O 0.68503385239035 0.13007495037552 0.49759925720764 15.999 > 29 59 O 0.43503385239035 0.13007495037552 0.00240074279236 15.999 > 30 60 O 0.93503385239035 0.13007495037552 0.00240074279236 15.999 > 30 61 O 0.43830560205137 0.48969407723987 0.81463486190434 15.999 > 31 62 O 0.93830560205137 0.48969407723987 0.81463486190434 15.999 > 31 63 O 0.06169439794863 0.98969407723987 0.18536513809565 15.999 > 32 64 O 0.56169439794863 0.98969407723987 0.18536513809565 15.999 > 32 65 O 0.31169439794863 0.51030592276013 0.31463486190434 15.999 > 33 66 O 0.81169439794863 0.51030592276013 0.31463486190434 15.999 > 33 67 O 0.13461268287084 0.65821564642392 0.74806379526447 15.999 > 34 68 O 0.63461268287084 0.65821564642392 0.74806379526447 15.999 > 34 69 O 0.40085489363748 0.04906534580486 0.55822047780954 15.999 > 35 70 O 0.90085489363748 0.04906534580486 0.55822047780954 15.999 > 35 71 O 0.13461268287084 0.84178435357608 0.74806379526447 15.999 > 36 72 O 0.63461268287084 0.84178435357608 0.74806379526447 15.999 > 36 73 O 0.38461268287084 0.65821564642392 0.75193620473553 15.999 > 37 74 O 0.88461268287084 0.65821564642392 0.75193620473553 15.999 > 37 75 O 0.36538731712916 0.34178435357608 0.25193620473553 15.999 > 38 76 O 0.86538731712916 0.34178435357608 0.25193620473553 15.999 > 38 77 O 0.34914510636252 0.95093465419514 0.05822047780954 15.999 > 39 78 O 0.84914510636252 0.95093465419514 0.05822047780954 15.999 > 39 79 O 0.31496614760965 0.86992504962448 0.50240074279236 15.999 > 40 80 O 0.81496614760965 0.86992504962448 0.50240074279236 15.999 > 40 81 O 0.31496614760965 0.63007495037552 0.50240074279236 15.999 > 41 82 O 0.81496614760965 0.63007495037552 0.50240074279236 15.999 > 41 83 O 0.38461268287084 0.84178435357608 0.75193620473553 15.999 > 42 84 O 0.88461268287084 0.84178435357608 0.75193620473553 15.999 > 42 85 O 0.11538731712916 0.34178435357608 0.24806379526447 15.999 > 43 86 O 0.61538731712916 0.34178435357608 0.24806379526447 15.999 > 43 87 O 0.31169439794863 0.98969407723987 0.31463486190434 15.999 > 44 88 O 0.81169439794863 0.98969407723987 0.31463486190434 15.999 > 44 89 O 0.09914510636252 0.54906534580486 0.44177952219046 15.999 > 45 90 O 0.59914510636252 0.54906534580486 0.44177952219046 15.999 > 45 91 O 0.34914510636252 0.54906534580486 0.05822047780954 15.999 > 46 92 O 0.84914510636252 0.54906534580486 0.05822047780954 15.999 > 46 93 O 0.36538731712916 0.15821564642392 0.25193620473553 15.999 > 47 94 O 0.86538731712916 0.15821564642392 0.25193620473553 15.999 > 47 95 O 0.18503385239035 0.36992504962447 0.49759925720764 15.999 > 48 96 O 0.68503385239035 0.36992504962447 0.49759925720764 15.999 > 48 97 O 0.06496614760965 0.86992504962448 0.99759925720764 15.999 > 49 98 O 0.56496614760965 0.86992504962448 0.99759925720764 15.999 > 49 99 O 0.40085489363748 0.45093465419514 0.55822047780954 15.999 > 50 100 O 0.90085489363748 0.45093465419514 0.55822047780954 15.999 > 50 101 O 0.15085489363748 0.45093465419514 0.94177952219046 15.999 > 51 102 O 0.65085489363748 0.45093465419514 0.94177952219046 15.999 > 51 103 O 0.43830560205137 0.01030592276013 0.81463486190434 15.999 > 52 104 O 0.93830560205137 0.01030592276013 0.81463486190434 15.999 > 52 105 O 0.43503385239035 0.36992504962447 0.00240074279236 15.999 > 53 106 O 0.93503385239035 0.36992504962447 0.00240074279236 15.999 > 53 107 O 0.06169439794863 0.51030592276013 0.18536513809565 15.999 > 54 108 O 0.56169439794863 0.51030592276013 0.18536513809565 15.999 > 54 109 O 0.15085489363748 0.04906534580486 0.94177952219046 15.999 > 55 110 O 0.65085489363748 0.04906534580486 0.94177952219046 15.999 > 55 111 O 0.18830560205137 0.48969407723987 0.68536513809566 15.999 > 56 112 O 0.68830560205137 0.48969407723987 0.68536513809566 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0157071 0.0000000 0.0000000 0.0000000 3.8393605 0.0000000 0.0000000 0.0000000 3.7608081 -------------------------- Born effective charges -------------------------- 1 Tb 4.3834247 -0.0388175 -0.0299562 0.1398826 4.0268339 -0.3676340 0.1974156 -0.5626051 4.0060405 2 Tb 3.7661814 0.0000000 -0.3773298 0.0000000 4.3572518 0.0000000 0.1392636 -0.0000000 3.3184419 3 Tb 4.3834247 0.0388175 0.0299562 -0.1398826 4.0268339 -0.3676340 -0.1974156 -0.5626051 4.0060405 4 Tb 3.7661814 0.0000000 -0.3773298 0.0000000 4.3572518 0.0000000 0.1392636 -0.0000000 3.3184419 5 Tb 3.7661814 0.0000000 0.3773298 0.0000000 4.3572518 0.0000000 -0.1392636 -0.0000000 3.3184419 6 Tb 3.7661814 0.0000000 0.3773298 0.0000000 4.3572518 0.0000000 -0.1392636 -0.0000000 3.3184419 7 Tb 4.3834247 0.0388175 -0.0299562 -0.1398826 4.0268339 0.3676340 0.1974156 0.5626051 4.0060405 8 Tb 4.3834247 0.0388175 0.0299562 -0.1398826 4.0268339 -0.3676340 -0.1974156 -0.5626051 4.0060405 9 Tb 4.3834247 -0.0388175 -0.0299562 0.1398826 4.0268339 -0.3676340 0.1974156 -0.5626051 4.0060405 10 Tb 4.3834247 -0.0388175 0.0299562 0.1398826 4.0268339 0.3676340 -0.1974156 0.5626051 4.0060405 11 Tb 4.3834247 -0.0388175 0.0299562 0.1398826 4.0268339 0.3676340 -0.1974156 0.5626051 4.0060405 12 Tb 4.3834247 0.0388175 -0.0299562 -0.1398826 4.0268339 0.3676340 0.1974156 0.5626051 4.0060405 13 Se 3.2709734 -0.1207475 0.2494613 -0.1449601 2.4307016 1.0850645 0.2724242 1.2767370 2.8830206 14 Se 3.2709734 0.1207475 0.2494613 0.1449601 2.4307016 -1.0850645 0.2724242 -1.2767370 2.8830206 15 Se 3.2709734 -0.1207475 -0.2494613 -0.1449601 2.4307016 -1.0850645 -0.2724242 -1.2767370 2.8830206 16 Se 3.2709734 -0.1207475 -0.2494613 -0.1449601 2.4307016 -1.0850645 -0.2724242 -1.2767370 2.8830206 17 Se 3.2709734 0.1207475 -0.2494613 0.1449601 2.4307016 1.0850645 -0.2724242 1.2767370 2.8830206 18 Se 3.2709734 -0.1207475 0.2494613 -0.1449601 2.4307016 1.0850645 0.2724242 1.2767370 2.8830206 19 Se 3.2709734 0.1207475 -0.2494613 0.1449601 2.4307016 1.0850645 -0.2724242 1.2767370 2.8830206 20 Se 3.2709734 0.1207475 0.2494613 0.1449601 2.4307016 -1.0850645 0.2724242 -1.2767370 2.8830206 21 Cl -1.3511634 0.0000000 -0.1217628 0.0000000 -1.4522263 0.0000000 -0.0010637 -0.0000000 -1.0065660 22 Cl -1.3511634 0.0000000 -0.1217628 0.0000000 -1.4522263 0.0000000 -0.0010637 -0.0000000 -1.0065660 23 Cl -1.3511634 0.0000000 0.1217628 0.0000000 -1.4522263 0.0000000 0.0010637 -0.0000000 -1.0065660 24 Cl -1.3511634 0.0000000 0.1217628 0.0000000 -1.4522263 0.0000000 0.0010637 -0.0000000 -1.0065660 25 O -2.5959292 1.0503255 0.8822860 0.5499100 -1.6080256 0.1462000 0.4718006 0.2311812 -1.8160733 26 O -1.6800693 -0.0695917 0.9626714 -0.3598590 -1.5052620 1.1768627 0.7349605 0.5916855 -2.2116020 27 O -1.8824579 -0.8948748 0.2213312 -0.7421080 -2.0525547 0.5082628 0.5970127 1.1880573 -1.7538754 28 O -2.7034508 -0.1769338 0.2082015 0.0392109 -2.7442059 0.0567158 0.1660345 -0.0099947 -2.2634483 29 O -1.6800693 0.0695917 -0.9626714 0.3598590 -1.5052620 1.1768627 -0.7349605 0.5916855 -2.2116020 30 O -1.6800693 0.0695917 0.9626714 0.3598590 -1.5052620 -1.1768627 0.7349605 -0.5916855 -2.2116020 31 O -1.8824579 0.8948748 -0.2213312 0.7421080 -2.0525547 0.5082628 -0.5970127 1.1880573 -1.7538754 32 O -1.8824579 -0.8948748 -0.2213312 -0.7421080 -2.0525547 -0.5082628 -0.5970127 -1.1880573 -1.7538754 33 O -1.8824579 0.8948748 0.2213312 0.7421080 -2.0525547 -0.5082628 0.5970127 -1.1880573 -1.7538754 34 O -2.7034508 0.1769338 -0.2082015 -0.0392109 -2.7442059 0.0567158 -0.1660345 -0.0099947 -2.2634483 35 O -2.5959292 1.0503255 0.8822860 0.5499100 -1.6080256 0.1462000 0.4718006 0.2311812 -1.8160733 36 O -2.7034508 -0.1769338 -0.2082015 0.0392109 -2.7442059 -0.0567158 -0.1660345 0.0099947 -2.2634483 37 O -2.7034508 0.1769338 0.2082015 -0.0392109 -2.7442059 -0.0567158 0.1660345 0.0099947 -2.2634483 38 O -2.7034508 0.1769338 -0.2082015 -0.0392109 -2.7442059 0.0567158 -0.1660345 -0.0099947 -2.2634483 39 O -2.5959292 1.0503255 -0.8822860 0.5499100 -1.6080256 -0.1462000 -0.4718006 -0.2311812 -1.8160733 40 O -1.6800693 0.0695917 -0.9626714 0.3598590 -1.5052620 1.1768627 -0.7349605 0.5916855 -2.2116020 41 O -1.6800693 -0.0695917 -0.9626714 -0.3598590 -1.5052620 -1.1768627 -0.7349605 -0.5916855 -2.2116020 42 O -2.7034508 -0.1769338 0.2082015 0.0392109 -2.7442059 0.0567158 0.1660345 -0.0099947 -2.2634483 43 O -2.7034508 0.1769338 0.2082015 -0.0392109 -2.7442059 -0.0567158 0.1660345 0.0099947 -2.2634483 44 O -1.8824579 -0.8948748 0.2213312 -0.7421080 -2.0525547 0.5082628 0.5970127 1.1880573 -1.7538754 45 O -2.5959292 -1.0503255 0.8822860 -0.5499100 -1.6080256 -0.1462000 0.4718006 -0.2311812 -1.8160733 46 O -2.5959292 -1.0503255 -0.8822860 -0.5499100 -1.6080256 0.1462000 -0.4718006 0.2311812 -1.8160733 47 O -2.7034508 -0.1769338 -0.2082015 0.0392109 -2.7442059 -0.0567158 -0.1660345 0.0099947 -2.2634483 48 O -1.6800693 -0.0695917 -0.9626714 -0.3598590 -1.5052620 -1.1768627 -0.7349605 -0.5916855 -2.2116020 49 O -1.6800693 0.0695917 0.9626714 0.3598590 -1.5052620 -1.1768627 0.7349605 -0.5916855 -2.2116020 50 O -2.5959292 -1.0503255 0.8822860 -0.5499100 -1.6080256 -0.1462000 0.4718006 -0.2311812 -1.8160733 51 O -2.5959292 -1.0503255 -0.8822860 -0.5499100 -1.6080256 0.1462000 -0.4718006 0.2311812 -1.8160733 52 O -1.8824579 -0.8948748 -0.2213312 -0.7421080 -2.0525547 -0.5082628 -0.5970127 -1.1880573 -1.7538754 53 O -1.6800693 -0.0695917 0.9626714 -0.3598590 -1.5052620 1.1768627 0.7349605 0.5916855 -2.2116020 54 O -1.8824579 0.8948748 -0.2213312 0.7421080 -2.0525547 0.5082628 -0.5970127 1.1880573 -1.7538754 55 O -2.5959292 1.0503255 -0.8822860 0.5499100 -1.6080256 -0.1462000 -0.4718006 -0.2311812 -1.8160733 56 O -1.8824579 0.8948748 0.2213312 0.7421080 -2.0525547 -0.5082628 0.5970127 -1.1880573 -1.7538754 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 3.176 Solver_block: 200 / 880 - Time: 3.223 Solver_block: 300 / 880 - Time: 3.029 Solver_block: 400 / 880 - Time: 2.146 Solver_block: 500 / 880 - Time: 1.987 Solver_block: 600 / 880 - Time: 2.862 Solver_block: 700 / 880 - Time: 2.210 Solver_block: 800 / 880 - Time: 2.103 Solver_block: 880 / 880 - Time: 1.923 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.600 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), 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 14:12:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:12:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.316420980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): 1 Tb 0.49064074128956 0.42402030971912 0.13381604522237 158.925 2 Tb 0.02861948049303 0.75000000000000 0.85768649905214 158.925 3 Tb 0.99064074128956 0.07597969028088 0.36618395477763 158.925 4 Tb 0.97138051950697 0.25000000000000 0.14231350094786 158.925 5 Tb 0.47138051950697 0.25000000000000 0.35768649905214 158.925 6 Tb 0.52861948049303 0.75000000000000 0.64231350094786 158.925 7 Tb 0.50935925871044 0.92402030971912 0.86618395477763 158.925 8 Tb 0.00935925871044 0.92402030971912 0.63381604522237 158.925 9 Tb 0.50935925871044 0.57597969028088 0.86618395477763 158.925 10 Tb 0.99064074128956 0.42402030971912 0.36618395477763 158.925 11 Tb 0.00935925871044 0.57597969028088 0.63381604522237 158.925 12 Tb 0.49064074128956 0.07597969028088 0.13381604522237 158.925 13 Se 0.04120291410907 0.09948438330533 0.87421179903310 78.960 14 Se 0.95879708589093 0.59948438330533 0.12578820096690 78.960 15 Se 0.54120291410907 0.09948438330533 0.62578820096690 78.960 16 Se 0.45879708589093 0.90051561669467 0.37421179903310 78.960 17 Se 0.45879708589093 0.59948438330533 0.37421179903310 78.960 18 Se 0.95879708589093 0.90051561669467 0.12578820096690 78.960 19 Se 0.54120291410907 0.40051561669467 0.62578820096690 78.960 20 Se 0.04120291410907 0.40051561669467 0.87421179903310 78.960 21 Cl 0.58922320288099 0.75000000000000 0.99825145445238 35.453 22 Cl 0.41077679711901 0.25000000000000 0.00174854554762 35.453 23 Cl 0.08922320288099 0.75000000000000 0.50174854554762 35.453 24 Cl 0.91077679711901 0.25000000000000 0.49825145445238 35.453 25 O 0.19829021272505 0.95093465419514 0.44177952219046 15.999 26 O 0.12993229521930 0.63007495037552 0.99759925720764 15.999 27 O 0.37661120410275 0.01030592276013 0.68536513809566 15.999 28 O 0.23077463425831 0.15821564642392 0.24806379526447 15.999 29 O 0.37006770478070 0.13007495037552 0.49759925720764 15.999 30 O 0.87006770478070 0.13007495037552 0.00240074279236 15.999 31 O 0.87661120410275 0.48969407723987 0.81463486190434 15.999 32 O 0.12338879589726 0.98969407723987 0.18536513809565 15.999 33 O 0.62338879589725 0.51030592276013 0.31463486190434 15.999 34 O 0.26922536574169 0.65821564642392 0.74806379526447 15.999 35 O 0.80170978727495 0.04906534580486 0.55822047780954 15.999 36 O 0.26922536574169 0.84178435357608 0.74806379526447 15.999 37 O 0.76922536574169 0.65821564642392 0.75193620473553 15.999 38 O 0.73077463425831 0.34178435357608 0.25193620473553 15.999 39 O 0.69829021272505 0.95093465419514 0.05822047780954 15.999 40 O 0.62993229521930 0.86992504962448 0.50240074279236 15.999 41 O 0.62993229521930 0.63007495037552 0.50240074279236 15.999 42 O 0.76922536574169 0.84178435357608 0.75193620473553 15.999 43 O 0.23077463425831 0.34178435357608 0.24806379526447 15.999 44 O 0.62338879589725 0.98969407723987 0.31463486190434 15.999 45 O 0.19829021272505 0.54906534580486 0.44177952219046 15.999 46 O 0.69829021272505 0.54906534580486 0.05822047780954 15.999 47 O 0.73077463425831 0.15821564642392 0.25193620473553 15.999 48 O 0.37006770478070 0.36992504962447 0.49759925720764 15.999 49 O 0.12993229521930 0.86992504962448 0.99759925720764 15.999 50 O 0.80170978727495 0.45093465419514 0.55822047780954 15.999 51 O 0.30170978727495 0.45093465419514 0.94177952219046 15.999 52 O 0.87661120410275 0.01030592276013 0.81463486190434 15.999 53 O 0.87006770478070 0.36992504962447 0.00240074279236 15.999 54 O 0.12338879589726 0.51030592276013 0.18536513809565 15.999 55 O 0.30170978727495 0.04906534580486 0.94177952219046 15.999 56 O 0.37661120410275 0.48969407723987 0.68536513809566 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.632841960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): 1 Tb 0.24532037064478 0.42402030971912 0.13381604522237 158.925 > 1 2 Tb 0.74532037064478 0.42402030971912 0.13381604522237 158.925 > 1 3 Tb 0.01430974024651 0.75000000000000 0.85768649905214 158.925 > 3 4 Tb 0.51430974024651 0.75000000000000 0.85768649905214 158.925 > 3 5 Tb 0.49532037064478 0.07597969028088 0.36618395477763 158.925 > 5 6 Tb 0.99532037064478 0.07597969028088 0.36618395477763 158.925 > 5 7 Tb 0.48569025975349 0.25000000000000 0.14231350094786 158.925 > 7 8 Tb 0.98569025975349 0.25000000000000 0.14231350094786 158.925 > 7 9 Tb 0.23569025975349 0.25000000000000 0.35768649905214 158.925 > 9 10 Tb 0.73569025975349 0.25000000000000 0.35768649905214 158.925 > 9 11 Tb 0.26430974024651 0.75000000000000 0.64231350094786 158.925 > 11 12 Tb 0.76430974024651 0.75000000000000 0.64231350094786 158.925 > 11 13 Tb 0.25467962935522 0.92402030971912 0.86618395477763 158.925 > 13 14 Tb 0.75467962935522 0.92402030971912 0.86618395477763 158.925 > 13 15 Tb 0.00467962935522 0.92402030971912 0.63381604522237 158.925 > 15 16 Tb 0.50467962935522 0.92402030971912 0.63381604522237 158.925 > 15 17 Tb 0.25467962935522 0.57597969028088 0.86618395477763 158.925 > 17 18 Tb 0.75467962935522 0.57597969028088 0.86618395477763 158.925 > 17 19 Tb 0.49532037064478 0.42402030971912 0.36618395477763 158.925 > 19 20 Tb 0.99532037064478 0.42402030971912 0.36618395477763 158.925 > 19 21 Tb 0.00467962935522 0.57597969028088 0.63381604522237 158.925 > 21 22 Tb 0.50467962935522 0.57597969028088 0.63381604522237 158.925 > 21 23 Tb 0.24532037064478 0.07597969028088 0.13381604522237 158.925 > 23 24 Tb 0.74532037064478 0.07597969028088 0.13381604522237 158.925 > 23 25 Se 0.02060145705453 0.09948438330533 0.87421179903310 78.960 > 25 26 Se 0.52060145705453 0.09948438330533 0.87421179903310 78.960 > 25 27 Se 0.47939854294547 0.59948438330533 0.12578820096690 78.960 > 27 28 Se 0.97939854294547 0.59948438330533 0.12578820096690 78.960 > 27 29 Se 0.27060145705453 0.09948438330533 0.62578820096690 78.960 > 29 30 Se 0.77060145705453 0.09948438330533 0.62578820096690 78.960 > 29 31 Se 0.22939854294547 0.90051561669467 0.37421179903310 78.960 > 31 32 Se 0.72939854294547 0.90051561669467 0.37421179903310 78.960 > 31 33 Se 0.22939854294547 0.59948438330533 0.37421179903310 78.960 > 33 34 Se 0.72939854294547 0.59948438330533 0.37421179903310 78.960 > 33 35 Se 0.47939854294547 0.90051561669467 0.12578820096690 78.960 > 35 36 Se 0.97939854294547 0.90051561669467 0.12578820096690 78.960 > 35 37 Se 0.27060145705453 0.40051561669467 0.62578820096690 78.960 > 37 38 Se 0.77060145705453 0.40051561669467 0.62578820096690 78.960 > 37 39 Se 0.02060145705453 0.40051561669467 0.87421179903310 78.960 > 39 40 Se 0.52060145705453 0.40051561669467 0.87421179903310 78.960 > 39 41 Cl 0.29461160144049 0.75000000000000 0.99825145445238 35.453 > 41 42 Cl 0.79461160144049 0.75000000000000 0.99825145445238 35.453 > 41 43 Cl 0.20538839855951 0.25000000000000 0.00174854554762 35.453 > 43 44 Cl 0.70538839855951 0.25000000000000 0.00174854554762 35.453 > 43 45 Cl 0.04461160144049 0.75000000000000 0.50174854554762 35.453 > 45 46 Cl 0.54461160144049 0.75000000000000 0.50174854554762 35.453 > 45 47 Cl 0.45538839855951 0.25000000000000 0.49825145445238 35.453 > 47 48 Cl 0.95538839855951 0.25000000000000 0.49825145445238 35.453 > 47 49 O 0.09914510636252 0.95093465419514 0.44177952219046 15.999 > 49 50 O 0.59914510636252 0.95093465419514 0.44177952219046 15.999 > 49 51 O 0.06496614760965 0.63007495037552 0.99759925720764 15.999 > 51 52 O 0.56496614760965 0.63007495037552 0.99759925720764 15.999 > 51 53 O 0.18830560205137 0.01030592276013 0.68536513809566 15.999 > 53 54 O 0.68830560205137 0.01030592276013 0.68536513809566 15.999 > 53 55 O 0.11538731712916 0.15821564642392 0.24806379526447 15.999 > 55 56 O 0.61538731712916 0.15821564642392 0.24806379526447 15.999 > 55 57 O 0.18503385239035 0.13007495037552 0.49759925720764 15.999 > 57 58 O 0.68503385239035 0.13007495037552 0.49759925720764 15.999 > 57 59 O 0.43503385239035 0.13007495037552 0.00240074279236 15.999 > 59 60 O 0.93503385239035 0.13007495037552 0.00240074279236 15.999 > 59 61 O 0.43830560205137 0.48969407723987 0.81463486190434 15.999 > 61 62 O 0.93830560205137 0.48969407723987 0.81463486190434 15.999 > 61 63 O 0.06169439794863 0.98969407723987 0.18536513809565 15.999 > 63 64 O 0.56169439794863 0.98969407723987 0.18536513809565 15.999 > 63 65 O 0.31169439794863 0.51030592276013 0.31463486190434 15.999 > 65 66 O 0.81169439794863 0.51030592276013 0.31463486190434 15.999 > 65 67 O 0.13461268287084 0.65821564642392 0.74806379526447 15.999 > 67 68 O 0.63461268287084 0.65821564642392 0.74806379526447 15.999 > 67 69 O 0.40085489363748 0.04906534580486 0.55822047780954 15.999 > 69 70 O 0.90085489363748 0.04906534580486 0.55822047780954 15.999 > 69 71 O 0.13461268287084 0.84178435357608 0.74806379526447 15.999 > 71 72 O 0.63461268287084 0.84178435357608 0.74806379526447 15.999 > 71 73 O 0.38461268287084 0.65821564642392 0.75193620473553 15.999 > 73 74 O 0.88461268287084 0.65821564642392 0.75193620473553 15.999 > 73 75 O 0.36538731712916 0.34178435357608 0.25193620473553 15.999 > 75 76 O 0.86538731712916 0.34178435357608 0.25193620473553 15.999 > 75 77 O 0.34914510636252 0.95093465419514 0.05822047780954 15.999 > 77 78 O 0.84914510636252 0.95093465419514 0.05822047780954 15.999 > 77 79 O 0.31496614760965 0.86992504962448 0.50240074279236 15.999 > 79 80 O 0.81496614760965 0.86992504962448 0.50240074279236 15.999 > 79 81 O 0.31496614760965 0.63007495037552 0.50240074279236 15.999 > 81 82 O 0.81496614760965 0.63007495037552 0.50240074279236 15.999 > 81 83 O 0.38461268287084 0.84178435357608 0.75193620473553 15.999 > 83 84 O 0.88461268287084 0.84178435357608 0.75193620473553 15.999 > 83 85 O 0.11538731712916 0.34178435357608 0.24806379526447 15.999 > 85 86 O 0.61538731712916 0.34178435357608 0.24806379526447 15.999 > 85 87 O 0.31169439794863 0.98969407723987 0.31463486190434 15.999 > 87 88 O 0.81169439794863 0.98969407723987 0.31463486190434 15.999 > 87 89 O 0.09914510636252 0.54906534580486 0.44177952219046 15.999 > 89 90 O 0.59914510636252 0.54906534580486 0.44177952219046 15.999 > 89 91 O 0.34914510636252 0.54906534580486 0.05822047780954 15.999 > 91 92 O 0.84914510636252 0.54906534580486 0.05822047780954 15.999 > 91 93 O 0.36538731712916 0.15821564642392 0.25193620473553 15.999 > 93 94 O 0.86538731712916 0.15821564642392 0.25193620473553 15.999 > 93 95 O 0.18503385239035 0.36992504962447 0.49759925720764 15.999 > 95 96 O 0.68503385239035 0.36992504962447 0.49759925720764 15.999 > 95 97 O 0.06496614760965 0.86992504962448 0.99759925720764 15.999 > 97 98 O 0.56496614760965 0.86992504962448 0.99759925720764 15.999 > 97 99 O 0.40085489363748 0.45093465419514 0.55822047780954 15.999 > 99 100 O 0.90085489363748 0.45093465419514 0.55822047780954 15.999 > 99 101 O 0.15085489363748 0.45093465419514 0.94177952219046 15.999 > 101 102 O 0.65085489363748 0.45093465419514 0.94177952219046 15.999 > 101 103 O 0.43830560205137 0.01030592276013 0.81463486190434 15.999 > 103 104 O 0.93830560205137 0.01030592276013 0.81463486190434 15.999 > 103 105 O 0.43503385239035 0.36992504962447 0.00240074279236 15.999 > 105 106 O 0.93503385239035 0.36992504962447 0.00240074279236 15.999 > 105 107 O 0.06169439794863 0.51030592276013 0.18536513809565 15.999 > 107 108 O 0.56169439794863 0.51030592276013 0.18536513809565 15.999 > 107 109 O 0.15085489363748 0.04906534580486 0.94177952219046 15.999 > 109 110 O 0.65085489363748 0.04906534580486 0.94177952219046 15.999 > 109 111 O 0.18830560205137 0.48969407723987 0.68536513809566 15.999 > 111 112 O 0.68830560205137 0.48969407723987 0.68536513809566 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0157071 0.0000000 0.0000000 0.0000000 3.8393605 0.0000000 0.0000000 0.0000000 3.7608081 -------------------------- Born effective charges -------------------------- 1 Tb 4.3834247 -0.0388175 -0.0299562 0.1398826 4.0268339 -0.3676340 0.1974156 -0.5626051 4.0060405 2 Tb 3.7661814 0.0000000 -0.3773298 0.0000000 4.3572518 0.0000000 0.1392636 -0.0000000 3.3184419 3 Tb 4.3834247 0.0388175 0.0299562 -0.1398826 4.0268339 -0.3676340 -0.1974156 -0.5626051 4.0060405 4 Tb 3.7661814 0.0000000 -0.3773298 0.0000000 4.3572518 0.0000000 0.1392636 -0.0000000 3.3184419 5 Tb 3.7661814 0.0000000 0.3773298 0.0000000 4.3572518 0.0000000 -0.1392636 -0.0000000 3.3184419 6 Tb 3.7661814 0.0000000 0.3773298 0.0000000 4.3572518 0.0000000 -0.1392636 -0.0000000 3.3184419 7 Tb 4.3834247 0.0388175 -0.0299562 -0.1398826 4.0268339 0.3676340 0.1974156 0.5626051 4.0060405 8 Tb 4.3834247 0.0388175 0.0299562 -0.1398826 4.0268339 -0.3676340 -0.1974156 -0.5626051 4.0060405 9 Tb 4.3834247 -0.0388175 -0.0299562 0.1398826 4.0268339 -0.3676340 0.1974156 -0.5626051 4.0060405 10 Tb 4.3834247 -0.0388175 0.0299562 0.1398826 4.0268339 0.3676340 -0.1974156 0.5626051 4.0060405 11 Tb 4.3834247 -0.0388175 0.0299562 0.1398826 4.0268339 0.3676340 -0.1974156 0.5626051 4.0060405 12 Tb 4.3834247 0.0388175 -0.0299562 -0.1398826 4.0268339 0.3676340 0.1974156 0.5626051 4.0060405 13 Se 3.2709734 -0.1207475 0.2494613 -0.1449601 2.4307016 1.0850645 0.2724242 1.2767370 2.8830206 14 Se 3.2709734 0.1207475 0.2494613 0.1449601 2.4307016 -1.0850645 0.2724242 -1.2767370 2.8830206 15 Se 3.2709734 -0.1207475 -0.2494613 -0.1449601 2.4307016 -1.0850645 -0.2724242 -1.2767370 2.8830206 16 Se 3.2709734 -0.1207475 -0.2494613 -0.1449601 2.4307016 -1.0850645 -0.2724242 -1.2767370 2.8830206 17 Se 3.2709734 0.1207475 -0.2494613 0.1449601 2.4307016 1.0850645 -0.2724242 1.2767370 2.8830206 18 Se 3.2709734 -0.1207475 0.2494613 -0.1449601 2.4307016 1.0850645 0.2724242 1.2767370 2.8830206 19 Se 3.2709734 0.1207475 -0.2494613 0.1449601 2.4307016 1.0850645 -0.2724242 1.2767370 2.8830206 20 Se 3.2709734 0.1207475 0.2494613 0.1449601 2.4307016 -1.0850645 0.2724242 -1.2767370 2.8830206 21 Cl -1.3511634 0.0000000 -0.1217628 0.0000000 -1.4522263 0.0000000 -0.0010637 -0.0000000 -1.0065660 22 Cl -1.3511634 0.0000000 -0.1217628 0.0000000 -1.4522263 0.0000000 -0.0010637 -0.0000000 -1.0065660 23 Cl -1.3511634 0.0000000 0.1217628 0.0000000 -1.4522263 0.0000000 0.0010637 -0.0000000 -1.0065660 24 Cl -1.3511634 0.0000000 0.1217628 0.0000000 -1.4522263 0.0000000 0.0010637 -0.0000000 -1.0065660 25 O -2.5959292 1.0503255 0.8822860 0.5499100 -1.6080256 0.1462000 0.4718006 0.2311812 -1.8160733 26 O -1.6800693 -0.0695917 0.9626714 -0.3598590 -1.5052620 1.1768627 0.7349605 0.5916855 -2.2116020 27 O -1.8824579 -0.8948748 0.2213312 -0.7421080 -2.0525547 0.5082628 0.5970127 1.1880573 -1.7538754 28 O -2.7034508 -0.1769338 0.2082015 0.0392109 -2.7442059 0.0567158 0.1660345 -0.0099947 -2.2634483 29 O -1.6800693 0.0695917 -0.9626714 0.3598590 -1.5052620 1.1768627 -0.7349605 0.5916855 -2.2116020 30 O -1.6800693 0.0695917 0.9626714 0.3598590 -1.5052620 -1.1768627 0.7349605 -0.5916855 -2.2116020 31 O -1.8824579 0.8948748 -0.2213312 0.7421080 -2.0525547 0.5082628 -0.5970127 1.1880573 -1.7538754 32 O -1.8824579 -0.8948748 -0.2213312 -0.7421080 -2.0525547 -0.5082628 -0.5970127 -1.1880573 -1.7538754 33 O -1.8824579 0.8948748 0.2213312 0.7421080 -2.0525547 -0.5082628 0.5970127 -1.1880573 -1.7538754 34 O -2.7034508 0.1769338 -0.2082015 -0.0392109 -2.7442059 0.0567158 -0.1660345 -0.0099947 -2.2634483 35 O -2.5959292 1.0503255 0.8822860 0.5499100 -1.6080256 0.1462000 0.4718006 0.2311812 -1.8160733 36 O -2.7034508 -0.1769338 -0.2082015 0.0392109 -2.7442059 -0.0567158 -0.1660345 0.0099947 -2.2634483 37 O -2.7034508 0.1769338 0.2082015 -0.0392109 -2.7442059 -0.0567158 0.1660345 0.0099947 -2.2634483 38 O -2.7034508 0.1769338 -0.2082015 -0.0392109 -2.7442059 0.0567158 -0.1660345 -0.0099947 -2.2634483 39 O -2.5959292 1.0503255 -0.8822860 0.5499100 -1.6080256 -0.1462000 -0.4718006 -0.2311812 -1.8160733 40 O -1.6800693 0.0695917 -0.9626714 0.3598590 -1.5052620 1.1768627 -0.7349605 0.5916855 -2.2116020 41 O -1.6800693 -0.0695917 -0.9626714 -0.3598590 -1.5052620 -1.1768627 -0.7349605 -0.5916855 -2.2116020 42 O -2.7034508 -0.1769338 0.2082015 0.0392109 -2.7442059 0.0567158 0.1660345 -0.0099947 -2.2634483 43 O -2.7034508 0.1769338 0.2082015 -0.0392109 -2.7442059 -0.0567158 0.1660345 0.0099947 -2.2634483 44 O -1.8824579 -0.8948748 0.2213312 -0.7421080 -2.0525547 0.5082628 0.5970127 1.1880573 -1.7538754 45 O -2.5959292 -1.0503255 0.8822860 -0.5499100 -1.6080256 -0.1462000 0.4718006 -0.2311812 -1.8160733 46 O -2.5959292 -1.0503255 -0.8822860 -0.5499100 -1.6080256 0.1462000 -0.4718006 0.2311812 -1.8160733 47 O -2.7034508 -0.1769338 -0.2082015 0.0392109 -2.7442059 -0.0567158 -0.1660345 0.0099947 -2.2634483 48 O -1.6800693 -0.0695917 -0.9626714 -0.3598590 -1.5052620 -1.1768627 -0.7349605 -0.5916855 -2.2116020 49 O -1.6800693 0.0695917 0.9626714 0.3598590 -1.5052620 -1.1768627 0.7349605 -0.5916855 -2.2116020 50 O -2.5959292 -1.0503255 0.8822860 -0.5499100 -1.6080256 -0.1462000 0.4718006 -0.2311812 -1.8160733 51 O -2.5959292 -1.0503255 -0.8822860 -0.5499100 -1.6080256 0.1462000 -0.4718006 0.2311812 -1.8160733 52 O -1.8824579 -0.8948748 -0.2213312 -0.7421080 -2.0525547 -0.5082628 -0.5970127 -1.1880573 -1.7538754 53 O -1.6800693 -0.0695917 0.9626714 -0.3598590 -1.5052620 1.1768627 0.7349605 0.5916855 -2.2116020 54 O -1.8824579 0.8948748 -0.2213312 0.7421080 -2.0525547 0.5082628 -0.5970127 1.1880573 -1.7538754 55 O -2.5959292 1.0503255 -0.8822860 0.5499100 -1.6080256 -0.1462000 -0.4718006 -0.2311812 -1.8160733 56 O -1.8824579 0.8948748 0.2213312 0.7421080 -2.0525547 -0.5082628 0.5970127 -1.1880573 -1.7538754 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (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 14:13:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:13:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.316420980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): 1 Tb 0.49064074128956 0.42402030971912 0.13381604522237 158.925 2 Tb 0.02861948049303 0.75000000000000 0.85768649905214 158.925 3 Tb 0.99064074128956 0.07597969028088 0.36618395477763 158.925 4 Tb 0.97138051950697 0.25000000000000 0.14231350094786 158.925 5 Tb 0.47138051950697 0.25000000000000 0.35768649905214 158.925 6 Tb 0.52861948049303 0.75000000000000 0.64231350094786 158.925 7 Tb 0.50935925871044 0.92402030971912 0.86618395477763 158.925 8 Tb 0.00935925871044 0.92402030971912 0.63381604522237 158.925 9 Tb 0.50935925871044 0.57597969028088 0.86618395477763 158.925 10 Tb 0.99064074128956 0.42402030971912 0.36618395477763 158.925 11 Tb 0.00935925871044 0.57597969028088 0.63381604522237 158.925 12 Tb 0.49064074128956 0.07597969028088 0.13381604522237 158.925 13 Se 0.04120291410907 0.09948438330533 0.87421179903310 78.960 14 Se 0.95879708589093 0.59948438330533 0.12578820096690 78.960 15 Se 0.54120291410907 0.09948438330533 0.62578820096690 78.960 16 Se 0.45879708589093 0.90051561669467 0.37421179903310 78.960 17 Se 0.45879708589093 0.59948438330533 0.37421179903310 78.960 18 Se 0.95879708589093 0.90051561669467 0.12578820096690 78.960 19 Se 0.54120291410907 0.40051561669467 0.62578820096690 78.960 20 Se 0.04120291410907 0.40051561669467 0.87421179903310 78.960 21 Cl 0.58922320288099 0.75000000000000 0.99825145445238 35.453 22 Cl 0.41077679711901 0.25000000000000 0.00174854554762 35.453 23 Cl 0.08922320288099 0.75000000000000 0.50174854554762 35.453 24 Cl 0.91077679711901 0.25000000000000 0.49825145445238 35.453 25 O 0.19829021272505 0.95093465419514 0.44177952219046 15.999 26 O 0.12993229521930 0.63007495037552 0.99759925720764 15.999 27 O 0.37661120410275 0.01030592276013 0.68536513809566 15.999 28 O 0.23077463425831 0.15821564642392 0.24806379526447 15.999 29 O 0.37006770478070 0.13007495037552 0.49759925720764 15.999 30 O 0.87006770478070 0.13007495037552 0.00240074279236 15.999 31 O 0.87661120410275 0.48969407723987 0.81463486190434 15.999 32 O 0.12338879589726 0.98969407723987 0.18536513809565 15.999 33 O 0.62338879589725 0.51030592276013 0.31463486190434 15.999 34 O 0.26922536574169 0.65821564642392 0.74806379526447 15.999 35 O 0.80170978727495 0.04906534580486 0.55822047780954 15.999 36 O 0.26922536574169 0.84178435357608 0.74806379526447 15.999 37 O 0.76922536574169 0.65821564642392 0.75193620473553 15.999 38 O 0.73077463425831 0.34178435357608 0.25193620473553 15.999 39 O 0.69829021272505 0.95093465419514 0.05822047780954 15.999 40 O 0.62993229521930 0.86992504962448 0.50240074279236 15.999 41 O 0.62993229521930 0.63007495037552 0.50240074279236 15.999 42 O 0.76922536574169 0.84178435357608 0.75193620473553 15.999 43 O 0.23077463425831 0.34178435357608 0.24806379526447 15.999 44 O 0.62338879589725 0.98969407723987 0.31463486190434 15.999 45 O 0.19829021272505 0.54906534580486 0.44177952219046 15.999 46 O 0.69829021272505 0.54906534580486 0.05822047780954 15.999 47 O 0.73077463425831 0.15821564642392 0.25193620473553 15.999 48 O 0.37006770478070 0.36992504962447 0.49759925720764 15.999 49 O 0.12993229521930 0.86992504962448 0.99759925720764 15.999 50 O 0.80170978727495 0.45093465419514 0.55822047780954 15.999 51 O 0.30170978727495 0.45093465419514 0.94177952219046 15.999 52 O 0.87661120410275 0.01030592276013 0.81463486190434 15.999 53 O 0.87006770478070 0.36992504962447 0.00240074279236 15.999 54 O 0.12338879589726 0.51030592276013 0.18536513809565 15.999 55 O 0.30170978727495 0.04906534580486 0.94177952219046 15.999 56 O 0.37661120410275 0.48969407723987 0.68536513809566 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.632841960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.181788109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.697416280000001 Atomic positions (fractional): 1 Tb 0.24532037064478 0.42402030971912 0.13381604522237 158.925 > 1 2 Tb 0.74532037064478 0.42402030971912 0.13381604522237 158.925 > 1 3 Tb 0.01430974024651 0.75000000000000 0.85768649905214 158.925 > 3 4 Tb 0.51430974024651 0.75000000000000 0.85768649905214 158.925 > 3 5 Tb 0.49532037064478 0.07597969028088 0.36618395477763 158.925 > 5 6 Tb 0.99532037064478 0.07597969028088 0.36618395477763 158.925 > 5 7 Tb 0.48569025975349 0.25000000000000 0.14231350094786 158.925 > 7 8 Tb 0.98569025975349 0.25000000000000 0.14231350094786 158.925 > 7 9 Tb 0.23569025975349 0.25000000000000 0.35768649905214 158.925 > 9 10 Tb 0.73569025975349 0.25000000000000 0.35768649905214 158.925 > 9 11 Tb 0.26430974024651 0.75000000000000 0.64231350094786 158.925 > 11 12 Tb 0.76430974024651 0.75000000000000 0.64231350094786 158.925 > 11 13 Tb 0.25467962935522 0.92402030971912 0.86618395477763 158.925 > 13 14 Tb 0.75467962935522 0.92402030971912 0.86618395477763 158.925 > 13 15 Tb 0.00467962935522 0.92402030971912 0.63381604522237 158.925 > 15 16 Tb 0.50467962935522 0.92402030971912 0.63381604522237 158.925 > 15 17 Tb 0.25467962935522 0.57597969028088 0.86618395477763 158.925 > 17 18 Tb 0.75467962935522 0.57597969028088 0.86618395477763 158.925 > 17 19 Tb 0.49532037064478 0.42402030971912 0.36618395477763 158.925 > 19 20 Tb 0.99532037064478 0.42402030971912 0.36618395477763 158.925 > 19 21 Tb 0.00467962935522 0.57597969028088 0.63381604522237 158.925 > 21 22 Tb 0.50467962935522 0.57597969028088 0.63381604522237 158.925 > 21 23 Tb 0.24532037064478 0.07597969028088 0.13381604522237 158.925 > 23 24 Tb 0.74532037064478 0.07597969028088 0.13381604522237 158.925 > 23 25 Se 0.02060145705453 0.09948438330533 0.87421179903310 78.960 > 25 26 Se 0.52060145705453 0.09948438330533 0.87421179903310 78.960 > 25 27 Se 0.47939854294547 0.59948438330533 0.12578820096690 78.960 > 27 28 Se 0.97939854294547 0.59948438330533 0.12578820096690 78.960 > 27 29 Se 0.27060145705453 0.09948438330533 0.62578820096690 78.960 > 29 30 Se 0.77060145705453 0.09948438330533 0.62578820096690 78.960 > 29 31 Se 0.22939854294547 0.90051561669467 0.37421179903310 78.960 > 31 32 Se 0.72939854294547 0.90051561669467 0.37421179903310 78.960 > 31 33 Se 0.22939854294547 0.59948438330533 0.37421179903310 78.960 > 33 34 Se 0.72939854294547 0.59948438330533 0.37421179903310 78.960 > 33 35 Se 0.47939854294547 0.90051561669467 0.12578820096690 78.960 > 35 36 Se 0.97939854294547 0.90051561669467 0.12578820096690 78.960 > 35 37 Se 0.27060145705453 0.40051561669467 0.62578820096690 78.960 > 37 38 Se 0.77060145705453 0.40051561669467 0.62578820096690 78.960 > 37 39 Se 0.02060145705453 0.40051561669467 0.87421179903310 78.960 > 39 40 Se 0.52060145705453 0.40051561669467 0.87421179903310 78.960 > 39 41 Cl 0.29461160144049 0.75000000000000 0.99825145445238 35.453 > 41 42 Cl 0.79461160144049 0.75000000000000 0.99825145445238 35.453 > 41 43 Cl 0.20538839855951 0.25000000000000 0.00174854554762 35.453 > 43 44 Cl 0.70538839855951 0.25000000000000 0.00174854554762 35.453 > 43 45 Cl 0.04461160144049 0.75000000000000 0.50174854554762 35.453 > 45 46 Cl 0.54461160144049 0.75000000000000 0.50174854554762 35.453 > 45 47 Cl 0.45538839855951 0.25000000000000 0.49825145445238 35.453 > 47 48 Cl 0.95538839855951 0.25000000000000 0.49825145445238 35.453 > 47 49 O 0.09914510636252 0.95093465419514 0.44177952219046 15.999 > 49 50 O 0.59914510636252 0.95093465419514 0.44177952219046 15.999 > 49 51 O 0.06496614760965 0.63007495037552 0.99759925720764 15.999 > 51 52 O 0.56496614760965 0.63007495037552 0.99759925720764 15.999 > 51 53 O 0.18830560205137 0.01030592276013 0.68536513809566 15.999 > 53 54 O 0.68830560205137 0.01030592276013 0.68536513809566 15.999 > 53 55 O 0.11538731712916 0.15821564642392 0.24806379526447 15.999 > 55 56 O 0.61538731712916 0.15821564642392 0.24806379526447 15.999 > 55 57 O 0.18503385239035 0.13007495037552 0.49759925720764 15.999 > 57 58 O 0.68503385239035 0.13007495037552 0.49759925720764 15.999 > 57 59 O 0.43503385239035 0.13007495037552 0.00240074279236 15.999 > 59 60 O 0.93503385239035 0.13007495037552 0.00240074279236 15.999 > 59 61 O 0.43830560205137 0.48969407723987 0.81463486190434 15.999 > 61 62 O 0.93830560205137 0.48969407723987 0.81463486190434 15.999 > 61 63 O 0.06169439794863 0.98969407723987 0.18536513809565 15.999 > 63 64 O 0.56169439794863 0.98969407723987 0.18536513809565 15.999 > 63 65 O 0.31169439794863 0.51030592276013 0.31463486190434 15.999 > 65 66 O 0.81169439794863 0.51030592276013 0.31463486190434 15.999 > 65 67 O 0.13461268287084 0.65821564642392 0.74806379526447 15.999 > 67 68 O 0.63461268287084 0.65821564642392 0.74806379526447 15.999 > 67 69 O 0.40085489363748 0.04906534580486 0.55822047780954 15.999 > 69 70 O 0.90085489363748 0.04906534580486 0.55822047780954 15.999 > 69 71 O 0.13461268287084 0.84178435357608 0.74806379526447 15.999 > 71 72 O 0.63461268287084 0.84178435357608 0.74806379526447 15.999 > 71 73 O 0.38461268287084 0.65821564642392 0.75193620473553 15.999 > 73 74 O 0.88461268287084 0.65821564642392 0.75193620473553 15.999 > 73 75 O 0.36538731712916 0.34178435357608 0.25193620473553 15.999 > 75 76 O 0.86538731712916 0.34178435357608 0.25193620473553 15.999 > 75 77 O 0.34914510636252 0.95093465419514 0.05822047780954 15.999 > 77 78 O 0.84914510636252 0.95093465419514 0.05822047780954 15.999 > 77 79 O 0.31496614760965 0.86992504962448 0.50240074279236 15.999 > 79 80 O 0.81496614760965 0.86992504962448 0.50240074279236 15.999 > 79 81 O 0.31496614760965 0.63007495037552 0.50240074279236 15.999 > 81 82 O 0.81496614760965 0.63007495037552 0.50240074279236 15.999 > 81 83 O 0.38461268287084 0.84178435357608 0.75193620473553 15.999 > 83 84 O 0.88461268287084 0.84178435357608 0.75193620473553 15.999 > 83 85 O 0.11538731712916 0.34178435357608 0.24806379526447 15.999 > 85 86 O 0.61538731712916 0.34178435357608 0.24806379526447 15.999 > 85 87 O 0.31169439794863 0.98969407723987 0.31463486190434 15.999 > 87 88 O 0.81169439794863 0.98969407723987 0.31463486190434 15.999 > 87 89 O 0.09914510636252 0.54906534580486 0.44177952219046 15.999 > 89 90 O 0.59914510636252 0.54906534580486 0.44177952219046 15.999 > 89 91 O 0.34914510636252 0.54906534580486 0.05822047780954 15.999 > 91 92 O 0.84914510636252 0.54906534580486 0.05822047780954 15.999 > 91 93 O 0.36538731712916 0.15821564642392 0.25193620473553 15.999 > 93 94 O 0.86538731712916 0.15821564642392 0.25193620473553 15.999 > 93 95 O 0.18503385239035 0.36992504962447 0.49759925720764 15.999 > 95 96 O 0.68503385239035 0.36992504962447 0.49759925720764 15.999 > 95 97 O 0.06496614760965 0.86992504962448 0.99759925720764 15.999 > 97 98 O 0.56496614760965 0.86992504962448 0.99759925720764 15.999 > 97 99 O 0.40085489363748 0.45093465419514 0.55822047780954 15.999 > 99 100 O 0.90085489363748 0.45093465419514 0.55822047780954 15.999 > 99 101 O 0.15085489363748 0.45093465419514 0.94177952219046 15.999 > 101 102 O 0.65085489363748 0.45093465419514 0.94177952219046 15.999 > 101 103 O 0.43830560205137 0.01030592276013 0.81463486190434 15.999 > 103 104 O 0.93830560205137 0.01030592276013 0.81463486190434 15.999 > 103 105 O 0.43503385239035 0.36992504962447 0.00240074279236 15.999 > 105 106 O 0.93503385239035 0.36992504962447 0.00240074279236 15.999 > 105 107 O 0.06169439794863 0.51030592276013 0.18536513809565 15.999 > 107 108 O 0.56169439794863 0.51030592276013 0.18536513809565 15.999 > 107 109 O 0.15085489363748 0.04906534580486 0.94177952219046 15.999 > 109 110 O 0.65085489363748 0.04906534580486 0.94177952219046 15.999 > 109 111 O 0.18830560205137 0.48969407723987 0.68536513809566 15.999 > 111 112 O 0.68830560205137 0.48969407723987 0.68536513809566 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0157071 0.0000000 0.0000000 0.0000000 3.8393605 0.0000000 0.0000000 0.0000000 3.7608081 -------------------------- Born effective charges -------------------------- 1 Tb 4.3834247 -0.0388175 -0.0299562 0.1398826 4.0268339 -0.3676340 0.1974156 -0.5626051 4.0060405 2 Tb 3.7661814 0.0000000 -0.3773298 0.0000000 4.3572518 0.0000000 0.1392636 -0.0000000 3.3184419 3 Tb 4.3834247 0.0388175 0.0299562 -0.1398826 4.0268339 -0.3676340 -0.1974156 -0.5626051 4.0060405 4 Tb 3.7661814 0.0000000 -0.3773298 0.0000000 4.3572518 0.0000000 0.1392636 -0.0000000 3.3184419 5 Tb 3.7661814 0.0000000 0.3773298 0.0000000 4.3572518 0.0000000 -0.1392636 -0.0000000 3.3184419 6 Tb 3.7661814 0.0000000 0.3773298 0.0000000 4.3572518 0.0000000 -0.1392636 -0.0000000 3.3184419 7 Tb 4.3834247 0.0388175 -0.0299562 -0.1398826 4.0268339 0.3676340 0.1974156 0.5626051 4.0060405 8 Tb 4.3834247 0.0388175 0.0299562 -0.1398826 4.0268339 -0.3676340 -0.1974156 -0.5626051 4.0060405 9 Tb 4.3834247 -0.0388175 -0.0299562 0.1398826 4.0268339 -0.3676340 0.1974156 -0.5626051 4.0060405 10 Tb 4.3834247 -0.0388175 0.0299562 0.1398826 4.0268339 0.3676340 -0.1974156 0.5626051 4.0060405 11 Tb 4.3834247 -0.0388175 0.0299562 0.1398826 4.0268339 0.3676340 -0.1974156 0.5626051 4.0060405 12 Tb 4.3834247 0.0388175 -0.0299562 -0.1398826 4.0268339 0.3676340 0.1974156 0.5626051 4.0060405 13 Se 3.2709734 -0.1207475 0.2494613 -0.1449601 2.4307016 1.0850645 0.2724242 1.2767370 2.8830206 14 Se 3.2709734 0.1207475 0.2494613 0.1449601 2.4307016 -1.0850645 0.2724242 -1.2767370 2.8830206 15 Se 3.2709734 -0.1207475 -0.2494613 -0.1449601 2.4307016 -1.0850645 -0.2724242 -1.2767370 2.8830206 16 Se 3.2709734 -0.1207475 -0.2494613 -0.1449601 2.4307016 -1.0850645 -0.2724242 -1.2767370 2.8830206 17 Se 3.2709734 0.1207475 -0.2494613 0.1449601 2.4307016 1.0850645 -0.2724242 1.2767370 2.8830206 18 Se 3.2709734 -0.1207475 0.2494613 -0.1449601 2.4307016 1.0850645 0.2724242 1.2767370 2.8830206 19 Se 3.2709734 0.1207475 -0.2494613 0.1449601 2.4307016 1.0850645 -0.2724242 1.2767370 2.8830206 20 Se 3.2709734 0.1207475 0.2494613 0.1449601 2.4307016 -1.0850645 0.2724242 -1.2767370 2.8830206 21 Cl -1.3511634 0.0000000 -0.1217628 0.0000000 -1.4522263 0.0000000 -0.0010637 -0.0000000 -1.0065660 22 Cl -1.3511634 0.0000000 -0.1217628 0.0000000 -1.4522263 0.0000000 -0.0010637 -0.0000000 -1.0065660 23 Cl -1.3511634 0.0000000 0.1217628 0.0000000 -1.4522263 0.0000000 0.0010637 -0.0000000 -1.0065660 24 Cl -1.3511634 0.0000000 0.1217628 0.0000000 -1.4522263 0.0000000 0.0010637 -0.0000000 -1.0065660 25 O -2.5959292 1.0503255 0.8822860 0.5499100 -1.6080256 0.1462000 0.4718006 0.2311812 -1.8160733 26 O -1.6800693 -0.0695917 0.9626714 -0.3598590 -1.5052620 1.1768627 0.7349605 0.5916855 -2.2116020 27 O -1.8824579 -0.8948748 0.2213312 -0.7421080 -2.0525547 0.5082628 0.5970127 1.1880573 -1.7538754 28 O -2.7034508 -0.1769338 0.2082015 0.0392109 -2.7442059 0.0567158 0.1660345 -0.0099947 -2.2634483 29 O -1.6800693 0.0695917 -0.9626714 0.3598590 -1.5052620 1.1768627 -0.7349605 0.5916855 -2.2116020 30 O -1.6800693 0.0695917 0.9626714 0.3598590 -1.5052620 -1.1768627 0.7349605 -0.5916855 -2.2116020 31 O -1.8824579 0.8948748 -0.2213312 0.7421080 -2.0525547 0.5082628 -0.5970127 1.1880573 -1.7538754 32 O -1.8824579 -0.8948748 -0.2213312 -0.7421080 -2.0525547 -0.5082628 -0.5970127 -1.1880573 -1.7538754 33 O -1.8824579 0.8948748 0.2213312 0.7421080 -2.0525547 -0.5082628 0.5970127 -1.1880573 -1.7538754 34 O -2.7034508 0.1769338 -0.2082015 -0.0392109 -2.7442059 0.0567158 -0.1660345 -0.0099947 -2.2634483 35 O -2.5959292 1.0503255 0.8822860 0.5499100 -1.6080256 0.1462000 0.4718006 0.2311812 -1.8160733 36 O -2.7034508 -0.1769338 -0.2082015 0.0392109 -2.7442059 -0.0567158 -0.1660345 0.0099947 -2.2634483 37 O -2.7034508 0.1769338 0.2082015 -0.0392109 -2.7442059 -0.0567158 0.1660345 0.0099947 -2.2634483 38 O -2.7034508 0.1769338 -0.2082015 -0.0392109 -2.7442059 0.0567158 -0.1660345 -0.0099947 -2.2634483 39 O -2.5959292 1.0503255 -0.8822860 0.5499100 -1.6080256 -0.1462000 -0.4718006 -0.2311812 -1.8160733 40 O -1.6800693 0.0695917 -0.9626714 0.3598590 -1.5052620 1.1768627 -0.7349605 0.5916855 -2.2116020 41 O -1.6800693 -0.0695917 -0.9626714 -0.3598590 -1.5052620 -1.1768627 -0.7349605 -0.5916855 -2.2116020 42 O -2.7034508 -0.1769338 0.2082015 0.0392109 -2.7442059 0.0567158 0.1660345 -0.0099947 -2.2634483 43 O -2.7034508 0.1769338 0.2082015 -0.0392109 -2.7442059 -0.0567158 0.1660345 0.0099947 -2.2634483 44 O -1.8824579 -0.8948748 0.2213312 -0.7421080 -2.0525547 0.5082628 0.5970127 1.1880573 -1.7538754 45 O -2.5959292 -1.0503255 0.8822860 -0.5499100 -1.6080256 -0.1462000 0.4718006 -0.2311812 -1.8160733 46 O -2.5959292 -1.0503255 -0.8822860 -0.5499100 -1.6080256 0.1462000 -0.4718006 0.2311812 -1.8160733 47 O -2.7034508 -0.1769338 -0.2082015 0.0392109 -2.7442059 -0.0567158 -0.1660345 0.0099947 -2.2634483 48 O -1.6800693 -0.0695917 -0.9626714 -0.3598590 -1.5052620 -1.1768627 -0.7349605 -0.5916855 -2.2116020 49 O -1.6800693 0.0695917 0.9626714 0.3598590 -1.5052620 -1.1768627 0.7349605 -0.5916855 -2.2116020 50 O -2.5959292 -1.0503255 0.8822860 -0.5499100 -1.6080256 -0.1462000 0.4718006 -0.2311812 -1.8160733 51 O -2.5959292 -1.0503255 -0.8822860 -0.5499100 -1.6080256 0.1462000 -0.4718006 0.2311812 -1.8160733 52 O -1.8824579 -0.8948748 -0.2213312 -0.7421080 -2.0525547 -0.5082628 -0.5970127 -1.1880573 -1.7538754 53 O -1.6800693 -0.0695917 0.9626714 -0.3598590 -1.5052620 1.1768627 0.7349605 0.5916855 -2.2116020 54 O -1.8824579 0.8948748 -0.2213312 0.7421080 -2.0525547 0.5082628 -0.5970127 1.1880573 -1.7538754 55 O -2.5959292 1.0503255 -0.8822860 0.5499100 -1.6080256 -0.1462000 -0.4718006 -0.2311812 -1.8160733 56 O -1.8824579 0.8948748 0.2213312 0.7421080 -2.0525547 -0.5082628 0.5970127 -1.1880573 -1.7538754 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) 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 ... [ 9 3 5 ] 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: 0.44, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.062 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 11.112 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 12.889 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.768 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 13.907 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.150 ( 0.000 0.000 0.000) 0.000 15.547 ( 0.000 0.000 0.000) 0.000 16.476 ( 0.000 0.000 0.000) 0.000 16.888 ( 0.000 0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 18.047 ( 0.000 0.000 0.000) 0.000 18.096 ( 0.000 0.000 0.000) 0.000 18.622 ( 0.000 0.000 0.000) 0.000 19.410 ( 0.000 0.000 0.000) 0.000 19.418 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 19.763 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 19.926 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 20.709 ( 0.000 0.000 0.000) 0.000 20.868 ( 0.000 0.000 0.000) 0.000 21.005 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 21.487 ( 0.000 0.000 0.000) 0.000 21.584 ( 0.000 0.000 0.000) 0.000 21.734 ( 0.000 0.000 0.000) 0.000 22.030 ( 0.000 0.000 0.000) 0.000 23.296 ( 0.000 0.000 0.000) 0.000 23.479 ( 0.000 0.000 0.000) 0.000 23.546 ( 0.000 0.000 0.000) 0.000 23.657 ( 0.000 0.000 0.000) 0.000 23.723 ( 0.000 0.000 0.000) 0.000 23.838 ( 0.000 0.000 0.000) 0.000 23.926 ( 0.000 0.000 0.000) 0.000 24.080 ( 0.000 0.000 0.000) 0.000 24.105 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 19.656 0.000 0.000) 19.656 0.479 ( 20.103 0.000 0.000) 20.103 0.725 ( 33.718 0.000 0.000) 33.718 1.151 ( 8.118 0.000 0.000) 8.118 1.456 ( -7.137 0.000 0.000) 7.137 1.670 ( 13.803 0.000 0.000) 13.803 1.949 ( -1.147 0.000 0.000) 1.147 2.047 ( 0.963 0.000 0.000) 0.963 2.083 ( -5.912 0.000 0.000) 5.912 2.120 ( -0.180 0.000 0.000) 0.180 2.366 ( 3.000 0.000 0.000) 3.000 2.371 ( 20.135 0.000 0.000) 20.135 2.388 ( -0.038 0.000 0.000) 0.038 2.517 ( 3.983 0.000 0.000) 3.983 2.649 ( -0.636 0.000 0.000) 0.636 2.721 ( -10.055 0.000 0.000) 10.055 2.832 ( -1.556 0.000 0.000) 1.556 2.876 ( 1.651 0.000 0.000) 1.651 2.893 ( 2.189 0.000 0.000) 2.189 2.900 ( 15.213 0.000 0.000) 15.213 3.137 ( 1.558 0.000 0.000) 1.558 3.154 ( -8.176 0.000 0.000) 8.176 3.192 ( 8.362 0.000 0.000) 8.362 3.259 ( -2.126 0.000 0.000) 2.126 3.289 ( 1.233 0.000 0.000) 1.233 3.365 ( 1.825 0.000 0.000) 1.825 3.413 ( -2.935 0.000 0.000) 2.935 3.433 ( -1.679 0.000 0.000) 1.679 3.455 ( 3.486 0.000 0.000) 3.486 3.503 ( -11.014 0.000 0.000) 11.014 3.565 ( 2.953 0.000 0.000) 2.953 3.577 ( -1.583 0.000 0.000) 1.583 3.634 ( -4.693 0.000 0.000) 4.693 3.740 ( -0.454 0.000 0.000) 0.454 3.757 ( 0.195 0.000 0.000) 0.195 3.774 ( -4.469 0.000 0.000) 4.469 3.859 ( 5.426 0.000 0.000) 5.426 3.880 ( -5.570 0.000 0.000) 5.570 3.981 ( -0.545 0.000 0.000) 0.545 4.023 ( 6.349 0.000 0.000) 6.349 4.027 ( -5.082 0.000 0.000) 5.082 4.115 ( 9.309 0.000 0.000) 9.309 4.196 ( 1.003 0.000 0.000) 1.003 4.212 ( -10.976 0.000 0.000) 10.976 4.215 ( -0.741 0.000 0.000) 0.741 4.315 ( 3.969 0.000 0.000) 3.969 4.330 ( -6.508 0.000 0.000) 6.508 4.331 ( 2.054 0.000 0.000) 2.054 4.513 ( -11.137 0.000 0.000) 11.137 4.575 ( -4.184 0.000 0.000) 4.184 4.622 ( -0.263 0.000 0.000) 0.263 4.626 ( -9.160 0.000 0.000) 9.160 4.666 ( -5.460 0.000 0.000) 5.460 4.717 ( 2.749 0.000 0.000) 2.749 4.739 ( 0.887 0.000 0.000) 0.887 4.848 ( 12.485 0.000 0.000) 12.485 4.874 ( 0.060 0.000 0.000) 0.060 4.946 ( 2.928 0.000 0.000) 2.928 5.028 ( -4.158 0.000 0.000) 4.158 5.043 ( 1.592 0.000 0.000) 1.592 5.103 ( -2.784 0.000 0.000) 2.784 5.129 ( 3.471 0.000 0.000) 3.471 5.294 ( 1.929 0.000 0.000) 1.929 5.449 ( 6.541 0.000 0.000) 6.541 5.588 ( 7.938 0.000 0.000) 7.938 5.725 ( 2.613 0.000 0.000) 2.613 5.772 ( 11.855 0.000 0.000) 11.855 5.824 ( 5.893 0.000 0.000) 5.893 5.867 ( 0.240 0.000 0.000) 0.240 5.924 ( 4.546 0.000 0.000) 4.546 5.998 ( -3.300 0.000 0.000) 3.300 6.155 ( -6.834 0.000 0.000) 6.834 6.241 ( -4.892 0.000 0.000) 4.892 6.246 ( 1.229 0.000 0.000) 1.229 6.300 ( 2.756 0.000 0.000) 2.756 6.382 ( -0.966 0.000 0.000) 0.966 6.530 ( -13.170 0.000 0.000) 13.170 6.591 ( 2.746 0.000 0.000) 2.746 6.602 ( -0.674 0.000 0.000) 0.674 6.701 ( -1.251 0.000 0.000) 1.251 6.769 ( -1.109 0.000 0.000) 1.109 6.804 ( 0.869 0.000 0.000) 0.869 6.937 ( 3.326 0.000 0.000) 3.326 7.042 ( 3.268 0.000 0.000) 3.268 7.099 ( -1.837 0.000 0.000) 1.837 7.132 ( 0.666 0.000 0.000) 0.666 7.239 ( 3.317 0.000 0.000) 3.317 7.306 ( -0.860 0.000 0.000) 0.860 7.891 ( 0.463 0.000 0.000) 0.463 8.009 ( 1.743 0.000 0.000) 1.743 8.141 ( -0.002 0.000 0.000) 0.002 8.240 ( -0.840 0.000 0.000) 0.840 8.285 ( -1.792 0.000 0.000) 1.792 8.345 ( -0.412 0.000 0.000) 0.412 8.446 ( -5.098 0.000 0.000) 5.098 8.549 ( -3.471 0.000 0.000) 3.471 9.940 ( -1.242 0.000 0.000) 1.242 10.018 ( -1.318 0.000 0.000) 1.318 10.287 ( -5.129 0.000 0.000) 5.129 10.387 ( -8.572 0.000 0.000) 8.572 10.466 ( -1.875 0.000 0.000) 1.875 10.598 ( -0.821 0.000 0.000) 0.821 10.731 ( -4.124 0.000 0.000) 4.124 10.768 ( -3.552 0.000 0.000) 3.552 11.169 ( 15.628 0.000 0.000) 15.628 11.277 ( 18.919 0.000 0.000) 18.919 11.316 ( 16.985 0.000 0.000) 16.985 11.389 ( 11.507 0.000 0.000) 11.507 11.411 ( 4.585 0.000 0.000) 4.585 11.510 ( 3.621 0.000 0.000) 3.621 11.591 ( 1.123 0.000 0.000) 1.123 11.804 ( 3.791 0.000 0.000) 3.791 11.921 ( 9.902 0.000 0.000) 9.902 11.967 ( -4.006 0.000 0.000) 4.006 12.244 ( 1.793 0.000 0.000) 1.793 12.319 ( -4.240 0.000 0.000) 4.240 12.388 ( -2.296 0.000 0.000) 2.296 12.445 ( -3.531 0.000 0.000) 3.531 12.496 ( 2.922 0.000 0.000) 2.922 12.541 ( 2.585 0.000 0.000) 2.585 12.592 ( 5.864 0.000 0.000) 5.864 12.657 ( 2.354 0.000 0.000) 2.354 12.758 ( 10.265 0.000 0.000) 10.265 12.807 ( -1.065 0.000 0.000) 1.065 12.917 ( 3.042 0.000 0.000) 3.042 13.407 ( 12.447 0.000 0.000) 12.447 13.425 ( 1.346 0.000 0.000) 1.346 13.436 ( 1.700 0.000 0.000) 1.700 13.541 ( 1.383 0.000 0.000) 1.383 13.694 ( -7.063 0.000 0.000) 7.063 13.750 ( 11.650 0.000 0.000) 11.650 13.866 ( 3.824 0.000 0.000) 3.824 13.869 ( -3.001 0.000 0.000) 3.001 13.942 ( -0.345 0.000 0.000) 0.345 14.002 ( 2.709 0.000 0.000) 2.709 14.887 ( -20.934 0.000 0.000) 20.934 15.005 ( -4.609 0.000 0.000) 4.609 15.372 ( -14.826 0.000 0.000) 14.826 16.439 ( -3.426 0.000 0.000) 3.426 17.268 ( -9.868 0.000 0.000) 9.868 17.563 ( -10.804 0.000 0.000) 10.804 17.928 ( -11.311 0.000 0.000) 11.311 18.024 ( -6.865 0.000 0.000) 6.865 18.519 ( -9.906 0.000 0.000) 9.906 19.410 ( 0.672 0.000 0.000) 0.672 19.421 ( 1.120 0.000 0.000) 1.120 19.633 ( 0.409 0.000 0.000) 0.409 19.773 ( 0.288 0.000 0.000) 0.288 20.074 ( 23.320 0.000 0.000) 23.320 20.592 ( 2.565 0.000 0.000) 2.565 20.752 ( 4.948 0.000 0.000) 4.948 20.989 ( 8.696 0.000 0.000) 8.696 21.106 ( 10.021 0.000 0.000) 10.021 21.210 ( 0.045 0.000 0.000) 0.045 21.509 ( -6.532 0.000 0.000) 6.532 21.538 ( 4.828 0.000 0.000) 4.828 21.741 ( 1.421 0.000 0.000) 1.421 21.985 ( -3.911 0.000 0.000) 3.911 22.411 ( -0.109 0.000 0.000) 0.109 23.124 ( -15.373 0.000 0.000) 15.373 23.481 ( 0.314 0.000 0.000) 0.314 23.568 ( 2.043 0.000 0.000) 2.043 23.667 ( 0.777 0.000 0.000) 0.777 23.741 ( 1.568 0.000 0.000) 1.568 23.796 ( -3.421 0.000 0.000) 3.421 23.918 ( -1.176 0.000 0.000) 1.176 24.082 ( -2.616 0.000 0.000) 2.616 24.196 ( -2.106 0.000 0.000) 2.106 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 18.175 0.000 0.000) 18.175 0.844 ( 17.201 0.000 0.000) 17.201 1.345 ( 23.054 0.000 0.000) 23.054 1.376 ( 12.643 0.000 0.000) 12.643 1.564 ( 15.082 0.000 0.000) 15.082 1.781 ( 1.938 0.000 0.000) 1.938 1.945 ( 0.703 0.000 0.000) 0.703 2.097 ( 4.861 0.000 0.000) 4.861 2.126 ( 1.893 0.000 0.000) 1.893 2.283 ( 20.167 0.000 0.000) 20.167 2.380 ( -1.056 0.000 0.000) 1.056 2.448 ( 3.983 0.000 0.000) 3.983 2.516 ( -2.719 0.000 0.000) 2.719 2.550 ( -5.852 0.000 0.000) 5.852 2.680 ( 5.736 0.000 0.000) 5.736 2.725 ( 7.953 0.000 0.000) 7.953 2.843 ( 4.782 0.000 0.000) 4.782 2.886 ( -11.864 0.000 0.000) 11.864 2.918 ( -0.691 0.000 0.000) 0.691 3.013 ( 8.925 0.000 0.000) 8.925 3.081 ( -1.752 0.000 0.000) 1.752 3.163 ( 1.067 0.000 0.000) 1.067 3.184 ( -3.967 0.000 0.000) 3.967 3.256 ( -3.901 0.000 0.000) 3.901 3.340 ( -2.002 0.000 0.000) 2.002 3.355 ( -3.084 0.000 0.000) 3.084 3.367 ( -1.246 0.000 0.000) 1.246 3.392 ( 1.744 0.000 0.000) 1.744 3.457 ( -4.571 0.000 0.000) 4.571 3.466 ( 5.600 0.000 0.000) 5.600 3.534 ( -4.026 0.000 0.000) 4.026 3.592 ( 5.049 0.000 0.000) 5.049 3.604 ( 0.843 0.000 0.000) 0.843 3.682 ( -4.655 0.000 0.000) 4.655 3.730 ( -0.237 0.000 0.000) 0.237 3.761 ( -5.768 0.000 0.000) 5.768 3.773 ( 0.956 0.000 0.000) 0.956 3.909 ( -0.316 0.000 0.000) 0.316 3.917 ( -5.399 0.000 0.000) 5.399 4.011 ( 3.139 0.000 0.000) 3.139 4.039 ( -4.081 0.000 0.000) 4.081 4.178 ( -6.513 0.000 0.000) 6.513 4.179 ( 6.825 0.000 0.000) 6.825 4.180 ( -1.126 0.000 0.000) 1.126 4.243 ( 3.544 0.000 0.000) 3.544 4.247 ( 0.496 0.000 0.000) 0.496 4.266 ( -8.633 0.000 0.000) 8.633 4.366 ( 1.092 0.000 0.000) 1.092 4.387 ( 2.620 0.000 0.000) 2.620 4.452 ( -5.624 0.000 0.000) 5.624 4.530 ( 2.734 0.000 0.000) 2.734 4.557 ( -4.435 0.000 0.000) 4.435 4.649 ( 1.687 0.000 0.000) 1.687 4.748 ( -1.614 0.000 0.000) 1.614 4.784 ( 3.527 0.000 0.000) 3.527 4.856 ( -0.647 0.000 0.000) 0.647 4.896 ( -6.247 0.000 0.000) 6.247 4.985 ( -1.003 0.000 0.000) 1.003 5.031 ( 4.480 0.000 0.000) 4.480 5.060 ( -2.786 0.000 0.000) 2.786 5.070 ( 0.671 0.000 0.000) 0.671 5.269 ( 10.091 0.000 0.000) 10.091 5.365 ( 4.094 0.000 0.000) 4.094 5.531 ( 1.042 0.000 0.000) 1.042 5.695 ( 1.706 0.000 0.000) 1.706 5.754 ( 1.374 0.000 0.000) 1.374 5.859 ( -0.539 0.000 0.000) 0.539 5.891 ( -7.003 0.000 0.000) 7.003 6.025 ( 9.996 0.000 0.000) 9.996 6.039 ( 10.989 0.000 0.000) 10.989 6.049 ( -2.547 0.000 0.000) 2.547 6.052 ( 7.173 0.000 0.000) 7.173 6.108 ( -6.260 0.000 0.000) 6.260 6.235 ( -13.457 0.000 0.000) 13.457 6.258 ( -0.280 0.000 0.000) 0.280 6.387 ( 5.293 0.000 0.000) 5.293 6.397 ( 3.383 0.000 0.000) 3.383 6.575 ( -1.915 0.000 0.000) 1.915 6.637 ( 1.959 0.000 0.000) 1.959 6.664 ( -1.955 0.000 0.000) 1.955 6.720 ( -3.433 0.000 0.000) 3.433 6.834 ( 1.811 0.000 0.000) 1.811 6.989 ( 1.732 0.000 0.000) 1.732 7.074 ( -0.258 0.000 0.000) 0.258 7.119 ( 3.451 0.000 0.000) 3.451 7.141 ( -0.047 0.000 0.000) 0.047 7.280 ( -1.540 0.000 0.000) 1.540 7.313 ( 3.157 0.000 0.000) 3.157 7.906 ( 0.939 0.000 0.000) 0.939 8.045 ( 1.581 0.000 0.000) 1.581 8.143 ( 0.146 0.000 0.000) 0.146 8.217 ( -1.295 0.000 0.000) 1.295 8.264 ( -0.064 0.000 0.000) 0.064 8.308 ( -7.556 0.000 0.000) 7.556 8.335 ( -0.589 0.000 0.000) 0.589 8.448 ( -5.906 0.000 0.000) 5.906 9.909 ( -1.458 0.000 0.000) 1.458 9.986 ( -1.484 0.000 0.000) 1.484 10.168 ( -5.738 0.000 0.000) 5.738 10.223 ( -6.720 0.000 0.000) 6.720 10.409 ( -3.138 0.000 0.000) 3.138 10.546 ( -3.452 0.000 0.000) 3.452 10.623 ( -5.743 0.000 0.000) 5.743 10.669 ( -5.535 0.000 0.000) 5.535 11.455 ( 7.241 0.000 0.000) 7.241 11.538 ( 7.053 0.000 0.000) 7.053 11.617 ( 6.447 0.000 0.000) 6.447 11.653 ( 9.295 0.000 0.000) 9.295 11.655 ( 14.159 0.000 0.000) 14.159 11.742 ( 21.012 0.000 0.000) 21.012 11.767 ( 21.036 0.000 0.000) 21.036 11.867 ( -4.963 0.000 0.000) 4.963 11.923 ( 8.257 0.000 0.000) 8.257 12.104 ( 6.454 0.000 0.000) 6.454 12.226 ( -4.450 0.000 0.000) 4.450 12.294 ( 2.354 0.000 0.000) 2.354 12.373 ( -3.216 0.000 0.000) 3.216 12.434 ( 6.405 0.000 0.000) 6.405 12.548 ( 1.943 0.000 0.000) 1.943 12.587 ( 0.923 0.000 0.000) 0.923 12.693 ( 1.071 0.000 0.000) 1.071 12.721 ( 4.293 0.000 0.000) 4.293 12.781 ( -1.339 0.000 0.000) 1.339 12.916 ( 4.735 0.000 0.000) 4.735 13.039 ( 8.766 0.000 0.000) 8.766 13.467 ( 2.822 0.000 0.000) 2.822 13.477 ( 1.952 0.000 0.000) 1.952 13.503 ( -9.985 0.000 0.000) 9.985 13.568 ( 1.334 0.000 0.000) 1.334 13.799 ( -3.661 0.000 0.000) 3.661 13.873 ( 30.752 0.000 0.000) 30.752 13.912 ( -3.358 0.000 0.000) 3.358 14.031 ( -2.275 0.000 0.000) 2.275 14.049 ( 15.551 0.000 0.000) 15.551 14.094 ( 20.146 0.000 0.000) 20.146 14.487 ( -12.409 0.000 0.000) 12.409 14.813 ( -13.403 0.000 0.000) 13.403 15.103 ( -6.659 0.000 0.000) 6.659 16.347 ( -4.752 0.000 0.000) 4.752 17.015 ( -12.898 0.000 0.000) 12.898 17.229 ( -21.116 0.000 0.000) 21.116 17.580 ( -21.834 0.000 0.000) 21.834 17.808 ( -13.772 0.000 0.000) 13.772 18.213 ( -19.119 0.000 0.000) 19.119 19.453 ( 3.324 0.000 0.000) 3.324 19.482 ( 4.474 0.000 0.000) 4.474 19.648 ( 0.725 0.000 0.000) 0.725 19.775 ( -0.255 0.000 0.000) 0.255 20.514 ( 15.874 0.000 0.000) 15.874 20.628 ( 2.043 0.000 0.000) 2.043 20.865 ( 4.624 0.000 0.000) 4.624 21.076 ( -0.087 0.000 0.000) 0.087 21.267 ( 3.499 0.000 0.000) 3.499 21.351 ( -7.673 0.000 0.000) 7.673 21.417 ( 18.393 0.000 0.000) 18.393 21.636 ( 0.332 0.000 0.000) 0.332 21.849 ( 9.809 0.000 0.000) 9.809 21.932 ( 2.698 0.000 0.000) 2.698 22.331 ( -10.014 0.000 0.000) 10.014 22.793 ( -12.366 0.000 0.000) 12.366 23.496 ( 1.130 0.000 0.000) 1.130 23.626 ( 3.317 0.000 0.000) 3.317 23.679 ( 0.128 0.000 0.000) 0.128 23.717 ( -3.851 0.000 0.000) 3.851 23.780 ( 2.046 0.000 0.000) 2.046 23.868 ( -3.571 0.000 0.000) 3.571 24.000 ( -4.754 0.000 0.000) 4.754 24.140 ( -3.370 0.000 0.000) 3.370 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 15.579 0.000 0.000) 15.579 1.248 ( 20.508 0.000 0.000) 20.508 1.625 ( 6.226 0.000 0.000) 6.226 1.639 ( 11.306 0.000 0.000) 11.306 1.919 ( 15.855 0.000 0.000) 15.855 1.933 ( 9.284 0.000 0.000) 9.284 1.984 ( 3.406 0.000 0.000) 3.406 2.214 ( 6.320 0.000 0.000) 6.320 2.262 ( 10.070 0.000 0.000) 10.070 2.340 ( -2.359 0.000 0.000) 2.359 2.463 ( -3.561 0.000 0.000) 3.561 2.467 ( -3.040 0.000 0.000) 3.040 2.490 ( 0.389 0.000 0.000) 0.389 2.618 ( 5.926 0.000 0.000) 5.926 2.700 ( 0.012 0.000 0.000) 0.012 2.853 ( 14.306 0.000 0.000) 14.306 2.872 ( -2.561 0.000 0.000) 2.561 2.887 ( 5.720 0.000 0.000) 5.720 2.956 ( 4.158 0.000 0.000) 4.158 2.960 ( -7.887 0.000 0.000) 7.887 3.120 ( -4.345 0.000 0.000) 4.345 3.145 ( -4.837 0.000 0.000) 4.837 3.170 ( -1.108 0.000 0.000) 1.108 3.180 ( -0.490 0.000 0.000) 0.490 3.191 ( -3.831 0.000 0.000) 3.831 3.231 ( -6.096 0.000 0.000) 6.096 3.273 ( -3.770 0.000 0.000) 3.770 3.429 ( 0.544 0.000 0.000) 0.544 3.449 ( -4.312 0.000 0.000) 4.312 3.459 ( -3.375 0.000 0.000) 3.375 3.495 ( 2.725 0.000 0.000) 2.725 3.555 ( -2.723 0.000 0.000) 2.723 3.608 ( -0.551 0.000 0.000) 0.551 3.660 ( -2.170 0.000 0.000) 2.170 3.703 ( -2.544 0.000 0.000) 2.544 3.767 ( -1.858 0.000 0.000) 1.858 3.796 ( -5.582 0.000 0.000) 5.582 3.823 ( 10.978 0.000 0.000) 10.978 3.873 ( -1.895 0.000 0.000) 1.895 4.037 ( -2.810 0.000 0.000) 2.810 4.055 ( 3.814 0.000 0.000) 3.814 4.130 ( -6.044 0.000 0.000) 6.044 4.151 ( -5.021 0.000 0.000) 5.021 4.166 ( 7.262 0.000 0.000) 7.262 4.177 ( -6.113 0.000 0.000) 6.113 4.220 ( 3.235 0.000 0.000) 3.235 4.318 ( 4.138 0.000 0.000) 4.138 4.374 ( -0.689 0.000 0.000) 0.689 4.476 ( 4.420 0.000 0.000) 4.420 4.497 ( -1.351 0.000 0.000) 1.351 4.532 ( 10.057 0.000 0.000) 10.057 4.622 ( -4.200 0.000 0.000) 4.200 4.639 ( 5.938 0.000 0.000) 5.938 4.726 ( 0.370 0.000 0.000) 0.370 4.763 ( -5.570 0.000 0.000) 5.570 4.856 ( 0.656 0.000 0.000) 0.656 4.882 ( 6.225 0.000 0.000) 6.225 4.934 ( -3.681 0.000 0.000) 3.681 4.970 ( -5.342 0.000 0.000) 5.342 5.061 ( -1.468 0.000 0.000) 1.468 5.073 ( 0.317 0.000 0.000) 0.317 5.440 ( 3.482 0.000 0.000) 3.482 5.494 ( -4.019 0.000 0.000) 4.019 5.498 ( 10.683 0.000 0.000) 10.683 5.644 ( -5.986 0.000 0.000) 5.986 5.698 ( -11.574 0.000 0.000) 11.574 5.776 ( -0.461 0.000 0.000) 0.461 5.895 ( 3.444 0.000 0.000) 3.444 5.938 ( -7.134 0.000 0.000) 7.134 5.978 ( -9.247 0.000 0.000) 9.247 6.032 ( 0.921 0.000 0.000) 0.921 6.187 ( 4.389 0.000 0.000) 4.389 6.189 ( 3.989 0.000 0.000) 3.989 6.244 ( 5.084 0.000 0.000) 5.084 6.253 ( 1.851 0.000 0.000) 1.851 6.499 ( 4.742 0.000 0.000) 4.742 6.524 ( -2.809 0.000 0.000) 2.809 6.545 ( 8.137 0.000 0.000) 8.137 6.642 ( 1.197 0.000 0.000) 1.197 6.665 ( -0.388 0.000 0.000) 0.388 6.691 ( 3.520 0.000 0.000) 3.520 6.862 ( 0.253 0.000 0.000) 0.253 7.014 ( 0.967 0.000 0.000) 0.967 7.083 ( 0.781 0.000 0.000) 0.781 7.128 ( -1.053 0.000 0.000) 1.053 7.164 ( 0.459 0.000 0.000) 0.459 7.248 ( -1.300 0.000 0.000) 1.300 7.347 ( -0.275 0.000 0.000) 0.275 7.928 ( 1.150 0.000 0.000) 1.150 8.078 ( 1.694 0.000 0.000) 1.694 8.148 ( 0.357 0.000 0.000) 0.357 8.151 ( -6.835 0.000 0.000) 6.835 8.191 ( -1.276 0.000 0.000) 1.276 8.275 ( 0.915 0.000 0.000) 0.915 8.312 ( -5.127 0.000 0.000) 5.127 8.326 ( -1.818 0.000 0.000) 1.818 9.889 ( -0.307 0.000 0.000) 0.307 9.966 ( -0.185 0.000 0.000) 0.185 10.055 ( -5.057 0.000 0.000) 5.057 10.109 ( -4.386 0.000 0.000) 4.386 10.359 ( -1.214 0.000 0.000) 1.214 10.474 ( -3.024 0.000 0.000) 3.024 10.507 ( -5.100 0.000 0.000) 5.100 10.553 ( -5.268 0.000 0.000) 5.268 11.514 ( 1.226 0.000 0.000) 1.226 11.656 ( 1.248 0.000 0.000) 1.248 11.768 ( 8.001 0.000 0.000) 8.001 11.816 ( 2.997 0.000 0.000) 2.997 11.861 ( 9.183 0.000 0.000) 9.183 11.905 ( 8.311 0.000 0.000) 8.311 12.005 ( 5.072 0.000 0.000) 5.072 12.138 ( -3.846 0.000 0.000) 3.846 12.163 ( 17.715 0.000 0.000) 17.715 12.187 ( 10.062 0.000 0.000) 10.062 12.268 ( 11.763 0.000 0.000) 11.763 12.308 ( -3.274 0.000 0.000) 3.274 12.329 ( 1.259 0.000 0.000) 1.259 12.546 ( -4.823 0.000 0.000) 4.823 12.575 ( 0.509 0.000 0.000) 0.509 12.599 ( 8.691 0.000 0.000) 8.691 12.713 ( 0.755 0.000 0.000) 0.755 12.716 ( -3.683 0.000 0.000) 3.683 12.748 ( -1.988 0.000 0.000) 1.988 13.003 ( 4.986 0.000 0.000) 4.986 13.192 ( 3.477 0.000 0.000) 3.477 13.325 ( -6.363 0.000 0.000) 6.363 13.506 ( 0.284 0.000 0.000) 0.284 13.543 ( 3.563 0.000 0.000) 3.563 13.588 ( 0.559 0.000 0.000) 0.559 13.721 ( -3.666 0.000 0.000) 3.666 13.772 ( -13.892 0.000 0.000) 13.892 13.792 ( -16.211 0.000 0.000) 16.211 14.500 ( 23.466 0.000 0.000) 23.466 14.519 ( 18.488 0.000 0.000) 18.488 14.565 ( 31.477 0.000 0.000) 31.477 14.619 ( 30.523 0.000 0.000) 30.523 14.663 ( 1.022 0.000 0.000) 1.022 15.068 ( 1.735 0.000 0.000) 1.735 16.288 ( 1.091 0.000 0.000) 1.091 16.688 ( -30.421 0.000 0.000) 30.421 16.796 ( -6.192 0.000 0.000) 6.192 17.022 ( -31.379 0.000 0.000) 31.379 17.452 ( -20.119 0.000 0.000) 20.119 17.740 ( -25.442 0.000 0.000) 25.442 19.532 ( 3.814 0.000 0.000) 3.814 19.586 ( 4.967 0.000 0.000) 4.967 19.656 ( -0.083 0.000 0.000) 0.083 19.761 ( -1.080 0.000 0.000) 1.080 20.697 ( 4.450 0.000 0.000) 4.450 20.729 ( 5.842 0.000 0.000) 5.842 20.944 ( 3.518 0.000 0.000) 3.518 21.074 ( 0.716 0.000 0.000) 0.716 21.213 ( -5.260 0.000 0.000) 5.260 21.302 ( 1.018 0.000 0.000) 1.018 21.494 ( -10.930 0.000 0.000) 10.930 21.807 ( 17.635 0.000 0.000) 17.635 21.995 ( -19.100 0.000 0.000) 19.100 22.104 ( 9.415 0.000 0.000) 9.415 22.114 ( 13.813 0.000 0.000) 13.813 22.648 ( -3.958 0.000 0.000) 3.958 23.527 ( 1.767 0.000 0.000) 1.767 23.643 ( -3.051 0.000 0.000) 3.051 23.669 ( -0.957 0.000 0.000) 0.957 23.698 ( 3.324 0.000 0.000) 3.324 23.779 ( -4.638 0.000 0.000) 4.638 23.824 ( 2.273 0.000 0.000) 2.273 23.901 ( -4.497 0.000 0.000) 4.497 24.057 ( -4.362 0.000 0.000) 4.362 ======================= Grid point 4 (5/30) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 12.141 0.000 0.000) 12.141 1.632 ( 14.405 0.000 0.000) 14.405 1.649 ( -4.776 0.000 0.000) 4.776 1.783 ( 0.694 0.000 0.000) 0.694 2.072 ( 4.283 0.000 0.000) 4.283 2.074 ( 3.872 0.000 0.000) 3.872 2.170 ( 8.518 0.000 0.000) 8.518 2.290 ( -3.041 0.000 0.000) 3.041 2.333 ( 3.405 0.000 0.000) 3.405 2.392 ( -3.740 0.000 0.000) 3.740 2.415 ( 0.505 0.000 0.000) 0.505 2.429 ( 2.533 0.000 0.000) 2.533 2.552 ( 6.568 0.000 0.000) 6.568 2.661 ( -2.405 0.000 0.000) 2.405 2.758 ( 5.591 0.000 0.000) 5.591 2.817 ( -7.024 0.000 0.000) 7.024 2.822 ( -4.470 0.000 0.000) 4.470 2.840 ( -1.110 0.000 0.000) 1.110 3.017 ( 0.997 0.000 0.000) 0.997 3.027 ( -2.860 0.000 0.000) 2.860 3.035 ( 2.745 0.000 0.000) 2.745 3.087 ( 0.385 0.000 0.000) 0.385 3.089 ( -4.139 0.000 0.000) 4.139 3.150 ( -3.081 0.000 0.000) 3.081 3.158 ( -1.678 0.000 0.000) 1.678 3.212 ( -0.435 0.000 0.000) 0.435 3.282 ( 3.375 0.000 0.000) 3.375 3.379 ( -5.107 0.000 0.000) 5.107 3.409 ( 2.355 0.000 0.000) 2.355 3.434 ( -1.014 0.000 0.000) 1.014 3.444 ( 3.288 0.000 0.000) 3.288 3.553 ( -5.109 0.000 0.000) 5.109 3.673 ( 4.286 0.000 0.000) 4.286 3.697 ( 4.777 0.000 0.000) 4.777 3.720 ( -1.328 0.000 0.000) 1.328 3.723 ( -1.377 0.000 0.000) 1.377 3.732 ( 9.676 0.000 0.000) 9.676 3.796 ( -3.118 0.000 0.000) 3.118 3.925 ( -7.623 0.000 0.000) 7.623 3.957 ( -11.232 0.000 0.000) 11.232 4.034 ( 8.016 0.000 0.000) 8.016 4.044 ( -1.182 0.000 0.000) 1.182 4.068 ( -3.432 0.000 0.000) 3.432 4.189 ( -6.657 0.000 0.000) 6.657 4.218 ( 7.087 0.000 0.000) 7.087 4.337 ( -3.016 0.000 0.000) 3.016 4.379 ( 11.141 0.000 0.000) 11.141 4.391 ( 3.591 0.000 0.000) 3.591 4.466 ( -2.580 0.000 0.000) 2.580 4.548 ( 2.768 0.000 0.000) 2.768 4.559 ( -4.246 0.000 0.000) 4.246 4.610 ( -3.069 0.000 0.000) 3.069 4.720 ( 1.028 0.000 0.000) 1.028 4.755 ( 4.822 0.000 0.000) 4.822 4.802 ( 7.273 0.000 0.000) 7.273 4.813 ( -5.956 0.000 0.000) 5.956 4.854 ( -2.153 0.000 0.000) 2.153 4.939 ( 3.884 0.000 0.000) 3.884 4.959 ( -3.007 0.000 0.000) 3.007 5.021 ( -2.664 0.000 0.000) 2.664 5.144 ( 10.266 0.000 0.000) 10.266 5.420 ( -14.338 0.000 0.000) 14.338 5.424 ( -0.845 0.000 0.000) 0.845 5.494 ( -6.741 0.000 0.000) 6.741 5.538 ( 6.184 0.000 0.000) 6.184 5.688 ( -7.357 0.000 0.000) 7.357 5.689 ( 7.309 0.000 0.000) 7.309 5.812 ( -5.221 0.000 0.000) 5.221 5.889 ( 0.246 0.000 0.000) 0.246 5.916 ( -1.265 0.000 0.000) 1.265 6.119 ( 6.111 0.000 0.000) 6.111 6.209 ( 0.934 0.000 0.000) 0.934 6.214 ( -2.015 0.000 0.000) 2.015 6.253 ( -2.504 0.000 0.000) 2.504 6.357 ( 5.465 0.000 0.000) 5.465 6.456 ( -3.930 0.000 0.000) 3.930 6.569 ( 2.052 0.000 0.000) 2.052 6.594 ( -0.450 0.000 0.000) 0.450 6.728 ( 5.246 0.000 0.000) 5.246 6.765 ( 5.156 0.000 0.000) 5.156 6.773 ( 3.264 0.000 0.000) 3.264 6.828 ( -3.553 0.000 0.000) 3.553 7.051 ( 3.128 0.000 0.000) 3.128 7.097 ( 0.499 0.000 0.000) 0.499 7.108 ( -0.704 0.000 0.000) 0.704 7.132 ( -3.376 0.000 0.000) 3.376 7.242 ( 1.261 0.000 0.000) 1.261 7.302 ( -3.547 0.000 0.000) 3.547 7.961 ( 2.266 0.000 0.000) 2.266 8.031 ( -4.539 0.000 0.000) 4.539 8.122 ( 2.686 0.000 0.000) 2.686 8.157 ( 0.467 0.000 0.000) 0.467 8.169 ( -0.796 0.000 0.000) 0.796 8.197 ( -4.657 0.000 0.000) 4.657 8.295 ( 0.884 0.000 0.000) 0.884 8.311 ( -0.656 0.000 0.000) 0.656 9.903 ( 1.741 0.000 0.000) 1.741 9.961 ( -3.779 0.000 0.000) 3.779 9.982 ( 1.695 0.000 0.000) 1.695 10.033 ( -3.026 0.000 0.000) 3.026 10.363 ( 1.498 0.000 0.000) 1.498 10.416 ( -3.515 0.000 0.000) 3.515 10.435 ( -0.385 0.000 0.000) 0.385 10.463 ( -2.997 0.000 0.000) 2.997 11.547 ( 2.170 0.000 0.000) 2.170 11.606 ( -3.420 0.000 0.000) 3.420 11.938 ( 6.007 0.000 0.000) 6.007 11.973 ( 10.882 0.000 0.000) 10.882 12.009 ( 3.032 0.000 0.000) 3.032 12.010 ( 1.995 0.000 0.000) 1.995 12.061 ( 2.890 0.000 0.000) 2.890 12.068 ( -2.931 0.000 0.000) 2.931 12.221 ( -5.122 0.000 0.000) 5.122 12.226 ( -6.160 0.000 0.000) 6.160 12.343 ( 2.086 0.000 0.000) 2.086 12.427 ( -5.443 0.000 0.000) 5.443 12.457 ( 9.503 0.000 0.000) 9.503 12.535 ( 10.809 0.000 0.000) 10.809 12.563 ( -1.988 0.000 0.000) 1.988 12.680 ( 1.215 0.000 0.000) 1.215 12.686 ( -4.381 0.000 0.000) 4.381 12.712 ( -1.003 0.000 0.000) 1.003 12.831 ( 15.489 0.000 0.000) 15.489 13.176 ( 12.017 0.000 0.000) 12.017 13.216 ( 0.363 0.000 0.000) 0.363 13.239 ( -2.205 0.000 0.000) 2.205 13.262 ( -23.771 0.000 0.000) 23.771 13.451 ( -11.432 0.000 0.000) 11.432 13.593 ( 0.047 0.000 0.000) 0.047 13.598 ( 2.223 0.000 0.000) 2.223 13.609 ( -3.138 0.000 0.000) 3.138 13.651 ( -2.944 0.000 0.000) 2.944 14.753 ( 4.862 0.000 0.000) 4.862 14.773 ( 4.851 0.000 0.000) 4.851 15.043 ( 12.116 0.000 0.000) 12.116 15.121 ( 1.733 0.000 0.000) 1.733 15.168 ( 37.965 0.000 0.000) 37.965 15.421 ( 41.835 0.000 0.000) 41.835 15.973 ( -37.368 0.000 0.000) 37.368 16.280 ( -39.119 0.000 0.000) 39.119 16.485 ( 18.661 0.000 0.000) 18.661 16.828 ( 10.179 0.000 0.000) 10.179 16.977 ( -24.934 0.000 0.000) 24.934 17.201 ( -23.999 0.000 0.000) 23.999 19.601 ( 2.639 0.000 0.000) 2.639 19.642 ( -1.291 0.000 0.000) 1.291 19.675 ( 3.378 0.000 0.000) 3.378 19.730 ( -1.964 0.000 0.000) 1.964 20.784 ( 2.788 0.000 0.000) 2.788 20.798 ( 1.261 0.000 0.000) 1.261 21.047 ( 7.256 0.000 0.000) 7.256 21.101 ( 1.371 0.000 0.000) 1.371 21.135 ( -2.324 0.000 0.000) 2.324 21.250 ( -11.471 0.000 0.000) 11.471 21.376 ( 7.421 0.000 0.000) 7.421 21.622 ( -15.536 0.000 0.000) 15.536 22.111 ( 10.552 0.000 0.000) 10.552 22.219 ( 0.477 0.000 0.000) 0.477 22.377 ( 10.760 0.000 0.000) 10.760 22.552 ( -6.082 0.000 0.000) 6.082 23.563 ( 1.467 0.000 0.000) 1.467 23.592 ( -1.756 0.000 0.000) 1.756 23.655 ( 0.190 0.000 0.000) 0.190 23.692 ( -3.246 0.000 0.000) 3.246 23.759 ( 2.626 0.000 0.000) 2.626 23.818 ( -3.313 0.000 0.000) 3.313 23.883 ( 3.444 0.000 0.000) 3.444 23.965 ( -4.301 0.000 0.000) 4.301 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 24.052 0.000) 24.052 0.601 ( 0.000 26.562 0.000) 26.562 0.969 ( 0.000 36.263 0.000) 36.263 0.975 ( 0.000 -10.001 0.000) 10.001 1.171 ( 0.000 -15.545 0.000) 15.545 1.800 ( 0.000 -25.158 0.000) 25.158 1.803 ( 0.000 5.455 0.000) 5.455 1.904 ( 0.000 -4.092 0.000) 4.092 1.908 ( 0.000 -5.824 0.000) 5.824 1.938 ( 0.000 -9.362 0.000) 9.362 2.283 ( 0.000 2.567 0.000) 2.567 2.317 ( 0.000 -1.182 0.000) 1.182 2.475 ( 0.000 3.959 0.000) 3.959 2.513 ( 0.000 7.945 0.000) 7.945 2.571 ( 0.000 -4.528 0.000) 4.528 2.715 ( 0.000 2.773 0.000) 2.773 2.717 ( 0.000 4.353 0.000) 4.353 2.724 ( 0.000 -8.988 0.000) 8.988 2.908 ( 0.000 4.237 0.000) 4.237 2.962 ( 0.000 1.453 0.000) 1.453 2.983 ( 0.000 -2.172 0.000) 2.172 3.056 ( 0.000 -4.774 0.000) 4.774 3.188 ( 0.000 15.838 0.000) 15.838 3.252 ( 0.000 5.860 0.000) 5.860 3.253 ( 0.000 -3.634 0.000) 3.634 3.262 ( 0.000 -6.117 0.000) 6.117 3.412 ( 0.000 1.750 0.000) 1.750 3.437 ( 0.000 -2.176 0.000) 2.176 3.525 ( 0.000 2.420 0.000) 2.420 3.554 ( 0.000 2.834 0.000) 2.834 3.583 ( 0.000 -4.320 0.000) 4.320 3.615 ( 0.000 -1.152 0.000) 1.152 3.666 ( 0.000 -2.405 0.000) 2.405 3.699 ( 0.000 -12.867 0.000) 12.867 3.706 ( 0.000 2.588 0.000) 2.588 3.765 ( 0.000 -1.738 0.000) 1.738 3.811 ( 0.000 0.859 0.000) 0.859 3.821 ( 0.000 6.688 0.000) 6.688 4.028 ( 0.000 -7.083 0.000) 7.083 4.034 ( 0.000 0.357 0.000) 0.357 4.163 ( 0.000 1.398 0.000) 1.398 4.184 ( 0.000 5.568 0.000) 5.568 4.207 ( 0.000 -2.377 0.000) 2.377 4.253 ( 0.000 -2.320 0.000) 2.320 4.279 ( 0.000 10.164 0.000) 10.164 4.409 ( 0.000 3.239 0.000) 3.239 4.416 ( 0.000 -0.996 0.000) 0.996 4.456 ( 0.000 5.337 0.000) 5.337 4.475 ( 0.000 -4.782 0.000) 4.782 4.479 ( 0.000 3.115 0.000) 3.115 4.566 ( 0.000 -3.668 0.000) 3.668 4.637 ( 0.000 -10.263 0.000) 10.263 4.673 ( 0.000 4.664 0.000) 4.664 4.690 ( 0.000 1.402 0.000) 1.402 4.802 ( 0.000 4.788 0.000) 4.788 4.809 ( 0.000 1.773 0.000) 1.773 4.880 ( 0.000 2.071 0.000) 2.071 4.930 ( 0.000 -0.748 0.000) 0.748 4.999 ( 0.000 -1.598 0.000) 1.598 5.034 ( 0.000 -4.328 0.000) 4.328 5.139 ( 0.000 2.121 0.000) 2.121 5.179 ( 0.000 -0.472 0.000) 0.472 5.301 ( 0.000 0.330 0.000) 0.330 5.312 ( 0.000 -0.765 0.000) 0.765 5.535 ( 0.000 -5.035 0.000) 5.035 5.535 ( 0.000 -4.208 0.000) 4.208 5.729 ( 0.000 2.150 0.000) 2.150 5.751 ( 0.000 -0.428 0.000) 0.428 5.866 ( 0.000 0.415 0.000) 0.415 5.874 ( 0.000 -0.185 0.000) 0.185 6.205 ( 0.000 9.801 0.000) 9.801 6.243 ( 0.000 -0.069 0.000) 0.069 6.245 ( 0.000 0.097 0.000) 0.097 6.323 ( 0.000 4.862 0.000) 4.862 6.354 ( 0.000 -3.053 0.000) 3.053 6.403 ( 0.000 2.086 0.000) 2.086 6.456 ( 0.000 -6.253 0.000) 6.253 6.515 ( 0.000 -7.568 0.000) 7.568 6.709 ( 0.000 2.817 0.000) 2.817 6.750 ( 0.000 2.382 0.000) 2.382 6.798 ( 0.000 -0.361 0.000) 0.361 6.805 ( 0.000 -4.228 0.000) 4.228 6.869 ( 0.000 4.840 0.000) 4.840 6.965 ( 0.000 -3.434 0.000) 3.434 7.144 ( 0.000 1.629 0.000) 1.629 7.182 ( 0.000 -1.506 0.000) 1.506 7.182 ( 0.000 3.958 0.000) 3.958 7.258 ( 0.000 -2.510 0.000) 2.510 7.907 ( 0.000 1.748 0.000) 1.748 7.955 ( 0.000 -2.344 0.000) 2.344 8.271 ( 0.000 1.892 0.000) 1.892 8.273 ( 0.000 1.454 0.000) 1.454 8.301 ( 0.000 -0.910 0.000) 0.910 8.321 ( 0.000 -2.239 0.000) 2.239 8.527 ( 0.000 1.848 0.000) 1.848 8.567 ( 0.000 -1.573 0.000) 1.573 9.972 ( 0.000 1.562 0.000) 1.562 10.012 ( 0.000 -1.687 0.000) 1.687 10.450 ( 0.000 0.681 0.000) 0.681 10.470 ( 0.000 -1.025 0.000) 1.025 10.543 ( 0.000 0.622 0.000) 0.622 10.554 ( 0.000 -0.345 0.000) 0.345 10.785 ( 0.000 0.637 0.000) 0.637 10.800 ( 0.000 -0.582 0.000) 0.582 11.081 ( 0.000 0.786 0.000) 0.786 11.093 ( 0.000 2.275 0.000) 2.275 11.101 ( 0.000 -0.870 0.000) 0.870 11.150 ( 0.000 -2.470 0.000) 2.470 11.389 ( 0.000 2.271 0.000) 2.271 11.443 ( 0.000 -2.263 0.000) 2.263 11.729 ( 0.000 0.545 0.000) 0.545 11.750 ( 0.000 -1.101 0.000) 1.101 11.850 ( 0.000 3.685 0.000) 3.685 11.928 ( 0.000 -2.941 0.000) 2.941 12.088 ( 0.000 6.755 0.000) 6.755 12.293 ( 0.000 -11.041 0.000) 11.041 12.409 ( 0.000 2.251 0.000) 2.251 12.441 ( 0.000 0.946 0.000) 0.946 12.465 ( 0.000 -1.007 0.000) 1.007 12.467 ( 0.000 -2.648 0.000) 2.648 12.514 ( 0.000 1.339 0.000) 1.339 12.541 ( 0.000 1.293 0.000) 1.293 12.548 ( 0.000 -1.802 0.000) 1.802 12.571 ( 0.000 -1.194 0.000) 1.194 13.063 ( 0.000 13.608 0.000) 13.608 13.213 ( 0.000 1.475 0.000) 1.475 13.257 ( 0.000 -2.334 0.000) 2.334 13.315 ( 0.000 -8.655 0.000) 8.655 13.452 ( 0.000 2.730 0.000) 2.730 13.504 ( 0.000 -1.819 0.000) 1.819 13.783 ( 0.000 1.470 0.000) 1.470 13.836 ( 0.000 -3.329 0.000) 3.329 13.993 ( 0.000 1.731 0.000) 1.731 14.002 ( 0.000 1.450 0.000) 1.450 15.164 ( 0.000 9.765 0.000) 9.765 15.291 ( 0.000 12.009 0.000) 12.009 15.414 ( 0.000 -10.810 0.000) 10.810 15.612 ( 0.000 -15.295 0.000) 15.295 16.628 ( 0.000 10.050 0.000) 10.050 16.817 ( 0.000 -6.280 0.000) 6.280 17.722 ( 0.000 4.100 0.000) 4.100 17.856 ( 0.000 -8.077 0.000) 8.077 18.322 ( 0.000 11.142 0.000) 11.142 18.535 ( 0.000 -7.492 0.000) 7.492 19.411 ( 0.000 0.156 0.000) 0.156 19.415 ( 0.000 -0.179 0.000) 0.179 19.764 ( 0.000 0.069 0.000) 0.069 19.767 ( 0.000 -0.151 0.000) 0.151 19.863 ( 0.000 1.648 0.000) 1.648 19.904 ( 0.000 -1.769 0.000) 1.769 20.596 ( 0.000 5.377 0.000) 5.377 20.761 ( 0.000 4.277 0.000) 4.277 20.762 ( 0.000 -8.778 0.000) 8.778 20.870 ( 0.000 -5.445 0.000) 5.445 21.436 ( 0.000 12.139 0.000) 12.139 21.513 ( 0.000 2.091 0.000) 2.091 21.562 ( 0.000 -1.918 0.000) 1.918 21.654 ( 0.000 -7.130 0.000) 7.130 23.266 ( 0.000 0.787 0.000) 0.787 23.286 ( 0.000 -0.836 0.000) 0.836 23.493 ( 0.000 1.173 0.000) 1.173 23.525 ( 0.000 -1.539 0.000) 1.539 23.678 ( 0.000 1.511 0.000) 1.511 23.710 ( 0.000 -1.156 0.000) 1.156 23.858 ( 0.000 1.495 0.000) 1.495 23.900 ( 0.000 -1.978 0.000) 1.978 24.092 ( 0.000 0.731 0.000) 0.731 24.103 ( 0.000 -0.250 0.000) 0.250 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 6.223 19.641 0.000) 20.603 0.695 ( 9.995 18.693 0.000) 21.197 1.010 ( -4.368 -16.341 0.000) 16.914 1.043 ( 6.449 -10.707 0.000) 12.499 1.349 ( 18.916 23.072 0.000) 29.835 1.850 ( 8.170 -12.981 0.000) 15.338 1.917 ( 5.996 9.455 0.000) 11.196 1.919 ( 2.893 -0.899 0.000) 3.029 1.968 ( 4.162 -4.865 0.000) 6.402 2.207 ( 18.018 -11.963 0.000) 21.628 2.281 ( 3.093 4.212 0.000) 5.226 2.351 ( 2.492 -1.326 0.000) 2.822 2.457 ( -2.581 5.349 0.000) 5.939 2.522 ( 1.681 1.831 0.000) 2.486 2.603 ( -1.218 -3.413 0.000) 3.624 2.670 ( 0.362 -7.315 0.000) 7.324 2.780 ( 3.323 -1.321 0.000) 3.576 2.857 ( 5.147 -6.879 0.000) 8.592 2.872 ( -5.160 9.133 0.000) 10.490 2.949 ( 3.844 0.188 0.000) 3.849 3.051 ( 1.825 -6.407 0.000) 6.662 3.110 ( 1.019 -9.902 0.000) 9.954 3.150 ( 0.194 8.696 0.000) 8.698 3.222 ( 4.824 6.139 0.000) 7.808 3.314 ( 1.218 6.326 0.000) 6.442 3.337 ( -4.230 -6.214 0.000) 7.517 3.382 ( 4.920 -4.874 0.000) 6.926 3.433 ( -2.581 -1.971 0.000) 3.248 3.468 ( -2.859 -1.222 0.000) 3.109 3.521 ( -2.763 -1.174 0.000) 3.002 3.571 ( -0.344 0.306 0.000) 0.461 3.602 ( -0.793 5.190 0.000) 5.250 3.662 ( -2.585 -0.541 0.000) 2.641 3.694 ( 0.135 -0.453 0.000) 0.472 3.739 ( 1.347 -0.930 0.000) 1.637 3.771 ( -3.226 2.208 0.000) 3.910 3.779 ( 3.912 -3.309 0.000) 5.123 3.821 ( -2.277 7.307 0.000) 7.654 3.969 ( -1.945 -8.531 0.000) 8.750 4.064 ( 1.970 -12.416 0.000) 12.571 4.137 ( -3.757 5.253 0.000) 6.459 4.171 ( 0.974 3.913 0.000) 4.033 4.186 ( -2.262 3.086 0.000) 3.826 4.215 ( 0.936 0.142 0.000) 0.947 4.283 ( -1.183 4.963 0.000) 5.102 4.315 ( -3.163 2.865 0.000) 4.268 4.330 ( -6.655 6.876 0.000) 9.569 4.449 ( -1.805 4.198 0.000) 4.570 4.480 ( -2.984 -4.791 0.000) 5.644 4.533 ( -6.261 -3.369 0.000) 7.111 4.536 ( -3.052 -0.906 0.000) 3.183 4.615 ( -1.052 1.149 0.000) 1.558 4.634 ( 2.315 -6.470 0.000) 6.872 4.685 ( -0.039 -1.863 0.000) 1.864 4.827 ( 4.800 3.878 0.000) 6.171 4.844 ( -3.582 4.191 0.000) 5.513 4.868 ( 5.961 1.766 0.000) 6.217 4.949 ( -0.777 -3.238 0.000) 3.330 5.033 ( 2.126 -0.254 0.000) 2.141 5.069 ( -2.001 1.649 0.000) 2.592 5.074 ( 2.256 -3.258 0.000) 3.963 5.112 ( -4.808 -1.203 0.000) 4.956 5.357 ( 5.794 3.799 0.000) 6.929 5.425 ( 7.347 -2.191 0.000) 7.666 5.596 ( 6.215 -0.193 0.000) 6.218 5.649 ( 4.161 -5.205 0.000) 6.664 5.818 ( 8.877 2.912 0.000) 9.342 5.845 ( 8.950 1.367 0.000) 9.054 5.876 ( 0.398 1.071 0.000) 1.143 5.908 ( 2.502 -1.404 0.000) 2.869 6.137 ( -6.136 8.429 0.000) 10.426 6.166 ( -4.727 1.087 0.000) 4.851 6.203 ( -1.090 -2.198 0.000) 2.453 6.251 ( -7.410 -0.411 0.000) 7.421 6.367 ( -1.948 -0.700 0.000) 2.070 6.377 ( 3.116 5.225 0.000) 6.084 6.422 ( -8.281 -6.140 0.000) 10.309 6.504 ( 2.657 -5.902 0.000) 6.473 6.683 ( -2.348 4.922 0.000) 5.454 6.721 ( -2.519 1.578 0.000) 2.972 6.769 ( -0.712 -0.286 0.000) 0.767 6.835 ( 1.618 -6.252 0.000) 6.458 6.887 ( 1.643 5.404 0.000) 5.648 6.994 ( 2.465 -3.886 0.000) 4.602 7.164 ( 1.727 2.275 0.000) 2.857 7.176 ( -0.553 4.635 0.000) 4.668 7.214 ( 2.834 -2.020 0.000) 3.480 7.264 ( -0.157 -3.193 0.000) 3.197 7.915 ( 0.586 1.908 0.000) 1.996 7.967 ( 0.996 -2.583 0.000) 2.769 8.217 ( -2.347 3.618 0.000) 4.313 8.262 ( -0.873 1.884 0.000) 2.076 8.270 ( -1.974 -1.377 0.000) 2.407 8.312 ( -0.836 -2.372 0.000) 2.515 8.478 ( -4.364 2.286 0.000) 4.927 8.527 ( -3.725 -1.850 0.000) 4.159 9.958 ( -1.252 1.551 0.000) 1.993 9.997 ( -1.286 -1.662 0.000) 2.101 10.332 ( -7.282 2.175 0.000) 7.600 10.369 ( -7.643 -1.327 0.000) 7.757 10.504 ( -2.673 2.678 0.000) 3.784 10.563 ( -1.635 -2.486 0.000) 2.976 10.740 ( -4.017 0.758 0.000) 4.088 10.759 ( -3.730 -0.766 0.000) 3.808 11.221 ( 15.317 2.615 0.000) 15.539 11.262 ( 16.803 -1.204 0.000) 16.846 11.337 ( 17.450 1.625 0.000) 17.525 11.376 ( 14.356 -1.392 0.000) 14.423 11.436 ( 4.378 2.092 0.000) 4.853 11.486 ( 3.907 -2.018 0.000) 4.397 11.683 ( -0.033 5.597 0.000) 5.597 11.771 ( 2.873 -2.604 0.000) 3.877 11.980 ( 9.478 5.278 0.000) 10.849 12.038 ( -4.245 6.346 0.000) 7.635 12.141 ( 6.282 -8.150 0.000) 10.290 12.220 ( -5.200 -8.719 0.000) 10.152 12.408 ( 0.196 1.889 0.000) 1.899 12.433 ( -0.276 0.731 0.000) 0.781 12.479 ( 0.774 -3.239 0.000) 3.330 12.490 ( 5.265 -6.231 0.000) 8.158 12.527 ( 2.226 2.097 0.000) 3.059 12.575 ( 2.489 -2.357 0.000) 3.428 12.747 ( 12.191 0.117 0.000) 12.192 12.782 ( 14.631 -3.487 0.000) 15.041 13.060 ( -0.427 13.904 0.000) 13.910 13.322 ( 0.382 -9.311 0.000) 9.319 13.380 ( 14.333 -1.615 0.000) 14.424 13.385 ( 15.936 -2.173 0.000) 16.084 13.471 ( 2.593 2.120 0.000) 3.349 13.520 ( 1.518 -1.869 0.000) 2.408 13.736 ( -4.537 2.955 0.000) 5.415 13.810 ( -2.568 -3.685 0.000) 4.492 13.984 ( -0.750 2.535 0.000) 2.644 14.017 ( 1.004 0.020 0.000) 1.004 14.727 ( -37.757 23.712 0.000) 44.585 14.922 ( -27.442 0.634 0.000) 27.449 15.085 ( -7.044 7.036 0.000) 9.956 15.271 ( -12.212 -8.186 0.000) 14.701 16.588 ( -2.382 13.828 0.000) 14.032 16.983 ( -2.126 -19.730 0.000) 19.844 17.612 ( -10.430 4.425 0.000) 11.330 17.754 ( -9.848 -8.258 0.000) 12.852 18.227 ( -8.975 10.768 0.000) 14.018 18.434 ( -9.663 -7.316 0.000) 12.120 19.413 ( 0.800 0.238 0.000) 0.835 19.419 ( 1.026 -0.221 0.000) 1.049 19.670 ( -0.533 2.683 0.000) 2.735 19.732 ( -0.013 -2.798 0.000) 2.798 20.245 ( 26.929 14.955 0.000) 30.803 20.649 ( 2.454 4.945 0.000) 5.521 20.757 ( 2.167 -1.926 0.000) 2.899 20.791 ( 33.176 -38.320 0.000) 50.686 20.927 ( 10.222 -4.585 0.000) 11.203 20.949 ( 8.987 -3.084 0.000) 9.501 21.450 ( 2.188 11.950 0.000) 12.149 21.566 ( 5.248 2.372 0.000) 5.759 21.631 ( 7.696 -3.742 0.000) 8.557 21.664 ( 1.593 -6.920 0.000) 7.101 22.918 ( -22.432 13.195 0.000) 26.025 23.081 ( -17.190 -3.951 0.000) 17.638 23.498 ( 0.583 1.467 0.000) 1.579 23.539 ( 1.320 -2.011 0.000) 2.405 23.693 ( 1.264 1.734 0.000) 2.145 23.727 ( 1.532 -1.203 0.000) 1.948 23.819 ( -3.156 2.029 0.000) 3.752 23.879 ( -2.117 -2.995 0.000) 3.667 24.092 ( -1.168 1.176 0.000) 1.658 24.134 ( 0.356 -2.737 0.000) 2.760 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 19.522 4.653 0.000) 20.069 0.960 ( 14.295 11.653 0.000) 18.443 1.097 ( 13.179 -16.162 0.000) 20.854 1.232 ( 11.141 -11.288 0.000) 15.860 1.728 ( 16.306 10.920 0.000) 19.624 1.876 ( 3.753 -0.348 0.000) 3.769 2.014 ( 5.179 4.242 0.000) 6.694 2.079 ( 6.800 -1.681 0.000) 7.005 2.228 ( 2.625 9.227 0.000) 9.593 2.335 ( 14.214 1.818 0.000) 14.330 2.396 ( -2.675 2.028 0.000) 3.356 2.418 ( 7.909 2.154 0.000) 8.197 2.475 ( -3.603 -4.032 0.000) 5.408 2.611 ( 0.524 5.022 0.000) 5.049 2.624 ( 11.845 -7.013 0.000) 13.765 2.722 ( 2.946 -0.998 0.000) 3.110 2.798 ( -3.673 -2.603 0.000) 4.502 2.852 ( -2.052 -9.078 0.000) 9.307 2.853 ( 4.348 -0.731 0.000) 4.409 2.987 ( -5.540 -6.069 0.000) 8.217 2.991 ( 2.663 5.245 0.000) 5.882 3.144 ( 2.622 -5.590 0.000) 6.174 3.193 ( -5.338 0.533 0.000) 5.365 3.216 ( -0.903 -2.879 0.000) 3.017 3.301 ( -0.540 4.542 0.000) 4.574 3.362 ( 2.101 2.846 0.000) 3.537 3.384 ( -2.035 1.166 0.000) 2.345 3.416 ( 0.574 1.676 0.000) 1.772 3.489 ( 2.611 -3.767 0.000) 4.584 3.497 ( 1.554 -2.755 0.000) 3.163 3.530 ( -2.236 -3.210 0.000) 3.912 3.571 ( -0.093 2.630 0.000) 2.632 3.600 ( -6.060 -4.479 0.000) 7.536 3.677 ( -3.000 8.242 0.000) 8.771 3.684 ( -1.026 -3.547 0.000) 3.692 3.783 ( 4.487 3.657 0.000) 5.789 3.792 ( -1.991 4.938 0.000) 5.325 3.901 ( 5.906 -5.789 0.000) 8.270 3.933 ( 0.151 -0.769 0.000) 0.783 4.039 ( -5.555 5.186 0.000) 7.599 4.096 ( -7.093 -4.514 0.000) 8.408 4.131 ( -4.495 4.762 0.000) 6.549 4.138 ( -6.038 -3.036 0.000) 6.758 4.206 ( 1.662 0.482 0.000) 1.730 4.230 ( 1.655 1.956 0.000) 2.562 4.238 ( -0.741 -1.654 0.000) 1.812 4.292 ( -1.360 -2.079 0.000) 2.484 4.355 ( -1.766 -2.036 0.000) 2.695 4.399 ( -2.449 -3.777 0.000) 4.502 4.467 ( -1.484 -1.909 0.000) 2.418 4.471 ( -1.582 9.494 0.000) 9.625 4.656 ( 3.521 2.791 0.000) 4.493 4.659 ( 0.934 -0.951 0.000) 1.333 4.734 ( 2.988 0.036 0.000) 2.988 4.758 ( -4.395 0.352 0.000) 4.409 4.875 ( -4.249 -3.885 0.000) 5.758 4.899 ( 2.337 5.193 0.000) 5.694 4.998 ( 4.024 -3.223 0.000) 5.156 5.034 ( -2.424 1.665 0.000) 2.940 5.051 ( -2.728 -0.395 0.000) 2.756 5.078 ( 2.266 0.906 0.000) 2.440 5.136 ( 5.186 -5.326 0.000) 7.434 5.486 ( 4.806 5.023 0.000) 6.952 5.539 ( 2.625 -0.109 0.000) 2.628 5.700 ( 3.196 -0.259 0.000) 3.206 5.719 ( 2.943 -2.141 0.000) 3.639 5.875 ( 0.399 1.856 0.000) 1.899 5.932 ( -6.776 5.489 0.000) 8.721 5.949 ( 1.897 -4.514 0.000) 4.896 6.042 ( 7.272 0.794 0.000) 7.315 6.069 ( -1.747 -0.860 0.000) 1.947 6.074 ( -3.173 -3.107 0.000) 4.441 6.139 ( 2.160 3.725 0.000) 4.306 6.215 ( 1.377 -3.139 0.000) 3.428 6.257 ( -3.949 3.586 0.000) 5.334 6.349 ( 1.599 -3.709 0.000) 4.039 6.439 ( 3.295 4.106 0.000) 5.265 6.549 ( 2.115 -5.563 0.000) 5.952 6.627 ( -2.804 3.007 0.000) 4.112 6.662 ( -2.936 -0.354 0.000) 2.957 6.750 ( -0.965 3.222 0.000) 3.363 6.869 ( 1.442 -6.815 0.000) 6.966 6.927 ( 1.867 5.905 0.000) 6.193 7.045 ( 1.853 -4.507 0.000) 4.873 7.167 ( -0.169 4.712 0.000) 4.715 7.207 ( 2.066 3.534 0.000) 4.094 7.250 ( -0.999 -2.693 0.000) 2.872 7.280 ( 2.869 -2.783 0.000) 3.998 7.929 ( 0.796 1.999 0.000) 2.152 7.989 ( 1.026 -3.259 0.000) 3.417 8.197 ( -0.002 3.047 0.000) 3.047 8.236 ( -1.615 1.615 0.000) 2.284 8.248 ( -0.103 -1.473 0.000) 1.476 8.278 ( -3.101 -1.928 0.000) 3.651 8.370 ( -4.813 2.366 0.000) 5.364 8.423 ( -5.827 -2.097 0.000) 6.193 9.928 ( -1.460 1.536 0.000) 2.119 9.966 ( -1.469 -1.624 0.000) 2.190 10.188 ( -6.288 1.375 0.000) 6.436 10.214 ( -6.615 -0.851 0.000) 6.669 10.435 ( -3.455 2.339 0.000) 4.172 10.501 ( -3.550 -3.245 0.000) 4.809 10.634 ( -5.688 0.936 0.000) 5.764 10.657 ( -5.577 -0.979 0.000) 5.662 11.534 ( 9.084 4.818 0.000) 10.283 11.558 ( 6.880 1.684 0.000) 7.083 11.598 ( 6.577 -1.587 0.000) 6.766 11.613 ( 10.965 -2.591 0.000) 11.267 11.700 ( 16.124 2.707 0.000) 16.349 11.743 ( 18.860 -0.967 0.000) 18.885 11.791 ( 14.295 3.544 0.000) 14.727 11.889 ( 9.487 -3.457 0.000) 10.097 11.935 ( -5.077 6.030 0.000) 7.883 12.108 ( -5.242 -8.579 0.000) 10.054 12.138 ( 5.691 2.988 0.000) 6.428 12.228 ( 4.142 -4.733 0.000) 6.290 12.404 ( -1.919 2.323 0.000) 3.013 12.475 ( -1.020 -4.347 0.000) 4.465 12.479 ( 5.430 4.011 0.000) 6.751 12.593 ( 3.149 1.788 0.000) 3.621 12.605 ( 4.515 -7.072 0.000) 8.390 12.637 ( 2.929 -1.951 0.000) 3.519 12.973 ( 8.555 3.049 0.000) 9.082 13.024 ( 9.490 -1.480 0.000) 9.604 13.036 ( -2.256 14.250 0.000) 14.427 13.311 ( -2.034 -10.248 0.000) 10.448 13.499 ( 2.461 2.461 0.000) 3.481 13.549 ( 1.785 -1.693 0.000) 2.460 13.616 ( -5.814 5.355 0.000) 7.904 13.732 ( -4.719 -4.986 0.000) 6.865 13.876 ( 31.119 0.599 0.000) 31.125 13.919 ( 29.615 -3.858 0.000) 29.865 13.943 ( -4.002 2.556 0.000) 4.749 14.005 ( -3.850 -2.435 0.000) 4.555 14.316 ( -3.430 10.156 0.000) 10.719 14.464 ( -12.084 -3.121 0.000) 12.480 14.889 ( -10.375 6.144 0.000) 12.057 15.033 ( -7.296 -5.804 0.000) 9.323 16.497 ( -5.590 12.933 0.000) 14.090 16.831 ( -9.628 -14.674 0.000) 17.551 17.288 ( -20.490 5.245 0.000) 21.151 17.443 ( -19.935 -8.237 0.000) 21.570 17.956 ( -16.735 9.189 0.000) 19.092 18.137 ( -18.489 -6.490 0.000) 19.595 19.461 ( 3.600 0.604 0.000) 3.650 19.475 ( 4.174 -0.587 0.000) 4.215 19.675 ( 0.467 2.299 0.000) 2.346 19.736 ( 0.100 -2.868 0.000) 2.870 20.679 ( 12.921 14.190 0.000) 19.192 20.685 ( 2.003 4.812 0.000) 5.213 20.807 ( 2.389 -5.154 0.000) 5.681 21.077 ( 1.995 -19.696 0.000) 19.797 21.086 ( 4.534 1.953 0.000) 4.937 21.166 ( 7.215 -4.909 0.000) 8.726 21.587 ( 11.961 10.014 0.000) 15.600 21.696 ( 3.630 4.352 0.000) 5.668 21.776 ( 10.122 -6.426 0.000) 11.989 21.812 ( 6.401 -6.272 0.000) 8.962 22.518 ( -15.237 10.977 0.000) 18.779 22.717 ( -14.016 -6.637 0.000) 15.508 23.518 ( 1.293 1.935 0.000) 2.327 23.574 ( 1.868 -2.985 0.000) 3.521 23.723 ( 1.507 2.387 0.000) 2.823 23.744 ( -3.804 2.413 0.000) 4.505 23.765 ( 1.947 -1.356 0.000) 2.373 23.815 ( -3.749 -3.679 0.000) 5.253 24.037 ( -3.806 2.669 0.000) 4.648 24.100 ( -3.086 -2.876 0.000) 4.218 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 13.717 7.884 0.000) 15.822 1.265 ( 20.315 3.071 0.000) 20.545 1.425 ( 15.044 -10.977 0.000) 18.623 1.476 ( 11.207 -10.763 0.000) 15.538 1.998 ( 9.338 4.664 0.000) 10.437 2.042 ( 10.610 2.829 0.000) 10.981 2.111 ( 4.143 7.384 0.000) 8.467 2.231 ( 5.680 -3.230 0.000) 6.535 2.259 ( 1.371 5.130 0.000) 5.310 2.368 ( 1.096 2.675 0.000) 2.891 2.396 ( -2.183 -5.638 0.000) 6.046 2.447 ( 0.476 -3.483 0.000) 3.515 2.579 ( -2.080 9.534 0.000) 9.758 2.625 ( 0.258 1.155 0.000) 1.183 2.689 ( -4.364 -2.910 0.000) 5.245 2.792 ( 12.498 1.281 0.000) 12.564 2.800 ( 1.345 -5.334 0.000) 5.501 2.854 ( -4.743 -1.780 0.000) 5.066 2.885 ( 2.132 -4.915 0.000) 5.357 2.980 ( 5.023 -11.250 0.000) 12.321 3.105 ( 7.468 7.995 0.000) 10.941 3.120 ( -2.413 0.199 0.000) 2.421 3.141 ( -0.149 -0.615 0.000) 0.632 3.199 ( 1.842 -0.031 0.000) 1.843 3.262 ( -6.446 2.413 0.000) 6.883 3.300 ( -4.533 8.000 0.000) 9.195 3.308 ( -6.519 -0.419 0.000) 6.533 3.424 ( -1.374 0.070 0.000) 1.376 3.442 ( -5.306 -1.051 0.000) 5.409 3.465 ( -2.217 3.648 0.000) 4.269 3.489 ( -3.073 -2.125 0.000) 3.736 3.565 ( 0.871 -3.875 0.000) 3.972 3.627 ( 0.051 6.200 0.000) 6.200 3.668 ( 2.791 -2.184 0.000) 3.545 3.699 ( 7.361 -4.521 0.000) 8.638 3.763 ( 0.016 1.927 0.000) 1.927 3.868 ( -3.092 3.134 0.000) 4.403 3.899 ( -2.322 2.023 0.000) 3.080 3.899 ( -7.043 4.680 0.000) 8.456 3.948 ( -0.446 -3.524 0.000) 3.552 3.989 ( -2.082 -2.537 0.000) 3.282 4.027 ( -0.056 -4.294 0.000) 4.295 4.107 ( -3.084 -0.706 0.000) 3.164 4.161 ( -0.678 -4.284 0.000) 4.337 4.217 ( -0.576 6.133 0.000) 6.160 4.258 ( 1.979 1.535 0.000) 2.505 4.332 ( 4.515 -6.355 0.000) 7.795 4.372 ( -2.924 -1.985 0.000) 3.534 4.417 ( 2.831 -3.824 0.000) 4.758 4.470 ( 1.281 10.091 0.000) 10.172 4.483 ( 6.553 -7.162 0.000) 9.707 4.657 ( -4.865 -2.265 0.000) 5.367 4.714 ( 1.576 5.934 0.000) 6.140 4.716 ( 4.285 1.510 0.000) 4.543 4.786 ( 1.720 0.319 0.000) 1.749 4.809 ( -2.089 -3.231 0.000) 3.848 4.937 ( 0.786 3.703 0.000) 3.785 4.953 ( -5.074 1.175 0.000) 5.208 4.972 ( -4.408 -0.152 0.000) 4.410 5.010 ( -1.980 -2.986 0.000) 3.583 5.138 ( 4.343 5.180 0.000) 6.760 5.297 ( 8.664 -8.458 0.000) 12.108 5.524 ( -1.320 2.428 0.000) 2.764 5.551 ( 1.411 0.597 0.000) 1.532 5.683 ( -6.504 3.213 0.000) 7.255 5.731 ( -6.583 0.581 0.000) 6.609 5.768 ( -2.633 1.034 0.000) 2.829 5.855 ( -8.188 -5.063 0.000) 9.627 5.928 ( 3.468 2.817 0.000) 4.468 5.998 ( 2.222 -2.861 0.000) 3.623 6.032 ( -5.515 3.130 0.000) 6.341 6.111 ( -0.109 -4.019 0.000) 4.021 6.211 ( 3.635 1.602 0.000) 3.972 6.243 ( 2.289 -1.044 0.000) 2.516 6.336 ( 5.206 5.118 0.000) 7.301 6.439 ( 3.676 -4.355 0.000) 5.699 6.522 ( 4.200 2.417 0.000) 4.845 6.588 ( 0.302 1.573 0.000) 1.601 6.607 ( 3.467 -4.989 0.000) 6.075 6.622 ( -0.014 -1.425 0.000) 1.425 6.753 ( 2.227 6.326 0.000) 6.707 6.900 ( 1.919 -6.682 0.000) 6.952 6.952 ( 0.278 5.583 0.000) 5.590 7.061 ( -0.244 -4.158 0.000) 4.165 7.166 ( -0.034 3.888 0.000) 3.889 7.229 ( -0.908 -1.826 0.000) 2.040 7.232 ( -0.058 3.935 0.000) 3.936 7.312 ( -0.166 -2.990 0.000) 2.995 7.950 ( 1.208 1.998 0.000) 2.335 8.013 ( 1.382 -3.592 0.000) 3.849 8.169 ( -6.086 1.367 0.000) 6.237 8.191 ( -2.986 -0.291 0.000) 3.000 8.205 ( 0.615 3.045 0.000) 3.107 8.257 ( 0.796 -1.603 0.000) 1.789 8.305 ( -4.173 -0.292 0.000) 4.183 8.313 ( -1.826 -0.845 0.000) 2.012 9.907 ( -0.288 1.555 0.000) 1.582 9.946 ( -0.227 -1.649 0.000) 1.665 10.070 ( -5.015 1.207 0.000) 5.158 10.097 ( -4.658 -1.004 0.000) 4.765 10.380 ( -1.510 1.894 0.000) 2.422 10.436 ( -2.360 -2.818 0.000) 3.676 10.518 ( -5.130 0.940 0.000) 5.215 10.541 ( -5.211 -0.946 0.000) 5.296 11.603 ( 1.063 6.864 0.000) 6.946 11.691 ( 3.668 2.622 0.000) 4.509 11.745 ( 7.119 -1.974 0.000) 7.388 11.758 ( 4.018 -6.489 0.000) 7.633 11.864 ( 0.293 4.588 0.000) 4.597 11.983 ( 9.609 4.630 0.000) 10.666 12.012 ( -3.451 -8.132 0.000) 8.834 12.039 ( 9.314 1.479 0.000) 9.431 12.137 ( 15.312 -1.897 0.000) 15.429 12.141 ( 10.083 -3.387 0.000) 10.637 12.277 ( 9.129 0.859 0.000) 9.169 12.306 ( 3.579 -1.659 0.000) 3.945 12.361 ( -2.229 3.242 0.000) 3.935 12.441 ( -2.204 -4.352 0.000) 4.878 12.608 ( 6.678 1.600 0.000) 6.867 12.638 ( 0.923 2.382 0.000) 2.554 12.668 ( 2.274 -3.257 0.000) 3.972 12.683 ( 1.205 -1.600 0.000) 2.003 12.951 ( -5.861 13.404 0.000) 14.629 13.083 ( 3.256 5.186 0.000) 6.124 13.170 ( 3.449 -2.308 0.000) 4.150 13.223 ( -6.141 -9.448 0.000) 11.268 13.528 ( -3.003 2.039 0.000) 3.630 13.556 ( 2.308 1.047 0.000) 2.534 13.579 ( 0.891 -0.824 0.000) 1.213 13.606 ( -8.218 -5.433 0.000) 9.852 13.795 ( -9.718 1.283 0.000) 9.802 13.817 ( -11.979 -0.057 0.000) 11.979 14.501 ( 21.034 0.225 0.000) 21.036 14.511 ( 19.154 -0.594 0.000) 19.163 14.578 ( 32.101 1.140 0.000) 32.122 14.606 ( 31.068 -1.110 0.000) 31.088 14.779 ( 0.564 8.946 0.000) 8.964 14.977 ( 1.055 -7.660 0.000) 7.732 16.413 ( -0.427 10.374 0.000) 10.383 16.667 ( -4.088 -10.600 0.000) 11.361 16.761 ( -29.733 6.182 0.000) 30.368 16.922 ( -29.771 -7.385 0.000) 30.673 17.541 ( -22.594 6.463 0.000) 23.501 17.679 ( -24.776 -5.185 0.000) 25.313 19.546 ( 4.073 1.102 0.000) 4.219 19.573 ( 4.648 -1.132 0.000) 4.784 19.679 ( -0.255 1.954 0.000) 1.970 19.730 ( -0.713 -2.361 0.000) 2.466 20.751 ( 4.261 4.504 0.000) 6.200 20.832 ( 3.444 8.682 0.000) 9.340 20.868 ( 3.621 -5.392 0.000) 6.495 21.060 ( -2.000 -10.694 0.000) 10.879 21.135 ( 1.445 4.282 0.000) 4.519 21.238 ( 1.621 -4.660 0.000) 4.934 21.606 ( -10.311 7.853 0.000) 12.962 21.801 ( -9.607 -9.714 0.000) 13.662 21.901 ( 15.914 7.020 0.000) 17.394 22.050 ( 14.304 -5.486 0.000) 15.320 22.331 ( -1.491 12.020 0.000) 12.112 22.558 ( -3.230 -7.851 0.000) 8.490 23.549 ( 1.588 1.940 0.000) 2.507 23.607 ( 1.058 -3.149 0.000) 3.322 23.668 ( -3.270 2.200 0.000) 3.941 23.732 ( -3.991 -3.186 0.000) 5.107 23.756 ( 1.722 2.820 0.000) 3.304 23.806 ( 2.028 -1.640 0.000) 2.608 23.947 ( -4.474 3.264 0.000) 5.538 24.020 ( -4.296 -2.996 0.000) 5.237 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 9.895 4.808 0.000) 11.001 1.610 ( 10.509 -0.920 0.000) 10.549 1.621 ( 1.647 -1.685 0.000) 2.356 1.659 ( 4.973 -7.918 0.000) 9.350 2.135 ( 4.360 5.082 0.000) 6.696 2.172 ( 1.048 5.752 0.000) 5.847 2.245 ( 7.063 5.161 0.000) 8.748 2.262 ( 0.760 -4.815 0.000) 4.874 2.268 ( -0.642 -2.693 0.000) 2.768 2.371 ( 1.930 -4.413 0.000) 4.817 2.391 ( -3.751 1.588 0.000) 4.074 2.435 ( -2.002 -1.200 0.000) 2.334 2.593 ( 3.661 3.315 0.000) 4.938 2.634 ( -1.106 -1.023 0.000) 1.506 2.660 ( 1.872 -3.455 0.000) 3.930 2.694 ( -4.377 -5.939 0.000) 7.378 2.891 ( 3.268 3.397 0.000) 4.713 2.927 ( 1.287 3.115 0.000) 3.370 2.958 ( 3.836 -1.191 0.000) 4.017 2.997 ( -1.020 -3.526 0.000) 3.670 3.117 ( -2.636 3.638 0.000) 4.493 3.125 ( 0.152 2.210 0.000) 2.216 3.150 ( -1.792 0.674 0.000) 1.915 3.152 ( -4.714 3.236 0.000) 5.718 3.204 ( -3.666 2.370 0.000) 4.366 3.210 ( -1.688 0.267 0.000) 1.709 3.264 ( 2.070 -1.954 0.000) 2.846 3.294 ( -2.599 -5.731 0.000) 6.293 3.451 ( 1.117 0.740 0.000) 1.340 3.454 ( 2.381 0.564 0.000) 2.447 3.463 ( 1.486 3.927 0.000) 4.198 3.531 ( -3.086 -2.032 0.000) 3.695 3.706 ( 1.970 4.689 0.000) 5.086 3.732 ( -2.103 2.506 0.000) 3.271 3.749 ( -1.471 1.148 0.000) 1.866 3.751 ( 0.787 1.719 0.000) 1.890 3.800 ( -1.332 3.955 0.000) 4.173 3.805 ( 5.730 1.312 0.000) 5.879 3.878 ( -2.467 -3.132 0.000) 3.987 3.944 ( 0.517 -8.205 0.000) 8.221 3.987 ( 3.150 -3.006 0.000) 4.354 3.994 ( -7.182 3.725 0.000) 8.090 4.009 ( -1.314 -3.206 0.000) 3.465 4.118 ( -5.495 -5.748 0.000) 7.952 4.260 ( 4.420 3.196 0.000) 5.455 4.327 ( 0.114 0.811 0.000) 0.819 4.333 ( 2.197 -3.448 0.000) 4.089 4.391 ( 0.253 -4.164 0.000) 4.172 4.496 ( 1.404 7.178 0.000) 7.314 4.508 ( 3.275 2.401 0.000) 4.061 4.620 ( 5.801 -6.136 0.000) 8.444 4.628 ( 3.100 -1.986 0.000) 3.682 4.718 ( -1.955 6.590 0.000) 6.874 4.746 ( -2.900 -0.641 0.000) 2.970 4.785 ( -0.658 0.262 0.000) 0.708 4.795 ( -0.888 -3.516 0.000) 3.627 4.870 ( -0.590 1.803 0.000) 1.897 4.910 ( 0.047 -1.514 0.000) 1.515 4.926 ( -3.405 -2.048 0.000) 3.973 4.939 ( -2.239 -3.590 0.000) 4.231 5.280 ( 8.789 8.540 0.000) 12.254 5.436 ( 3.958 -3.638 0.000) 5.376 5.485 ( -10.345 4.698 0.000) 11.361 5.536 ( 4.788 3.155 0.000) 5.734 5.550 ( -8.080 1.445 0.000) 8.208 5.635 ( 6.062 -4.292 0.000) 7.428 5.674 ( -6.709 0.878 0.000) 6.767 5.756 ( -4.535 -4.137 0.000) 6.139 5.949 ( -1.387 4.578 0.000) 4.783 5.953 ( -0.620 3.137 0.000) 3.198 6.040 ( 1.602 -4.466 0.000) 4.745 6.078 ( -2.266 -6.843 0.000) 7.209 6.281 ( 4.118 3.525 0.000) 5.421 6.337 ( 5.150 -1.728 0.000) 5.432 6.359 ( -2.360 4.283 0.000) 4.890 6.428 ( -3.235 -2.241 0.000) 3.935 6.592 ( 2.287 2.357 0.000) 3.284 6.613 ( 0.319 1.754 0.000) 1.782 6.667 ( 2.598 -2.968 0.000) 3.945 6.674 ( 2.045 -4.828 0.000) 5.243 6.852 ( 5.570 5.064 0.000) 7.528 6.933 ( -2.221 5.365 0.000) 5.807 6.964 ( 4.074 -4.955 0.000) 6.415 7.037 ( -2.236 -4.054 0.000) 4.630 7.169 ( 0.635 3.381 0.000) 3.440 7.203 ( -2.250 3.677 0.000) 4.311 7.224 ( 0.977 -1.651 0.000) 1.919 7.273 ( -3.025 -2.456 0.000) 3.896 7.985 ( 2.376 2.165 0.000) 3.214 8.051 ( 2.375 -3.624 0.000) 4.332 8.056 ( -4.467 2.152 0.000) 4.958 8.115 ( -3.730 -3.010 0.000) 4.793 8.220 ( 0.814 3.091 0.000) 3.196 8.244 ( -1.675 2.456 0.000) 2.973 8.275 ( 0.807 -1.772 0.000) 1.947 8.291 ( -0.804 -1.677 0.000) 1.860 9.922 ( 1.732 1.583 0.000) 2.347 9.961 ( 1.711 -1.698 0.000) 2.410 9.979 ( -3.664 1.463 0.000) 3.945 10.015 ( -3.294 -1.490 0.000) 3.615 10.378 ( 1.237 1.288 0.000) 1.786 10.413 ( 0.337 -1.693 0.000) 1.727 10.428 ( -3.455 0.945 0.000) 3.582 10.451 ( -3.208 -1.000 0.000) 3.360 11.629 ( 1.700 6.935 0.000) 7.140 11.676 ( -2.614 6.045 0.000) 6.586 11.818 ( 2.249 -9.588 0.000) 9.848 11.848 ( 0.618 -8.705 0.000) 8.727 11.963 ( 6.384 2.087 0.000) 6.717 12.019 ( 5.780 -2.737 0.000) 6.395 12.063 ( -1.904 3.600 0.000) 4.072 12.162 ( -3.704 -4.689 0.000) 5.975 12.199 ( 4.477 5.912 0.000) 7.416 12.299 ( 3.841 -3.260 0.000) 5.038 12.302 ( -3.774 4.200 0.000) 5.647 12.380 ( -3.639 -3.107 0.000) 4.785 12.490 ( 10.098 2.084 0.000) 10.311 12.528 ( 11.434 -1.031 0.000) 11.481 12.621 ( -2.979 3.246 0.000) 4.406 12.673 ( -2.783 -1.458 0.000) 3.141 12.716 ( 3.697 2.964 0.000) 4.738 12.789 ( 10.635 -3.217 0.000) 11.110 12.815 ( -6.168 9.058 0.000) 10.959 13.050 ( -11.330 -10.874 0.000) 15.704 13.195 ( 8.636 1.557 0.000) 8.775 13.220 ( 3.377 -0.272 0.000) 3.388 13.360 ( -11.157 3.509 0.000) 11.696 13.422 ( -10.028 -2.271 0.000) 10.282 13.587 ( 0.773 0.038 0.000) 0.774 13.596 ( 1.414 -0.471 0.000) 1.490 13.622 ( -4.199 1.263 0.000) 4.385 13.649 ( -4.119 -0.691 0.000) 4.177 14.816 ( 7.707 3.764 0.000) 8.577 14.842 ( 3.155 7.298 0.000) 7.951 14.930 ( 13.135 -6.319 0.000) 14.576 15.022 ( 1.395 -7.803 0.000) 7.926 15.277 ( 36.488 5.976 0.000) 36.974 15.383 ( 40.203 -3.400 0.000) 40.347 16.061 ( -36.649 6.786 0.000) 37.272 16.211 ( -37.712 -5.790 0.000) 38.154 16.569 ( 16.378 6.967 0.000) 17.798 16.740 ( 12.149 -7.178 0.000) 14.111 17.033 ( -25.149 4.603 0.000) 25.567 17.145 ( -24.581 -4.647 0.000) 25.016 19.618 ( 2.783 1.468 0.000) 3.146 19.655 ( 3.148 -1.584 0.000) 3.524 19.662 ( -1.403 1.691 0.000) 2.197 19.705 ( -1.727 -1.923 0.000) 2.584 20.838 ( 3.111 4.491 0.000) 5.463 20.866 ( 0.181 5.722 0.000) 5.725 20.954 ( 4.086 -5.486 0.000) 6.840 21.017 ( -2.167 -7.269 0.000) 7.585 21.191 ( 4.929 5.305 0.000) 7.241 21.311 ( 6.686 -5.075 0.000) 8.394 21.365 ( -11.140 7.189 0.000) 13.258 21.528 ( -13.321 -7.032 0.000) 15.063 22.189 ( 10.669 6.006 0.000) 12.243 22.320 ( 10.760 -4.915 0.000) 11.830 22.324 ( -2.264 7.715 0.000) 8.040 22.485 ( -5.113 -5.841 0.000) 7.763 23.580 ( 1.341 1.498 0.000) 2.010 23.612 ( -2.016 1.700 0.000) 2.637 23.623 ( 0.868 -2.150 0.000) 2.318 23.659 ( -2.707 -2.303 0.000) 3.554 23.799 ( 2.436 2.784 0.000) 3.699 23.857 ( 3.008 -2.198 0.000) 3.726 23.861 ( -3.592 3.147 0.000) 4.775 23.931 ( -4.013 -2.806 0.000) 4.897 ======================= Grid point 27 (11/30) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 0.000 20.398) 20.398 0.538 ( 0.000 0.000 27.051) 27.051 0.546 ( 0.000 0.000 28.761) 28.761 1.235 ( 0.000 0.000 15.719) 15.719 1.388 ( 0.000 0.000 -8.616) 8.616 1.694 ( 0.000 0.000 -0.735) 0.735 1.868 ( 0.000 0.000 -15.428) 15.428 1.889 ( 0.000 0.000 -10.574) 10.574 1.935 ( 0.000 0.000 -0.238) 0.238 2.066 ( 0.000 0.000 -5.626) 5.626 2.333 ( 0.000 0.000 -3.882) 3.882 2.342 ( 0.000 0.000 8.034) 8.034 2.362 ( 0.000 0.000 -3.382) 3.382 2.489 ( 0.000 0.000 3.197) 3.197 2.623 ( 0.000 0.000 -2.174) 2.174 2.673 ( 0.000 0.000 0.233) 0.233 2.710 ( 0.000 0.000 6.052) 6.052 2.802 ( 0.000 0.000 -4.234) 4.234 2.857 ( 0.000 0.000 -6.558) 6.558 2.885 ( 0.000 0.000 -2.904) 2.904 2.944 ( 0.000 0.000 3.673) 3.673 2.957 ( 0.000 0.000 4.540) 4.540 3.248 ( 0.000 0.000 -2.025) 2.025 3.297 ( 0.000 0.000 9.212) 9.212 3.303 ( 0.000 0.000 2.626) 2.626 3.337 ( 0.000 0.000 -0.675) 0.675 3.344 ( 0.000 0.000 1.610) 1.610 3.423 ( 0.000 0.000 -1.703) 1.703 3.439 ( 0.000 0.000 -3.882) 3.882 3.507 ( 0.000 0.000 1.269) 1.269 3.591 ( 0.000 0.000 -3.457) 3.457 3.613 ( 0.000 0.000 -6.015) 6.015 3.635 ( 0.000 0.000 -2.259) 2.259 3.674 ( 0.000 0.000 -1.056) 1.056 3.787 ( 0.000 0.000 3.677) 3.677 3.822 ( 0.000 0.000 5.840) 5.840 3.889 ( 0.000 0.000 -5.051) 5.051 3.989 ( 0.000 0.000 1.648) 1.648 3.990 ( 0.000 0.000 1.178) 1.178 4.007 ( 0.000 0.000 8.917) 8.917 4.092 ( 0.000 0.000 -1.019) 1.019 4.142 ( 0.000 0.000 3.847) 3.847 4.184 ( 0.000 0.000 -1.298) 1.298 4.235 ( 0.000 0.000 5.081) 5.081 4.269 ( 0.000 0.000 2.485) 2.485 4.335 ( 0.000 0.000 -0.746) 0.746 4.383 ( 0.000 0.000 -1.769) 1.769 4.423 ( 0.000 0.000 2.512) 2.512 4.435 ( 0.000 0.000 -1.286) 1.286 4.513 ( 0.000 0.000 -9.351) 9.351 4.565 ( 0.000 0.000 -2.978) 2.978 4.609 ( 0.000 0.000 -2.395) 2.395 4.625 ( 0.000 0.000 2.944) 2.944 4.630 ( 0.000 0.000 -5.989) 5.989 4.738 ( 0.000 0.000 -2.581) 2.581 4.838 ( 0.000 0.000 3.659) 3.659 4.882 ( 0.000 0.000 2.030) 2.030 4.903 ( 0.000 0.000 5.250) 5.250 5.074 ( 0.000 0.000 0.272) 0.272 5.099 ( 0.000 0.000 0.642) 0.642 5.117 ( 0.000 0.000 2.680) 2.680 5.140 ( 0.000 0.000 1.821) 1.821 5.173 ( 0.000 0.000 -0.489) 0.489 5.287 ( 0.000 0.000 -0.810) 0.810 5.393 ( 0.000 0.000 -3.362) 3.362 5.507 ( 0.000 0.000 -11.583) 11.583 5.625 ( 0.000 0.000 -0.087) 0.087 5.798 ( 0.000 0.000 -5.783) 5.783 5.804 ( 0.000 0.000 2.255) 2.255 6.004 ( 0.000 0.000 9.599) 9.599 6.103 ( 0.000 0.000 4.494) 4.494 6.164 ( 0.000 0.000 -8.415) 8.415 6.215 ( 0.000 0.000 -1.410) 1.410 6.315 ( 0.000 0.000 3.073) 3.073 6.452 ( 0.000 0.000 4.376) 4.376 6.488 ( 0.000 0.000 -5.103) 5.103 6.637 ( 0.000 0.000 1.952) 1.952 6.646 ( 0.000 0.000 -3.204) 3.204 6.711 ( 0.000 0.000 0.667) 0.667 6.745 ( 0.000 0.000 -2.714) 2.714 6.747 ( 0.000 0.000 1.285) 1.285 6.803 ( 0.000 0.000 0.378) 0.378 6.901 ( 0.000 0.000 2.959) 2.959 7.009 ( 0.000 0.000 0.227) 0.227 7.131 ( 0.000 0.000 0.755) 0.755 7.135 ( 0.000 0.000 1.023) 1.023 7.276 ( 0.000 0.000 -0.716) 0.716 7.369 ( 0.000 0.000 -2.506) 2.506 7.917 ( 0.000 0.000 3.055) 3.055 8.019 ( 0.000 0.000 3.293) 3.293 8.120 ( 0.000 0.000 -2.153) 2.153 8.242 ( 0.000 0.000 -3.542) 3.542 8.270 ( 0.000 0.000 2.116) 2.116 8.471 ( 0.000 0.000 -3.117) 3.117 8.479 ( 0.000 0.000 9.058) 9.058 8.895 ( 0.000 0.000 -3.623) 3.623 9.996 ( 0.000 0.000 4.307) 4.307 10.132 ( 0.000 0.000 3.517) 3.517 10.320 ( 0.000 0.000 -3.126) 3.126 10.488 ( 0.000 0.000 -4.792) 4.792 10.513 ( 0.000 0.000 2.863) 2.863 10.579 ( 0.000 0.000 2.219) 2.219 10.741 ( 0.000 0.000 -3.431) 3.431 10.773 ( 0.000 0.000 -3.196) 3.196 10.981 ( 0.000 0.000 0.260) 0.260 11.049 ( 0.000 0.000 -1.575) 1.575 11.077 ( 0.000 0.000 0.547) 0.547 11.110 ( 0.000 0.000 -0.215) 0.215 11.357 ( 0.000 0.000 -0.160) 0.160 11.453 ( 0.000 0.000 -1.876) 1.876 11.596 ( 0.000 0.000 1.523) 1.523 11.735 ( 0.000 0.000 -2.591) 2.591 11.800 ( 0.000 0.000 0.228) 0.228 11.938 ( 0.000 0.000 -3.155) 3.155 12.072 ( 0.000 0.000 5.545) 5.545 12.228 ( 0.000 0.000 -5.192) 5.192 12.236 ( 0.000 0.000 0.694) 0.694 12.395 ( 0.000 0.000 -4.909) 4.909 12.442 ( 0.000 0.000 -7.539) 7.539 12.463 ( 0.000 0.000 -4.250) 4.250 12.649 ( 0.000 0.000 6.981) 6.981 12.658 ( 0.000 0.000 4.199) 4.199 12.721 ( 0.000 0.000 14.928) 14.928 12.736 ( 0.000 0.000 7.870) 7.870 12.931 ( 0.000 0.000 3.724) 3.724 13.219 ( 0.000 0.000 -5.715) 5.715 13.334 ( 0.000 0.000 -7.440) 7.440 13.429 ( 0.000 0.000 -6.705) 6.705 13.472 ( 0.000 0.000 4.045) 4.045 13.576 ( 0.000 0.000 1.288) 1.288 13.783 ( 0.000 0.000 1.198) 1.198 13.812 ( 0.000 0.000 -0.858) 0.858 13.966 ( 0.000 0.000 0.164) 0.164 13.974 ( 0.000 0.000 -0.095) 0.095 14.021 ( 0.000 0.000 10.584) 10.584 14.995 ( 0.000 0.000 -15.259) 15.259 15.600 ( 0.000 0.000 5.595) 5.595 16.192 ( 0.000 0.000 -11.799) 11.799 16.597 ( 0.000 0.000 7.600) 7.600 16.869 ( 0.000 0.000 -1.989) 1.989 17.700 ( 0.000 0.000 2.469) 2.469 17.994 ( 0.000 0.000 -5.151) 5.151 18.125 ( 0.000 0.000 3.206) 3.206 18.532 ( 0.000 0.000 -8.337) 8.337 19.458 ( 0.000 0.000 4.283) 4.283 19.628 ( 0.000 0.000 -1.299) 1.299 19.794 ( 0.000 0.000 1.746) 1.746 19.855 ( 0.000 0.000 9.563) 9.563 19.909 ( 0.000 0.000 -1.668) 1.668 20.042 ( 0.000 0.000 13.427) 13.427 20.526 ( 0.000 0.000 -3.226) 3.226 20.674 ( 0.000 0.000 -1.521) 1.521 20.815 ( 0.000 0.000 -5.885) 5.885 20.941 ( 0.000 0.000 -5.665) 5.665 21.251 ( 0.000 0.000 3.343) 3.343 21.545 ( 0.000 0.000 -4.036) 4.036 21.608 ( 0.000 0.000 10.801) 10.801 22.017 ( 0.000 0.000 -1.570) 1.570 22.474 ( 0.000 0.000 2.892) 2.892 23.069 ( 0.000 0.000 -17.788) 17.788 23.505 ( 0.000 0.000 2.743) 2.743 23.671 ( 0.000 0.000 1.015) 1.015 23.817 ( 0.000 0.000 -1.776) 1.776 23.865 ( 0.000 0.000 9.596) 9.596 23.908 ( 0.000 0.000 -1.910) 1.910 24.087 ( 0.000 0.000 0.676) 0.676 24.098 ( 0.000 0.000 -0.849) 0.849 24.132 ( 0.000 0.000 -0.307) 0.307 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 12.899 0.000 19.206) 23.135 0.694 ( 11.177 0.000 18.936) 21.988 0.861 ( 29.477 0.000 13.451) 32.401 1.314 ( 5.879 0.000 14.128) 15.303 1.483 ( -3.383 0.000 2.806) 4.395 1.604 ( 14.731 0.000 -7.994) 16.760 1.862 ( 2.310 0.000 -9.668) 9.940 1.926 ( -0.506 0.000 -4.585) 4.612 2.050 ( -0.837 0.000 -5.975) 6.033 2.113 ( -8.291 0.000 -0.241) 8.294 2.240 ( 17.589 0.000 -10.768) 20.623 2.374 ( 1.915 0.000 -3.073) 3.621 2.470 ( 3.130 0.000 7.250) 7.897 2.523 ( 2.191 0.000 0.870) 2.358 2.646 ( 0.847 0.000 -0.318) 0.905 2.758 ( -5.753 0.000 2.361) 6.219 2.780 ( 7.897 0.000 -7.174) 10.669 2.797 ( -0.185 0.000 -2.574) 2.581 2.906 ( 8.135 0.000 -1.149) 8.216 2.929 ( 0.658 0.000 2.161) 2.259 3.039 ( 2.665 0.000 -3.072) 4.067 3.052 ( 4.079 0.000 -7.044) 8.140 3.273 ( -2.723 0.000 1.993) 3.375 3.290 ( -0.050 0.000 -0.859) 0.861 3.306 ( 1.202 0.000 0.931) 1.520 3.317 ( 1.139 0.000 4.150) 4.303 3.408 ( 3.925 0.000 -3.587) 5.317 3.412 ( -1.037 0.000 0.393) 1.109 3.461 ( 5.063 0.000 -0.221) 5.067 3.493 ( -7.985 0.000 -1.831) 8.192 3.550 ( -2.141 0.000 -2.155) 3.038 3.558 ( -0.761 0.000 0.918) 1.192 3.615 ( -2.622 0.000 -0.951) 2.789 3.645 ( 1.464 0.000 -6.088) 6.261 3.778 ( -0.940 0.000 2.813) 2.966 3.809 ( -1.664 0.000 5.004) 5.273 3.907 ( -5.399 0.000 3.642) 6.513 3.950 ( 3.010 0.000 -4.615) 5.510 3.983 ( -3.410 0.000 7.758) 8.474 4.038 ( -1.297 0.000 4.277) 4.470 4.070 ( 0.996 0.000 1.860) 2.109 4.116 ( 7.601 0.000 0.227) 7.604 4.172 ( -10.237 0.000 -5.384) 11.566 4.216 ( -2.825 0.000 -1.742) 3.319 4.243 ( 0.595 0.000 4.750) 4.787 4.299 ( 0.709 0.000 -0.072) 0.712 4.322 ( -3.815 0.000 -0.136) 3.817 4.362 ( 0.151 0.000 -0.828) 0.841 4.495 ( -2.535 0.000 0.398) 2.566 4.515 ( -5.602 0.000 -6.240) 8.386 4.525 ( -0.154 0.000 -2.390) 2.395 4.672 ( 2.401 0.000 -2.937) 3.794 4.675 ( 2.509 0.000 -3.564) 4.358 4.708 ( -6.167 0.000 4.729) 7.771 4.728 ( 1.066 0.000 3.343) 3.509 4.782 ( 10.248 0.000 -5.337) 11.555 4.847 ( -2.350 0.000 1.482) 2.778 4.974 ( 3.980 0.000 0.353) 3.996 5.035 ( -4.220 0.000 1.927) 4.639 5.059 ( 0.011 0.000 0.164) 0.164 5.108 ( -1.923 0.000 0.667) 2.035 5.146 ( 2.328 0.000 1.144) 2.593 5.289 ( 1.731 0.000 -0.480) 1.796 5.374 ( 9.923 0.000 -3.142) 10.408 5.509 ( 9.840 0.000 -7.281) 12.240 5.584 ( 6.113 0.000 -7.872) 9.967 5.758 ( 11.009 0.000 -1.156) 11.069 5.818 ( 1.759 0.000 3.114) 3.576 5.850 ( 4.670 0.000 -4.907) 6.774 6.005 ( -1.991 0.000 8.724) 8.949 6.071 ( -2.842 0.000 4.332) 5.181 6.142 ( 0.413 0.000 -5.512) 5.527 6.207 ( -2.048 0.000 -2.239) 3.034 6.289 ( -1.548 0.000 3.961) 4.253 6.385 ( -5.268 0.000 -0.726) 5.318 6.488 ( -6.519 0.000 3.074) 7.208 6.490 ( -7.386 0.000 3.874) 8.341 6.620 ( -1.628 0.000 0.609) 1.738 6.622 ( -3.872 0.000 1.365) 4.105 6.674 ( -1.466 0.000 -1.871) 2.377 6.737 ( -0.808 0.000 -1.531) 1.732 6.820 ( 1.410 0.000 0.250) 1.432 6.957 ( 3.393 0.000 2.077) 3.979 7.050 ( 2.816 0.000 0.172) 2.821 7.105 ( -2.003 0.000 0.852) 2.176 7.142 ( 0.503 0.000 0.748) 0.901 7.273 ( 1.128 0.000 1.447) 1.835 7.329 ( -0.689 0.000 1.438) 1.595 7.919 ( 0.275 0.000 2.865) 2.878 8.034 ( 1.240 0.000 2.727) 2.996 8.117 ( -0.283 0.000 -2.339) 2.356 8.235 ( -0.452 0.000 -2.981) 3.016 8.262 ( -0.788 0.000 2.055) 2.201 8.423 ( -4.372 0.000 -2.327) 4.953 8.446 ( -2.512 0.000 7.654) 8.056 8.653 ( -10.007 0.000 5.849) 11.591 9.978 ( -1.608 0.000 3.900) 4.219 10.071 ( -2.820 0.000 4.939) 5.687 10.264 ( -4.825 0.000 -2.642) 5.501 10.372 ( -8.069 0.000 -2.050) 8.325 10.488 ( -2.315 0.000 2.316) 3.275 10.588 ( -1.027 0.000 -0.331) 1.079 10.698 ( -3.927 0.000 -3.244) 5.094 10.738 ( -3.364 0.000 -3.002) 4.508 11.172 ( 16.011 0.000 0.473) 16.018 11.260 ( 18.772 0.000 -1.606) 18.840 11.317 ( 17.028 0.000 0.110) 17.029 11.363 ( 14.860 0.000 -1.979) 14.992 11.407 ( 4.636 0.000 -0.071) 4.636 11.495 ( 3.865 0.000 -1.579) 4.175 11.607 ( 1.131 0.000 1.501) 1.879 11.756 ( 1.713 0.000 -3.627) 4.012 11.923 ( 9.799 0.000 0.540) 9.814 12.038 ( -2.182 0.000 5.806) 6.203 12.202 ( 2.183 0.000 -8.085) 8.375 12.266 ( 2.175 0.000 2.137) 3.050 12.325 ( 11.112 0.000 -8.209) 13.815 12.380 ( -1.092 0.000 -5.764) 5.866 12.461 ( 1.144 0.000 -5.095) 5.222 12.496 ( 2.471 0.000 -3.248) 4.081 12.633 ( 1.320 0.000 4.275) 4.474 12.708 ( 4.206 0.000 3.704) 5.604 12.735 ( 4.430 0.000 5.847) 7.336 12.869 ( 5.664 0.000 6.969) 8.980 12.954 ( 2.388 0.000 3.162) 3.963 13.295 ( 8.182 0.000 -6.017) 10.157 13.341 ( 0.454 0.000 -7.843) 7.856 13.477 ( 7.767 0.000 -1.021) 7.834 13.531 ( 2.989 0.000 1.189) 3.216 13.677 ( 10.102 0.000 -2.292) 10.359 13.726 ( -5.077 0.000 2.586) 5.697 13.827 ( 0.530 0.000 -1.353) 1.453 13.980 ( -1.946 0.000 8.823) 9.035 13.992 ( 1.393 0.000 1.131) 1.795 14.007 ( 3.292 0.000 0.349) 3.310 14.771 ( -17.955 0.000 -11.580) 21.366 15.385 ( -30.028 0.000 17.857) 34.936 15.420 ( -18.858 0.000 8.351) 20.625 16.456 ( -3.923 0.000 2.969) 4.919 17.075 ( -3.921 0.000 -15.436) 15.926 17.587 ( -10.735 0.000 2.530) 11.029 17.877 ( -11.119 0.000 -5.013) 12.197 18.075 ( -6.347 0.000 4.272) 7.651 18.446 ( -8.573 0.000 -6.916) 11.015 19.439 ( -0.245 0.000 2.889) 2.899 19.512 ( -3.564 0.000 7.952) 8.715 19.624 ( 0.288 0.000 -1.377) 1.407 19.811 ( -1.375 0.000 2.282) 2.664 20.147 ( 22.085 0.000 7.831) 23.432 20.613 ( 3.350 0.000 1.952) 3.877 20.725 ( 6.864 0.000 -2.887) 7.446 20.872 ( 15.980 0.000 -11.112) 19.464 21.001 ( 7.041 0.000 -9.073) 11.485 21.227 ( 9.289 0.000 -6.273) 11.209 21.255 ( 22.607 0.000 -13.919) 26.549 21.478 ( -5.817 0.000 -3.274) 6.675 21.647 ( 3.861 0.000 9.415) 10.176 21.977 ( -3.440 0.000 -1.047) 3.596 22.448 ( -1.998 0.000 2.593) 3.273 22.944 ( -11.078 0.000 -14.649) 18.366 23.505 ( 0.095 0.000 2.484) 2.486 23.676 ( 0.225 0.000 0.322) 0.393 23.784 ( -2.667 0.000 -0.771) 2.776 23.807 ( -9.648 0.000 11.727) 15.185 23.849 ( -1.992 0.000 8.597) 8.825 23.900 ( -1.063 0.000 -1.849) 2.133 24.081 ( -2.940 0.000 -0.196) 2.947 24.170 ( -0.984 0.000 -2.327) 2.527 ======================= Grid point 29 (13/30) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 15.010 0.000 13.285) 20.045 0.954 ( 14.682 0.000 10.890) 18.280 1.440 ( 21.764 0.000 9.676) 23.818 1.462 ( 10.798 0.000 5.665) 12.194 1.651 ( 13.723 0.000 9.906) 16.925 1.742 ( 4.536 0.000 -6.405) 7.849 1.892 ( 1.007 0.000 -2.327) 2.536 2.012 ( 2.099 0.000 -6.439) 6.772 2.066 ( 3.203 0.000 -3.830) 4.993 2.234 ( 20.954 0.000 -5.617) 21.693 2.354 ( -0.483 0.000 -3.430) 3.464 2.494 ( 1.278 0.000 -6.620) 6.742 2.511 ( 0.037 0.000 1.992) 1.993 2.569 ( 3.595 0.000 6.474) 7.405 2.680 ( 3.070 0.000 -3.806) 4.890 2.730 ( 2.356 0.000 4.544) 5.119 2.827 ( 4.594 0.000 -0.691) 4.646 2.857 ( -10.897 0.000 -2.580) 11.199 2.939 ( 0.237 0.000 0.715) 0.753 2.946 ( 8.158 0.000 -4.154) 9.155 3.053 ( -1.185 0.000 -6.585) 6.691 3.128 ( 3.874 0.000 2.552) 4.639 3.192 ( -3.667 0.000 0.991) 3.799 3.278 ( 0.354 0.000 -3.489) 3.507 3.304 ( -5.515 0.000 1.109) 5.625 3.357 ( -1.424 0.000 -1.233) 1.884 3.383 ( -1.369 0.000 1.080) 1.744 3.397 ( -1.169 0.000 -1.976) 2.296 3.442 ( -3.299 0.000 1.564) 3.651 3.472 ( 0.023 0.000 0.370) 0.371 3.535 ( -2.884 0.000 -0.192) 2.891 3.583 ( 0.013 0.000 -1.890) 1.890 3.586 ( 8.382 0.000 -0.222) 8.385 3.666 ( -1.379 0.000 -0.718) 1.555 3.702 ( -5.127 0.000 -1.001) 5.224 3.720 ( -4.406 0.000 -2.767) 5.203 3.835 ( -2.034 0.000 5.907) 6.247 3.912 ( -7.461 0.000 -3.227) 8.129 3.948 ( -0.783 0.000 2.681) 2.793 4.007 ( 0.160 0.000 -0.625) 0.645 4.064 ( 3.465 0.000 1.652) 3.838 4.123 ( -5.864 0.000 -2.538) 6.390 4.198 ( 4.054 0.000 0.515) 4.086 4.218 ( -3.225 0.000 1.222) 3.449 4.235 ( 0.909 0.000 0.993) 1.347 4.270 ( 0.981 0.000 0.332) 1.036 4.277 ( -7.313 0.000 0.523) 7.331 4.331 ( 6.590 0.000 1.532) 6.766 4.415 ( 2.374 0.000 0.819) 2.511 4.507 ( -1.461 0.000 -1.007) 1.774 4.533 ( -2.846 0.000 2.825) 4.010 4.589 ( 2.102 0.000 7.067) 7.373 4.668 ( -2.685 0.000 0.481) 2.728 4.739 ( 0.209 0.000 1.880) 1.892 4.741 ( 0.526 0.000 -2.691) 2.742 4.841 ( 0.687 0.000 -1.368) 1.531 4.882 ( -0.718 0.000 -6.554) 6.593 4.960 ( -0.990 0.000 1.161) 1.526 5.036 ( -4.082 0.000 -2.853) 4.981 5.051 ( 2.515 0.000 1.446) 2.901 5.072 ( -0.139 0.000 0.087) 0.164 5.255 ( 8.507 0.000 -1.460) 8.631 5.352 ( 3.576 0.000 -0.966) 3.704 5.489 ( 1.554 0.000 -2.497) 2.941 5.703 ( 6.501 0.000 -4.701) 8.023 5.713 ( 5.135 0.000 -2.182) 5.579 5.896 ( -0.157 0.000 1.694) 1.701 5.929 ( -1.241 0.000 2.009) 2.361 5.929 ( 2.489 0.000 2.289) 3.381 6.017 ( 10.661 0.000 -1.552) 10.773 6.029 ( 4.031 0.000 -1.759) 4.399 6.105 ( -6.846 0.000 -0.091) 6.847 6.150 ( -4.708 0.000 1.535) 4.952 6.249 ( -6.965 0.000 0.788) 7.009 6.268 ( -1.027 0.000 1.769) 2.046 6.365 ( 2.836 0.000 -0.368) 2.859 6.428 ( -0.004 0.000 1.997) 1.997 6.569 ( -3.200 0.000 -1.924) 3.734 6.625 ( 1.877 0.000 -1.420) 2.354 6.643 ( -1.159 0.000 -1.783) 2.127 6.706 ( -2.195 0.000 0.518) 2.255 6.851 ( 1.281 0.000 -0.087) 1.284 7.011 ( 1.731 0.000 2.052) 2.685 7.072 ( -0.771 0.000 0.649) 1.008 7.110 ( 2.508 0.000 -0.859) 2.651 7.149 ( 0.024 0.000 0.405) 0.405 7.303 ( 0.260 0.000 1.955) 1.972 7.337 ( 1.641 0.000 1.834) 2.461 7.929 ( 0.608 0.000 2.300) 2.379 8.062 ( 1.319 0.000 1.939) 2.345 8.110 ( -0.425 0.000 -2.830) 2.862 8.233 ( 0.262 0.000 -2.374) 2.389 8.238 ( -1.447 0.000 1.660) 2.202 8.305 ( -6.308 0.000 -0.317) 6.315 8.394 ( -2.355 0.000 4.953) 5.485 8.491 ( -6.661 0.000 3.411) 7.483 9.937 ( -2.054 0.000 2.836) 3.502 10.015 ( -2.446 0.000 3.029) 3.893 10.149 ( -5.653 0.000 -2.130) 6.041 10.212 ( -6.741 0.000 -1.363) 6.877 10.424 ( -3.356 0.000 1.625) 3.729 10.535 ( -3.453 0.000 -0.750) 3.533 10.596 ( -5.411 0.000 -2.735) 6.063 10.644 ( -5.319 0.000 -2.612) 5.926 11.475 ( 7.860 0.000 2.099) 8.135 11.535 ( 7.272 0.000 -0.045) 7.273 11.604 ( 6.539 0.000 -1.241) 6.656 11.661 ( 10.770 0.000 0.086) 10.771 11.661 ( 14.366 0.000 0.602) 14.378 11.733 ( 14.415 0.000 -3.197) 14.765 11.734 ( 20.230 0.000 -0.899) 20.250 11.791 ( 4.653 0.000 -2.730) 5.395 12.038 ( 3.790 0.000 6.869) 7.845 12.082 ( 4.361 0.000 -0.508) 4.391 12.251 ( 2.141 0.000 -0.060) 2.142 12.309 ( 1.499 0.000 1.867) 2.395 12.345 ( -2.096 0.000 -3.340) 3.944 12.416 ( 2.420 0.000 -0.802) 2.549 12.520 ( 4.247 0.000 -2.658) 5.010 12.551 ( 1.481 0.000 -3.493) 3.794 12.690 ( 3.437 0.000 3.368) 4.813 12.796 ( 2.314 0.000 1.982) 3.047 12.818 ( 2.449 0.000 6.381) 6.835 12.935 ( 1.985 0.000 1.184) 2.311 13.048 ( 6.615 0.000 0.433) 6.629 13.335 ( -1.674 0.000 -8.911) 9.067 13.458 ( 4.846 0.000 -1.025) 4.954 13.563 ( 1.546 0.000 -0.802) 1.741 13.597 ( -5.300 0.000 5.344) 7.527 13.793 ( -3.499 0.000 -0.800) 3.590 13.858 ( 18.932 0.000 -0.550) 18.940 13.912 ( 9.645 0.000 -0.979) 9.695 14.032 ( 2.767 0.000 1.562) 3.178 14.078 ( 13.354 0.000 3.124) 13.715 14.125 ( 13.837 0.000 1.362) 13.904 14.434 ( -9.418 0.000 -5.341) 10.827 14.895 ( -18.020 0.000 7.365) 19.467 15.105 ( -9.757 0.000 0.143) 9.758 16.362 ( -4.669 0.000 2.174) 5.150 16.890 ( -10.761 0.000 -11.646) 15.856 17.255 ( -20.952 0.000 2.750) 21.132 17.536 ( -21.389 0.000 -4.387) 21.834 17.860 ( -14.005 0.000 4.723) 14.780 18.169 ( -17.779 0.000 -4.314) 18.295 19.471 ( 3.016 0.000 1.930) 3.581 19.528 ( 3.518 0.000 4.721) 5.888 19.642 ( 1.211 0.000 -1.097) 1.634 19.794 ( -0.467 0.000 0.877) 0.994 20.547 ( 11.260 0.000 4.301) 12.053 20.668 ( 5.196 0.000 3.559) 6.298 20.856 ( 4.625 0.000 -1.001) 4.732 21.036 ( 0.827 0.000 -2.697) 2.821 21.260 ( 14.459 0.000 -12.535) 19.136 21.271 ( 2.718 0.000 0.459) 2.757 21.333 ( -6.188 0.000 -1.937) 6.484 21.693 ( 13.713 0.000 -12.764) 18.734 21.747 ( 3.742 0.000 7.620) 8.489 21.933 ( 2.572 0.000 -0.043) 2.572 22.367 ( -7.364 0.000 2.839) 7.893 22.701 ( -8.689 0.000 -8.213) 11.956 23.514 ( 0.785 0.000 1.839) 2.000 23.667 ( -1.305 0.000 -1.581) 2.050 23.707 ( -0.858 0.000 6.768) 6.822 23.728 ( -2.311 0.000 1.491) 2.750 23.832 ( -0.098 0.000 4.316) 4.317 23.855 ( -3.322 0.000 -1.426) 3.616 23.998 ( -4.486 0.000 -0.064) 4.487 24.124 ( -3.164 0.000 -1.657) 3.571 ======================= Grid point 30 (14/30) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 13.818 0.000 9.121) 16.557 1.316 ( 18.790 0.000 7.089) 20.082 1.683 ( 5.591 0.000 5.573) 7.894 1.721 ( 11.613 0.000 6.646) 13.380 1.911 ( 6.104 0.000 -7.101) 9.364 1.916 ( 10.519 0.000 -0.669) 10.540 1.982 ( 7.572 0.000 5.001) 9.074 2.119 ( 7.630 0.000 -9.935) 12.527 2.200 ( 8.698 0.000 0.978) 8.753 2.319 ( -2.378 0.000 -2.696) 3.595 2.477 ( -1.094 0.000 0.027) 1.094 2.488 ( 1.940 0.000 0.045) 1.940 2.589 ( -5.188 0.000 6.094) 8.003 2.611 ( 6.596 0.000 -0.188) 6.599 2.731 ( 0.214 0.000 -10.979) 10.981 2.738 ( -0.623 0.000 3.544) 3.598 2.798 ( 12.642 0.000 -3.953) 13.245 2.895 ( -0.760 0.000 1.989) 2.129 2.963 ( 2.361 0.000 0.419) 2.397 3.033 ( 0.071 0.000 -8.106) 8.107 3.059 ( 0.130 0.000 3.887) 3.890 3.136 ( -3.201 0.000 0.786) 3.296 3.144 ( -1.814 0.000 1.445) 2.319 3.183 ( -10.376 0.000 1.445) 10.476 3.221 ( -1.130 0.000 -2.224) 2.494 3.263 ( -5.480 0.000 1.904) 5.801 3.293 ( -1.334 0.000 3.528) 3.772 3.393 ( 0.387 0.000 -3.443) 3.464 3.437 ( 1.973 0.000 -5.169) 5.533 3.446 ( -2.745 0.000 -0.652) 2.822 3.478 ( -2.995 0.000 1.118) 3.197 3.571 ( -1.788 0.000 1.975) 2.664 3.573 ( -0.387 0.000 -3.140) 3.163 3.627 ( -2.536 0.000 -1.021) 2.734 3.690 ( 0.630 0.000 -4.484) 4.528 3.777 ( -4.852 0.000 -3.029) 5.720 3.786 ( -1.778 0.000 5.888) 6.150 3.831 ( 11.072 0.000 0.715) 11.095 3.919 ( -2.613 0.000 4.297) 5.029 4.059 ( -0.154 0.000 -1.339) 1.348 4.066 ( 2.789 0.000 -2.383) 3.669 4.113 ( -0.134 0.000 4.267) 4.269 4.140 ( -2.789 0.000 -0.308) 2.806 4.159 ( -2.921 0.000 0.042) 2.921 4.200 ( 0.810 0.000 -1.885) 2.051 4.219 ( -5.580 0.000 2.575) 6.145 4.294 ( 2.798 0.000 -1.563) 3.205 4.448 ( -3.709 0.000 -2.635) 4.550 4.494 ( 4.071 0.000 6.080) 7.318 4.504 ( 0.479 0.000 1.180) 1.274 4.548 ( 10.581 0.000 2.691) 10.917 4.577 ( -5.337 0.000 -1.764) 5.621 4.673 ( -2.106 0.000 -0.479) 2.160 4.732 ( 5.509 0.000 2.750) 6.157 4.734 ( -1.037 0.000 0.157) 1.049 4.849 ( -1.658 0.000 -5.319) 5.571 4.858 ( 1.155 0.000 -0.887) 1.456 4.928 ( -5.347 0.000 -2.855) 6.061 4.971 ( 1.942 0.000 3.404) 3.919 5.061 ( -1.239 0.000 0.054) 1.240 5.096 ( 2.492 0.000 2.910) 3.831 5.418 ( 2.695 0.000 -2.216) 3.489 5.453 ( 8.695 0.000 -3.573) 9.400 5.456 ( -3.361 0.000 -2.637) 4.272 5.696 ( -6.662 0.000 4.582) 8.086 5.801 ( -8.266 0.000 8.315) 11.724 5.806 ( 1.176 0.000 1.114) 1.620 5.896 ( 4.816 0.000 -0.060) 4.816 5.948 ( -7.058 0.000 1.022) 7.132 5.949 ( -5.922 0.000 -2.571) 6.456 6.065 ( 1.088 0.000 4.084) 4.227 6.146 ( 5.183 0.000 -3.773) 6.411 6.196 ( 1.482 0.000 1.144) 1.873 6.224 ( 6.039 0.000 -2.296) 6.461 6.251 ( 0.633 0.000 0.361) 0.728 6.451 ( 2.656 0.000 -3.891) 4.711 6.498 ( -3.196 0.000 -3.535) 4.765 6.510 ( 5.066 0.000 -3.847) 6.361 6.648 ( 4.074 0.000 0.797) 4.152 6.660 ( -1.280 0.000 0.862) 1.543 6.697 ( 4.536 0.000 0.109) 4.538 6.857 ( -1.082 0.000 -1.592) 1.925 7.031 ( 0.415 0.000 1.577) 1.630 7.074 ( 0.798 0.000 0.289) 0.849 7.139 ( 0.001 0.000 -1.885) 1.885 7.141 ( -0.746 0.000 0.548) 0.926 7.290 ( -1.119 0.000 3.285) 3.471 7.357 ( -0.540 0.000 0.771) 0.942 7.944 ( 0.840 0.000 1.626) 1.830 8.091 ( 1.558 0.000 1.482) 2.150 8.093 ( -1.733 0.000 -3.101) 3.553 8.182 ( -3.811 0.000 1.088) 3.964 8.209 ( -1.898 0.000 1.386) 2.351 8.236 ( -0.454 0.000 -2.589) 2.628 8.344 ( -2.750 0.000 2.724) 3.870 8.373 ( -3.746 0.000 3.345) 5.022 9.903 ( -0.906 0.000 1.545) 1.791 9.978 ( -0.906 0.000 1.312) 1.594 10.038 ( -4.794 0.000 -1.718) 5.093 10.096 ( -4.390 0.000 -1.320) 4.584 10.369 ( -1.544 0.000 1.082) 1.885 10.464 ( -3.007 0.000 -0.829) 3.120 10.487 ( -4.677 0.000 -1.941) 5.064 10.532 ( -5.009 0.000 -2.074) 5.421 11.534 ( 1.007 0.000 2.046) 2.281 11.650 ( 0.614 0.000 -0.746) 0.966 11.761 ( 8.063 0.000 -0.714) 8.095 11.780 ( 5.883 0.000 -2.455) 6.374 11.885 ( 8.634 0.000 2.122) 8.890 11.925 ( 8.942 0.000 2.103) 9.186 12.015 ( 5.846 0.000 -0.010) 5.847 12.093 ( 7.622 0.000 -2.663) 8.074 12.185 ( 9.725 0.000 0.631) 9.746 12.207 ( 8.217 0.000 1.602) 8.371 12.293 ( 5.301 0.000 1.187) 5.432 12.298 ( -2.661 0.000 -0.872) 2.801 12.322 ( 0.131 0.000 -0.126) 0.182 12.506 ( 5.837 0.000 -2.952) 6.541 12.512 ( -5.064 0.000 -2.819) 5.795 12.612 ( 4.559 0.000 -0.597) 4.598 12.746 ( 1.475 0.000 4.550) 4.783 12.800 ( -3.453 0.000 6.857) 7.678 12.816 ( 0.459 0.000 5.369) 5.389 12.993 ( 4.124 0.000 -0.969) 4.236 13.154 ( 1.796 0.000 -3.837) 4.237 13.267 ( -3.848 0.000 -5.910) 7.052 13.516 ( 1.025 0.000 0.986) 1.422 13.568 ( 1.432 0.000 2.568) 2.940 13.585 ( 0.592 0.000 -0.346) 0.686 13.714 ( -3.498 0.000 -0.845) 3.598 13.776 ( -15.053 0.000 0.415) 15.059 13.797 ( -14.744 0.000 0.364) 14.749 14.510 ( 24.444 0.000 1.054) 24.466 14.524 ( 18.524 0.000 0.431) 18.529 14.556 ( 28.121 0.000 -0.682) 28.129 14.606 ( 30.008 0.000 -1.308) 30.036 14.710 ( 2.041 0.000 4.528) 4.967 15.031 ( 1.283 0.000 -3.805) 4.016 16.308 ( 1.292 0.000 2.276) 2.617 16.710 ( -4.617 0.000 -8.208) 9.417 16.718 ( -30.133 0.000 3.181) 30.301 16.988 ( -30.862 0.000 -3.474) 31.056 17.498 ( -20.315 0.000 4.244) 20.754 17.720 ( -24.500 0.000 -2.075) 24.588 19.547 ( 3.836 0.000 1.653) 4.177 19.620 ( 4.597 0.000 3.491) 5.772 19.663 ( 0.563 0.000 0.258) 0.620 19.782 ( -0.804 0.000 1.538) 1.735 20.651 ( 3.353 0.000 -1.265) 3.583 20.781 ( 2.404 0.000 1.401) 2.782 20.962 ( 5.581 0.000 2.546) 6.134 21.024 ( -0.306 0.000 -3.618) 3.631 21.181 ( -5.535 0.000 -3.613) 6.610 21.338 ( 1.576 0.000 3.645) 3.971 21.388 ( -3.761 0.000 -9.092) 9.839 21.811 ( -5.904 0.000 -12.590) 13.906 21.882 ( 11.935 0.000 5.998) 13.357 22.095 ( 9.120 0.000 -1.101) 9.186 22.254 ( 2.847 0.000 8.472) 8.938 22.611 ( -2.151 0.000 -3.737) 4.312 23.537 ( 1.406 0.000 1.038) 1.748 23.628 ( -2.040 0.000 -1.329) 2.434 23.685 ( -1.971 0.000 1.369) 2.399 23.726 ( 1.895 0.000 2.689) 3.290 23.770 ( -4.443 0.000 -0.914) 4.536 23.838 ( 0.500 0.000 0.759) 0.909 23.909 ( -3.599 0.000 1.259) 3.813 24.045 ( -4.175 0.000 -1.311) 4.376 ======================= Grid point 31 (15/30) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 11.402 0.000 6.668) 13.209 1.676 ( 14.096 0.000 4.707) 14.861 1.708 ( -4.716 0.000 5.976) 7.613 1.846 ( -1.132 0.000 6.220) 6.323 2.025 ( 5.200 0.000 -4.621) 6.957 2.073 ( 1.477 0.000 -1.175) 1.887 2.110 ( 8.104 0.000 -5.987) 10.076 2.237 ( -4.197 0.000 -4.242) 5.967 2.310 ( 9.484 0.000 -5.290) 10.859 2.372 ( 5.217 0.000 3.660) 6.373 2.451 ( -2.238 0.000 4.214) 4.771 2.471 ( -5.855 0.000 -1.094) 5.956 2.551 ( 3.417 0.000 -1.278) 3.648 2.628 ( -3.534 0.000 -2.005) 4.063 2.762 ( 2.257 0.000 -1.236) 2.574 2.765 ( 4.444 0.000 1.220) 4.608 2.855 ( -7.408 0.000 0.197) 7.411 2.865 ( -2.425 0.000 1.774) 3.005 2.985 ( -0.830 0.000 -2.028) 2.191 3.009 ( -2.898 0.000 -4.710) 5.530 3.034 ( 1.699 0.000 0.683) 1.831 3.071 ( -0.563 0.000 -5.179) 5.209 3.081 ( 0.874 0.000 0.760) 1.158 3.142 ( -3.695 0.000 -2.446) 4.432 3.147 ( 2.607 0.000 4.569) 5.261 3.254 ( -5.639 0.000 3.295) 6.531 3.282 ( 3.421 0.000 0.966) 3.555 3.367 ( -4.181 0.000 -1.626) 4.486 3.396 ( -0.596 0.000 -1.397) 1.519 3.417 ( -1.282 0.000 -1.606) 2.055 3.445 ( 3.072 0.000 0.530) 3.117 3.544 ( -3.674 0.000 -1.182) 3.860 3.672 ( 10.302 0.000 1.661) 10.435 3.700 ( 0.487 0.000 -1.239) 1.332 3.719 ( -1.333 0.000 -1.016) 1.676 3.736 ( 9.573 0.000 1.547) 9.697 3.769 ( 0.040 0.000 5.358) 5.358 3.863 ( -0.534 0.000 4.969) 4.998 3.964 ( -9.197 0.000 0.547) 9.213 3.970 ( -6.802 0.000 3.931) 7.856 4.030 ( 5.813 0.000 0.092) 5.813 4.052 ( -0.998 0.000 1.583) 1.871 4.093 ( -4.640 0.000 2.035) 5.066 4.166 ( -5.411 0.000 -1.879) 5.728 4.217 ( 5.731 0.000 0.096) 5.732 4.288 ( 9.170 0.000 -4.803) 10.351 4.314 ( -2.076 0.000 -1.973) 2.864 4.420 ( 3.883 0.000 -3.841) 5.462 4.451 ( -5.803 0.000 -1.739) 6.058 4.505 ( 0.752 0.000 -4.320) 4.385 4.546 ( -3.791 0.000 -0.222) 3.798 4.567 ( -4.428 0.000 -4.394) 6.238 4.713 ( 2.510 0.000 -0.053) 2.510 4.735 ( 5.214 0.000 -0.100) 5.215 4.803 ( -1.613 0.000 -2.131) 2.672 4.821 ( -5.605 0.000 1.462) 5.793 4.886 ( 6.152 0.000 4.477) 7.609 4.918 ( 4.855 0.000 -1.570) 5.103 4.984 ( -2.327 0.000 1.695) 2.879 5.018 ( -3.423 0.000 -0.483) 3.457 5.228 ( 10.794 0.000 8.014) 13.444 5.399 ( 0.360 0.000 -1.503) 1.545 5.463 ( -2.320 0.000 -1.871) 2.980 5.470 ( -9.559 0.000 3.931) 10.336 5.579 ( 0.709 0.000 2.648) 2.741 5.701 ( -7.861 0.000 0.080) 7.862 5.725 ( 3.749 0.000 3.886) 5.400 5.825 ( -5.006 0.000 1.211) 5.150 5.926 ( 1.985 0.000 3.628) 4.135 5.962 ( -0.419 0.000 3.924) 3.946 6.125 ( 5.117 0.000 1.428) 5.312 6.196 ( 1.642 0.000 -1.739) 2.392 6.210 ( -1.738 0.000 -0.120) 1.742 6.250 ( -2.563 0.000 -0.964) 2.738 6.330 ( 5.495 0.000 -1.784) 5.777 6.432 ( -3.870 0.000 -2.373) 4.540 6.507 ( 2.250 0.000 -5.494) 5.937 6.537 ( -0.614 0.000 -5.355) 5.390 6.696 ( 4.534 0.000 -2.509) 5.182 6.778 ( 4.898 0.000 1.114) 5.023 6.798 ( 3.543 0.000 1.607) 3.890 6.799 ( -4.355 0.000 -3.124) 5.359 7.049 ( 2.015 0.000 -0.126) 2.019 7.097 ( 1.208 0.000 0.474) 1.298 7.110 ( -2.650 0.000 -1.851) 3.233 7.121 ( -1.114 0.000 0.691) 1.310 7.273 ( 0.181 0.000 2.601) 2.607 7.313 ( -3.017 0.000 1.045) 3.193 7.970 ( 1.912 0.000 0.983) 2.150 8.028 ( -3.512 0.000 -0.293) 3.524 8.131 ( 2.360 0.000 0.941) 2.541 8.154 ( 0.391 0.000 -0.006) 0.391 8.175 ( -1.412 0.000 0.287) 1.441 8.192 ( -3.254 0.000 -0.544) 3.299 8.312 ( 0.148 0.000 1.651) 1.657 8.329 ( -1.297 0.000 1.650) 2.099 9.905 ( 1.188 0.000 0.320) 1.230 9.953 ( -3.283 0.000 -0.834) 3.387 9.981 ( 1.165 0.000 -0.001) 1.165 10.023 ( -2.737 0.000 -0.943) 2.894 10.364 ( 0.982 0.000 0.143) 0.993 10.406 ( -3.014 0.000 -0.957) 3.162 10.424 ( -0.504 0.000 -1.008) 1.127 10.448 ( -2.748 0.000 -1.477) 3.120 11.560 ( 1.679 0.000 1.261) 2.100 11.607 ( -2.726 0.000 -0.004) 2.726 11.929 ( 6.543 0.000 -0.706) 6.581 11.952 ( 7.865 0.000 -1.328) 7.977 12.032 ( 5.019 0.000 1.577) 5.261 12.038 ( 3.279 0.000 2.982) 4.433 12.078 ( 2.113 0.000 1.132) 2.397 12.096 ( -2.353 0.000 2.814) 3.668 12.208 ( -5.584 0.000 -0.273) 5.591 12.238 ( -5.993 0.000 0.293) 6.000 12.334 ( 2.090 0.000 -0.700) 2.204 12.386 ( 5.797 0.000 -6.316) 8.573 12.399 ( -3.987 0.000 -2.373) 4.639 12.421 ( 2.576 0.000 -6.728) 7.204 12.659 ( 6.776 0.000 4.804) 8.306 12.712 ( 2.588 0.000 1.937) 3.233 12.745 ( -0.124 0.000 6.129) 6.130 12.759 ( -0.737 0.000 4.932) 4.987 12.887 ( 10.942 0.000 5.280) 12.149 13.137 ( 8.228 0.000 -2.737) 8.671 13.165 ( 0.661 0.000 -4.895) 4.939 13.200 ( -2.569 0.000 -4.476) 5.161 13.310 ( -20.102 0.000 3.407) 20.388 13.438 ( -11.946 0.000 -1.270) 12.013 13.591 ( 0.274 0.000 -0.095) 0.290 13.605 ( 1.965 0.000 0.808) 2.125 13.611 ( -2.869 0.000 0.198) 2.876 13.652 ( -2.565 0.000 -0.028) 2.565 14.768 ( 5.242 0.000 1.537) 5.463 14.789 ( 4.635 0.000 1.534) 4.882 15.019 ( 10.924 0.000 -2.247) 11.153 15.086 ( 1.984 0.000 -3.434) 3.966 15.186 ( 37.478 0.000 1.867) 37.524 15.384 ( 39.293 0.000 -3.492) 39.448 16.017 ( -35.273 0.000 4.299) 35.534 16.260 ( -38.028 0.000 -2.118) 38.087 16.502 ( 17.817 0.000 1.835) 17.912 16.754 ( 7.186 0.000 -5.865) 9.276 17.041 ( -20.459 0.000 4.774) 21.009 17.196 ( -23.413 0.000 -0.617) 23.421 19.618 ( 2.768 0.000 1.718) 3.258 19.659 ( -1.085 0.000 1.429) 1.794 19.704 ( 3.255 0.000 2.880) 4.346 19.756 ( -1.798 0.000 2.377) 2.981 20.727 ( 3.614 0.000 -3.673) 5.153 20.784 ( -1.559 0.000 -2.708) 3.125 21.041 ( 1.754 0.000 -5.076) 5.370 21.083 ( 6.343 0.000 3.198) 7.103 21.092 ( -3.141 0.000 -4.443) 5.442 21.238 ( -8.308 0.000 -1.334) 8.414 21.400 ( 5.393 0.000 2.143) 5.803 21.582 ( -11.584 0.000 -3.666) 12.151 22.128 ( 9.163 0.000 1.708) 9.321 22.215 ( 1.207 0.000 -0.499) 1.306 22.411 ( 8.406 0.000 3.193) 8.992 22.549 ( -4.534 0.000 -0.533) 4.566 23.567 ( 1.246 0.000 0.370) 1.300 23.591 ( -1.381 0.000 -0.158) 1.390 23.656 ( -0.282 0.000 0.132) 0.311 23.687 ( -3.070 0.000 -0.539) 3.117 23.769 ( 2.130 0.000 0.987) 2.348 23.818 ( -2.493 0.000 -0.148) 2.497 23.892 ( 2.153 0.000 0.929) 2.345 23.959 ( -3.881 0.000 -0.681) 3.940 ======================= Grid point 36 (16/30) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 27.477 -6.432) 28.219 0.691 ( 0.000 19.681 8.850) 21.579 1.095 ( 0.000 -18.674 6.101) 19.645 1.152 ( 0.000 -8.173 -1.827) 8.375 1.231 ( 0.000 15.179 20.396) 25.425 1.502 ( 0.000 -10.193 -14.764) 17.941 1.733 ( 0.000 4.873 -4.815) 6.850 1.875 ( 0.000 -5.694 -2.556) 6.241 1.907 ( 0.000 0.775 0.126) 0.785 2.116 ( 0.000 -12.769 4.770) 13.630 2.308 ( 0.000 5.520 -0.504) 5.543 2.374 ( 0.000 0.600 7.602) 7.625 2.465 ( 0.000 7.017 -4.155) 8.155 2.528 ( 0.000 3.399 4.503) 5.642 2.605 ( 0.000 -3.142 2.448) 3.983 2.638 ( 0.000 -5.657 -4.263) 7.083 2.730 ( 0.000 2.886 0.951) 3.038 2.745 ( 0.000 -1.200 -0.046) 1.201 2.867 ( 0.000 4.927 -3.661) 6.138 2.929 ( 0.000 2.128 -4.607) 5.074 2.975 ( 0.000 0.346 1.060) 1.115 3.049 ( 0.000 -4.769 -3.553) 5.947 3.153 ( 0.000 2.195 2.448) 3.288 3.240 ( 0.000 -1.512 -0.618) 1.634 3.266 ( 0.000 2.061 0.931) 2.262 3.366 ( 0.000 1.327 4.264) 4.466 3.397 ( 0.000 2.832 -0.196) 2.839 3.423 ( 0.000 -4.001 0.096) 4.003 3.487 ( 0.000 -1.476 -3.912) 4.181 3.507 ( 0.000 2.293 -2.464) 3.366 3.571 ( 0.000 -2.492 -5.438) 5.982 3.590 ( 0.000 -1.843 0.906) 2.053 3.648 ( 0.000 2.449 -0.072) 2.450 3.694 ( 0.000 3.056 0.562) 3.108 3.733 ( 0.000 -4.007 4.261) 5.849 3.803 ( 0.000 -8.685 1.278) 8.779 3.855 ( 0.000 8.035 3.421) 8.732 3.928 ( 0.000 0.343 7.168) 7.176 4.040 ( 0.000 -1.537 -0.534) 1.627 4.061 ( 0.000 -7.567 3.006) 8.142 4.130 ( 0.000 4.958 2.297) 5.464 4.191 ( 0.000 2.095 -2.305) 3.115 4.206 ( 0.000 1.066 1.641) 1.957 4.218 ( 0.000 -0.778 -5.796) 5.848 4.240 ( 0.000 3.901 -0.435) 3.925 4.342 ( 0.000 -3.305 -4.849) 5.868 4.366 ( 0.000 2.290 -3.668) 4.324 4.454 ( 0.000 -3.846 -1.277) 4.052 4.463 ( 0.000 2.712 -1.715) 3.209 4.529 ( 0.000 -3.028 -2.579) 3.978 4.533 ( 0.000 6.450 4.833) 8.060 4.582 ( 0.000 3.051 -9.339) 9.825 4.640 ( 0.000 -0.915 -4.231) 4.329 4.683 ( 0.000 -6.252 1.591) 6.451 4.798 ( 0.000 4.008 0.643) 4.059 4.801 ( 0.000 3.132 0.824) 3.239 4.927 ( 0.000 4.179 4.299) 5.996 5.008 ( 0.000 1.602 3.295) 3.664 5.024 ( 0.000 -3.393 4.564) 5.688 5.046 ( 0.000 -3.260 1.639) 3.648 5.165 ( 0.000 1.849 1.839) 2.608 5.186 ( 0.000 0.736 0.622) 0.964 5.282 ( 0.000 5.686 -2.971) 6.416 5.296 ( 0.000 0.573 -0.525) 0.777 5.394 ( 0.000 1.676 -7.935) 8.110 5.460 ( 0.000 -3.281 -6.611) 7.381 5.627 ( 0.000 -3.887 -6.172) 7.294 5.632 ( 0.000 -0.564 -6.954) 6.976 5.908 ( 0.000 2.339 2.929) 3.749 5.956 ( 0.000 -2.719 6.468) 7.017 6.168 ( 0.000 0.857 -6.027) 6.088 6.196 ( 0.000 2.504 -1.717) 3.036 6.277 ( 0.000 2.188 3.575) 4.191 6.307 ( 0.000 6.400 -0.182) 6.402 6.422 ( 0.000 -4.243 3.434) 5.459 6.436 ( 0.000 -4.299 -1.971) 4.729 6.534 ( 0.000 -4.774 1.959) 5.160 6.548 ( 0.000 -5.399 5.934) 8.022 6.729 ( 0.000 2.045 1.749) 2.691 6.735 ( 0.000 1.536 -1.502) 2.149 6.772 ( 0.000 0.063 -2.609) 2.610 6.794 ( 0.000 -2.161 -0.392) 2.196 6.913 ( 0.000 2.384 3.414) 4.164 6.977 ( 0.000 -2.629 1.066) 2.836 7.162 ( 0.000 2.175 1.223) 2.495 7.176 ( 0.000 2.769 -0.462) 2.807 7.247 ( 0.000 -4.364 3.723) 5.737 7.252 ( 0.000 -2.061 -0.179) 2.069 7.937 ( 0.000 1.743 3.038) 3.502 7.985 ( 0.000 -2.335 2.936) 3.751 8.176 ( 0.000 2.698 -3.833) 4.687 8.224 ( 0.000 -1.600 -3.625) 3.962 8.331 ( 0.000 3.779 1.394) 4.028 8.407 ( 0.000 -3.176 2.254) 3.895 8.552 ( 0.000 4.183 4.132) 5.880 8.681 ( 0.000 -8.600 6.586) 10.832 10.017 ( 0.000 1.770 4.502) 4.838 10.066 ( 0.000 -2.632 5.139) 5.773 10.395 ( 0.000 2.512 -5.380) 5.938 10.446 ( 0.000 -2.313 -3.783) 4.434 10.546 ( 0.000 1.545 1.529) 2.174 10.571 ( 0.000 -0.728 2.038) 2.164 10.754 ( 0.000 0.651 -3.103) 3.171 10.767 ( 0.000 -0.496 -3.123) 3.162 11.066 ( 0.000 1.274 -2.465) 2.775 11.077 ( 0.000 1.543 -5.334) 5.552 11.085 ( 0.000 0.619 0.339) 0.706 11.101 ( 0.000 -0.711 -0.039) 0.712 11.382 ( 0.000 2.041 -0.513) 2.105 11.430 ( 0.000 -1.931 -1.358) 2.361 11.667 ( 0.000 2.847 -3.244) 4.316 11.713 ( 0.000 -1.699 -3.101) 3.536 11.847 ( 0.000 3.667 0.257) 3.676 11.918 ( 0.000 -2.140 -0.875) 2.312 12.163 ( 0.000 7.778 6.173) 9.930 12.235 ( 0.000 1.011 -6.722) 6.797 12.259 ( 0.000 -0.609 -3.618) 3.668 12.352 ( 0.000 -5.722 -2.721) 6.336 12.415 ( 0.000 1.684 -4.003) 4.343 12.506 ( 0.000 -8.793 3.829) 9.590 12.620 ( 0.000 4.542 1.205) 4.699 12.653 ( 0.000 0.118 6.438) 6.439 12.720 ( 0.000 -0.023 13.776) 13.776 12.728 ( 0.000 -0.811 10.145) 10.177 13.023 ( 0.000 10.496 -1.025) 10.546 13.206 ( 0.000 -0.713 -4.214) 4.274 13.228 ( 0.000 -4.292 0.798) 4.366 13.254 ( 0.000 -7.854 -6.160) 9.981 13.475 ( 0.000 0.945 2.021) 2.231 13.508 ( 0.000 -1.689 0.187) 1.700 13.803 ( 0.000 1.509 1.697) 2.271 13.848 ( 0.000 -2.695 0.962) 2.861 13.986 ( 0.000 1.283 -0.702) 1.462 13.986 ( 0.000 2.026 -1.475) 2.506 14.434 ( 0.000 18.990 -28.726) 34.435 14.803 ( 0.000 -14.617 -27.427) 31.079 15.800 ( 0.000 15.508 18.401) 24.064 16.177 ( 0.000 -14.997 18.543) 23.849 16.570 ( 0.000 10.094 -3.343) 10.633 16.790 ( 0.000 -7.232 -2.847) 7.772 17.742 ( 0.000 3.756 2.014) 4.262 17.861 ( 0.000 -6.879 0.163) 6.881 18.286 ( 0.000 9.156 -2.970) 9.626 18.462 ( 0.000 -6.139 -6.790) 9.154 19.475 ( 0.000 1.585 5.263) 5.497 19.538 ( 0.000 -4.522 6.559) 7.967 19.813 ( 0.000 1.734 -0.010) 1.734 19.851 ( 0.000 -0.991 5.304) 5.395 19.902 ( 0.000 0.200 3.571) 3.576 19.941 ( 0.000 -3.587 13.056) 13.540 20.598 ( 0.000 5.256 -1.830) 5.565 20.736 ( 0.000 -6.261 -4.021) 7.441 20.736 ( 0.000 4.685 -1.482) 4.914 20.855 ( 0.000 -5.691 -1.037) 5.784 21.287 ( 0.000 2.972 -6.542) 7.185 21.378 ( 0.000 -6.000 -7.515) 9.617 21.750 ( 0.000 10.150 15.084) 18.181 21.953 ( 0.000 -6.946 15.615) 17.090 22.804 ( 0.000 14.533 -23.062) 27.259 23.011 ( 0.000 -5.460 -19.993) 20.726 23.532 ( 0.000 2.507 3.043) 3.943 23.615 ( 0.000 -4.503 2.694) 5.247 23.822 ( 0.000 0.788 -1.678) 1.854 23.852 ( 0.000 -1.364 3.939) 4.169 23.899 ( 0.000 0.109 4.252) 4.253 23.949 ( 0.000 -5.835 11.160) 12.593 24.096 ( 0.000 0.527 0.359) 0.638 24.103 ( 0.000 -0.136 -0.051) 0.145 ======================= Grid point 37 (17/30) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 12.655 13.725 3.493) 18.993 0.884 ( 10.476 9.653 12.075) 18.675 1.042 ( -0.946 -17.590 4.499) 18.181 1.233 ( 2.518 -10.037 14.852) 18.101 1.349 ( 14.599 16.688 1.153) 22.202 1.611 ( 11.404 -10.640 -14.915) 21.580 1.882 ( 14.412 13.118 -2.301) 19.624 1.910 ( 1.390 1.276 -1.373) 2.334 2.000 ( -0.251 -5.307 -0.991) 5.404 2.200 ( 13.630 -8.423 -3.218) 16.342 2.298 ( -0.954 10.175 1.216) 10.292 2.427 ( 1.518 -2.257 5.865) 6.465 2.438 ( -1.192 4.635 -2.085) 5.220 2.529 ( -0.059 -0.023 0.237) 0.245 2.609 ( -0.129 -2.536 1.321) 2.862 2.676 ( 4.327 -7.582 1.108) 8.800 2.760 ( 4.035 -0.024 -1.762) 4.403 2.823 ( 1.790 -0.285 -1.946) 2.659 2.888 ( 3.670 0.595 -3.262) 4.946 2.940 ( -1.586 4.972 2.635) 5.847 3.023 ( -0.266 -2.880 -2.390) 3.752 3.069 ( 4.656 -2.980 -2.162) 5.935 3.203 ( 2.769 -1.054 2.973) 4.197 3.245 ( 2.634 0.102 0.787) 2.751 3.290 ( 0.218 -0.528 -2.001) 2.081 3.334 ( -4.466 2.578 -0.068) 5.157 3.370 ( 1.242 1.045 -0.393) 1.670 3.421 ( -0.360 -6.271 -1.106) 6.378 3.456 ( -2.216 -0.920 -1.329) 2.743 3.504 ( -0.934 -1.770 0.082) 2.003 3.556 ( -0.139 1.819 -1.343) 2.265 3.589 ( -0.844 0.364 -3.599) 3.714 3.654 ( -1.839 3.402 -0.330) 3.881 3.673 ( 1.711 2.376 -2.742) 4.011 3.738 ( -3.869 3.425 2.773) 5.864 3.751 ( -1.784 -0.613 5.387) 5.707 3.843 ( 0.893 -4.288 3.589) 5.662 3.943 ( -1.555 0.717 5.080) 5.361 3.993 ( -2.405 -5.763 3.699) 7.258 4.098 ( 1.825 -7.933 1.039) 8.206 4.115 ( -1.257 4.509 -1.292) 4.856 4.162 ( -2.150 3.864 0.834) 4.500 4.194 ( -1.055 -0.246 -0.139) 1.092 4.207 ( -0.698 -0.335 -1.218) 1.443 4.238 ( 1.273 5.521 -2.824) 6.330 4.289 ( -6.879 3.889 -4.296) 8.995 4.310 ( -2.548 -0.418 -1.415) 2.945 4.410 ( -4.988 -0.293 -4.436) 6.681 4.431 ( -0.519 -0.946 -4.971) 5.086 4.472 ( -0.986 -4.052 -2.333) 4.778 4.551 ( -1.787 0.918 0.060) 2.010 4.589 ( 1.608 -0.350 1.472) 2.208 4.650 ( -3.476 -0.480 0.397) 3.531 4.700 ( 3.935 -4.646 -1.296) 6.225 4.830 ( 2.323 3.610 1.064) 4.423 4.840 ( 3.105 2.681 -1.678) 4.432 4.903 ( -3.196 6.702 5.358) 9.157 5.009 ( -1.520 -0.947 3.290) 3.746 5.028 ( -1.027 -0.545 -2.382) 2.650 5.038 ( 1.256 -2.815 1.686) 3.514 5.096 ( -1.341 1.685 1.543) 2.649 5.136 ( -1.634 -1.120 1.441) 2.450 5.354 ( 5.347 3.712 -0.534) 6.531 5.405 ( 7.031 0.421 -1.551) 7.212 5.538 ( 9.044 0.497 -5.571) 10.634 5.590 ( 8.909 0.583 -6.505) 11.047 5.670 ( 5.319 -1.953 -6.265) 8.447 5.745 ( 9.221 -2.454 -6.389) 11.484 5.931 ( 2.427 1.845 2.277) 3.805 5.972 ( 0.661 -2.135 6.156) 6.550 6.118 ( -3.012 2.789 -1.667) 4.430 6.171 ( -1.851 1.174 -2.012) 2.975 6.233 ( -4.981 1.842 2.826) 6.015 6.285 ( -1.923 2.143 1.680) 3.334 6.359 ( -5.403 -2.375 -2.124) 6.273 6.395 ( -4.259 -6.615 1.546) 8.018 6.484 ( -2.633 0.748 5.199) 5.876 6.535 ( -0.250 -3.514 2.639) 4.402 6.694 ( -2.275 1.732 -1.673) 3.313 6.696 ( -4.142 2.722 -0.306) 4.966 6.753 ( 0.141 0.807 -0.990) 1.285 6.816 ( 1.429 -2.953 -1.097) 3.459 6.931 ( 1.616 1.888 3.274) 4.110 7.006 ( 2.198 -3.383 0.791) 4.111 7.173 ( 0.307 3.159 0.156) 3.177 7.176 ( 0.803 3.071 0.669) 3.244 7.246 ( 1.373 -1.941 1.947) 3.073 7.277 ( 0.760 -3.470 1.314) 3.788 7.941 ( 0.325 1.822 2.662) 3.242 7.992 ( 0.551 -2.560 2.461) 3.593 8.167 ( -0.538 2.717 -2.947) 4.044 8.216 ( -0.530 -1.640 -3.056) 3.509 8.306 ( -1.784 3.176 2.180) 4.245 8.374 ( -2.721 -2.834 2.101) 4.455 8.502 ( -4.172 3.453 3.531) 6.465 8.589 ( -6.233 -4.257 4.710) 8.897 9.998 ( -1.669 1.697 4.046) 4.694 10.042 ( -1.975 -2.055 4.461) 5.294 10.305 ( -6.435 2.410 -3.020) 7.506 10.350 ( -7.202 -1.666 -2.366) 7.761 10.517 ( -2.668 2.119 1.603) 3.765 10.564 ( -1.817 -1.898 0.525) 2.680 10.709 ( -3.908 0.809 -3.104) 5.056 10.727 ( -3.575 -0.805 -3.023) 4.751 11.216 ( 15.867 2.421 -0.510) 16.058 11.253 ( 17.301 -0.887 -1.071) 17.357 11.328 ( 17.295 0.970 -0.781) 17.340 11.353 ( 15.898 -0.964 -1.917) 16.042 11.431 ( 4.537 1.906 -0.306) 4.931 11.475 ( 4.096 -1.720 -1.077) 4.571 11.665 ( 0.898 3.748 -1.180) 4.030 11.730 ( 1.882 -2.117 -3.250) 4.311 11.978 ( 8.860 4.847 0.530) 10.113 12.103 ( -3.177 4.705 4.376) 7.167 12.119 ( 9.920 -6.532 -1.543) 11.977 12.201 ( -1.841 -2.256 -2.465) 3.815 12.327 ( 3.453 -0.470 -3.615) 5.022 12.353 ( -0.124 -2.712 -4.427) 5.193 12.447 ( 4.469 2.857 -3.857) 6.559 12.545 ( 2.880 -2.935 2.754) 4.949 12.601 ( -0.107 -1.109 4.785) 4.913 12.629 ( 1.284 -3.783 7.898) 8.851 12.825 ( 8.205 3.989 3.843) 9.900 12.874 ( 8.036 -1.293 6.233) 10.252 13.022 ( -0.124 9.984 -1.370) 10.078 13.248 ( 0.352 -7.612 -6.285) 9.878 13.323 ( 11.985 1.072 -4.564) 12.869 13.389 ( 15.121 -4.864 0.083) 15.884 13.505 ( 3.412 -0.861 2.513) 4.324 13.523 ( 1.511 -2.057 0.317) 2.572 13.764 ( -2.982 2.559 2.439) 4.625 13.823 ( -2.112 -2.666 1.144) 3.589 13.967 ( -0.933 2.569 -1.416) 3.078 14.007 ( 0.795 -0.532 -0.944) 1.344 14.364 ( -5.029 15.266 -16.721) 23.194 14.637 ( -13.251 -10.174 -19.115) 25.387 15.497 ( -23.165 5.729 15.100) 28.239 15.537 ( -34.640 5.158 23.286) 42.057 16.557 ( -2.136 10.573 -2.437) 11.058 16.875 ( -2.284 -15.201 -9.692) 18.172 17.632 ( -10.472 4.008 1.986) 11.387 17.756 ( -10.116 -6.971 -0.173) 12.286 18.210 ( -7.817 8.443 -1.373) 11.587 18.377 ( -8.439 -5.949 -5.381) 11.643 19.450 ( -0.396 0.964 3.545) 3.695 19.481 ( -1.349 -1.786 5.452) 5.894 19.681 ( -1.493 3.806 0.484) 4.116 19.764 ( -1.498 -3.506 1.956) 4.285 20.277 ( 24.896 11.215 4.352) 27.650 20.593 ( 22.068 -12.163 -6.726) 26.080 20.696 ( 4.024 1.829 1.175) 4.573 20.794 ( 8.131 -3.611 0.977) 8.950 20.911 ( 9.368 -2.790 -2.593) 10.113 20.994 ( 18.903 -10.228 0.258) 21.495 21.296 ( 1.809 3.597 -8.142) 9.083 21.371 ( 1.173 -3.407 -10.906) 11.485 21.773 ( 2.463 9.204 13.308) 16.367 21.955 ( 0.506 -5.714 13.154) 14.350 22.678 ( -10.581 12.689 -15.908) 22.936 22.880 ( -11.594 -5.887 -16.072) 20.673 23.530 ( 0.023 2.357 2.843) 3.693 23.609 ( -0.451 -4.547 3.280) 5.624 23.777 ( -3.462 1.332 0.384) 3.729 23.822 ( -2.397 -2.094 3.521) 4.746 23.848 ( -3.604 1.703 7.306) 8.322 23.883 ( -2.082 -1.489 3.640) 4.450 24.089 ( -1.529 1.073 -0.369) 1.904 24.127 ( -0.050 -2.287 -0.813) 2.428 ======================= Grid point 38 (18/30) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 20.372 3.625 5.419) 21.389 1.116 ( 11.643 6.493 13.114) 18.700 1.150 ( 12.379 -14.402 4.753) 19.576 1.347 ( 8.286 -10.595 10.416) 17.012 1.721 ( 17.856 8.753 -1.606) 19.950 1.861 ( 11.577 -3.214 -2.041) 12.187 1.944 ( 3.007 3.787 -2.766) 5.571 2.005 ( 3.387 -1.190 -3.987) 5.364 2.202 ( 5.180 13.720 -5.302) 15.594 2.332 ( 9.976 5.201 -2.263) 11.476 2.369 ( -1.016 2.037 -2.912) 3.697 2.460 ( 2.095 -5.503 -0.031) 5.889 2.481 ( 6.319 -3.820 -4.788) 8.800 2.524 ( 2.532 -3.514 3.657) 5.668 2.660 ( 3.777 5.887 3.541) 7.839 2.761 ( -2.083 0.391 1.677) 2.703 2.811 ( -2.072 -3.824 -2.285) 4.913 2.861 ( -0.511 3.782 3.544) 5.208 2.873 ( 5.991 -8.760 2.868) 10.993 2.961 ( 1.843 4.201 -1.976) 4.995 3.030 ( -2.721 -7.184 2.310) 8.022 3.050 ( 0.870 -1.425 -6.102) 6.326 3.208 ( -4.857 1.689 0.882) 5.217 3.222 ( -3.208 -1.809 -0.597) 3.731 3.315 ( 4.200 -1.247 -1.034) 4.502 3.348 ( 1.989 1.474 -2.038) 3.207 3.374 ( -1.257 -1.256 -2.755) 3.279 3.430 ( -0.582 0.962 2.906) 3.116 3.447 ( 1.007 -2.021 -3.814) 4.432 3.500 ( -2.075 0.441 -1.194) 2.435 3.507 ( -0.741 -0.016 2.428) 2.539 3.581 ( -4.428 -1.803 -0.770) 4.843 3.626 ( 2.987 2.383 3.495) 5.179 3.672 ( -2.400 3.356 1.041) 4.255 3.721 ( 2.881 5.653 -4.005) 7.503 3.730 ( 1.484 0.075 1.369) 2.020 3.806 ( -6.848 -2.322 1.460) 7.377 3.864 ( -0.207 -5.516 -0.371) 5.532 3.999 ( -0.839 2.696 0.318) 2.841 4.061 ( -6.055 -0.434 -1.812) 6.336 4.072 ( -3.219 3.944 2.595) 5.714 4.125 ( -3.127 1.279 0.128) 3.380 4.135 ( -2.433 -1.462 -0.513) 2.885 4.186 ( 0.196 -1.485 -0.662) 1.637 4.215 ( -0.281 -2.227 -0.377) 2.276 4.269 ( 2.315 1.983 -2.059) 3.678 4.285 ( -0.035 0.406 1.656) 1.706 4.361 ( -1.391 -0.803 0.614) 1.720 4.376 ( -0.342 -8.318 0.843) 8.367 4.444 ( -1.666 -3.849 -2.432) 4.848 4.571 ( 0.162 6.741 6.132) 9.114 4.597 ( 2.685 4.194 -1.435) 5.182 4.636 ( 1.217 0.054 -1.867) 2.229 4.759 ( -0.321 -6.036 1.672) 6.271 4.798 ( -1.844 2.353 1.401) 3.301 4.836 ( -2.040 -0.436 -3.003) 3.656 4.898 ( -0.289 3.962 -0.904) 4.074 4.958 ( -1.148 -0.550 -1.929) 2.311 5.038 ( -0.147 -0.335 -2.048) 2.080 5.045 ( -0.712 -0.872 0.056) 1.127 5.104 ( 1.714 2.338 2.824) 4.047 5.160 ( 4.143 -3.321 2.547) 5.889 5.462 ( 3.472 4.520 -2.340) 6.161 5.503 ( 1.473 0.447 -2.702) 3.110 5.700 ( 7.065 0.259 -2.556) 7.517 5.734 ( 4.722 -0.965 1.815) 5.150 5.830 ( 6.965 0.292 -5.659) 8.979 5.881 ( 1.115 -2.646 -1.066) 3.063 6.013 ( -6.532 2.628 4.242) 8.220 6.028 ( 7.460 0.726 -1.294) 7.606 6.036 ( 5.788 1.289 0.215) 5.934 6.099 ( -8.132 -1.921 2.764) 8.801 6.142 ( -4.528 0.216 -1.252) 4.702 6.203 ( -1.073 -3.957 -0.220) 4.106 6.276 ( -0.428 3.222 -0.027) 3.251 6.360 ( 1.239 -3.362 0.094) 3.584 6.449 ( -0.154 3.743 1.443) 4.015 6.538 ( 0.076 -3.888 -0.524) 3.924 6.624 ( -2.694 1.739 -0.695) 3.281 6.643 ( -1.987 -0.042 -1.772) 2.663 6.751 ( -0.307 3.252 0.357) 3.286 6.845 ( 1.209 -3.819 -1.865) 4.418 6.966 ( 1.400 2.184 2.702) 3.746 7.047 ( 1.408 -3.810 -0.025) 4.062 7.171 ( -0.016 4.833 0.689) 4.882 7.207 ( 1.323 2.932 0.179) 3.222 7.274 ( 0.364 -2.171 1.909) 2.914 7.300 ( 1.937 -2.984 1.582) 3.893 7.950 ( 0.505 1.817 2.098) 2.821 8.005 ( 0.681 -3.060 1.641) 3.539 8.158 ( -0.448 2.516 -2.659) 3.688 8.207 ( -0.611 -1.804 -2.640) 3.255 8.271 ( -1.376 2.104 2.051) 3.245 8.306 ( -3.704 -0.631 1.271) 3.966 8.407 ( -4.291 1.609 3.614) 5.837 8.459 ( -6.101 -2.514 3.058) 7.273 9.955 ( -2.114 1.567 2.870) 3.894 9.995 ( -2.284 -1.678 2.947) 4.089 10.169 ( -6.178 1.502 -2.055) 6.682 10.200 ( -6.598 -1.072 -1.644) 6.884 10.447 ( -3.558 1.992 1.290) 4.277 10.501 ( -3.575 -2.568 0.210) 4.407 10.607 ( -5.390 0.948 -2.696) 6.101 10.631 ( -5.330 -1.019 -2.660) 6.043 11.539 ( 8.440 3.635 0.587) 9.208 11.556 ( 8.399 2.043 0.005) 8.644 11.589 ( 6.474 -1.189 -0.746) 6.625 11.623 ( 11.626 -2.419 0.438) 11.883 11.696 ( 16.327 2.024 -0.434) 16.458 11.729 ( 18.923 -0.644 -1.902) 19.030 11.765 ( 12.330 2.154 -2.098) 12.691 11.794 ( 5.169 -0.004 -3.936) 6.497 12.029 ( 0.305 0.825 4.333) 4.421 12.088 ( -0.998 -2.287 0.855) 2.638 12.217 ( 2.999 -1.007 4.573) 5.561 12.250 ( 4.345 -2.621 1.006) 5.173 12.342 ( -0.182 0.450 -4.701) 4.726 12.375 ( 1.157 -2.305 -3.646) 4.466 12.550 ( 4.067 3.477 0.372) 5.364 12.611 ( 2.264 1.681 4.170) 5.034 12.642 ( 4.742 -2.008 1.840) 5.469 12.701 ( 3.310 -5.856 6.427) 9.304 12.969 ( 3.716 8.230 -2.455) 9.358 13.004 ( 3.236 4.490 -0.637) 5.571 13.042 ( 4.843 0.986 0.817) 5.009 13.236 ( -1.631 -8.505 -6.820) 11.023 13.498 ( 3.061 2.881 -0.547) 4.239 13.550 ( 1.440 -1.431 -0.070) 2.031 13.617 ( -1.811 2.474 0.899) 3.195 13.710 ( 0.386 -5.258 -1.606) 5.511 13.897 ( 18.619 2.140 1.253) 18.783 13.929 ( 12.988 1.337 0.340) 13.061 13.959 ( 15.412 -3.112 2.038) 15.854 13.995 ( -0.858 -3.268 -0.385) 3.400 14.306 ( 1.517 7.645 -1.134) 7.876 14.407 ( -5.081 -2.191 -4.908) 7.396 14.983 ( -18.954 5.400 7.901) 21.233 15.073 ( -13.531 -2.799 3.635) 14.287 16.475 ( -4.971 9.985 -1.690) 11.281 16.742 ( -8.257 -11.903 -8.402) 16.747 17.307 ( -20.464 4.608 1.947) 21.066 17.439 ( -20.206 -6.629 -0.740) 21.279 17.960 ( -15.913 6.997 0.557) 17.393 18.105 ( -17.348 -5.398 -3.065) 18.425 19.482 ( 3.178 0.989 2.300) 4.046 19.509 ( 3.455 -1.332 3.437) 5.052 19.680 ( 0.730 2.982 0.003) 3.070 19.753 ( -0.001 -3.166 0.796) 3.265 20.650 ( 5.812 7.425 0.972) 9.479 20.755 ( 7.922 8.421 3.520) 12.086 20.797 ( 3.385 -4.919 -0.241) 5.976 21.021 ( 6.511 -8.681 -3.179) 11.307 21.088 ( 6.260 -2.145 -0.731) 6.658 21.180 ( 0.448 -7.357 0.002) 7.370 21.429 ( 9.546 6.023 -9.506) 14.757 21.560 ( 12.692 -6.405 -11.998) 18.603 21.855 ( 4.411 7.851 9.570) 13.141 21.991 ( 3.786 -1.989 7.970) 9.045 22.442 ( -10.626 7.417 -6.016) 14.287 22.620 ( -9.984 -6.910 -8.615) 14.887 23.538 ( 0.756 2.210 2.010) 3.082 23.606 ( 0.340 -3.798 2.483) 4.550 23.715 ( -2.660 2.132 -1.260) 3.634 23.775 ( -2.000 -1.775 0.450) 2.711 23.801 ( -1.657 1.309 3.882) 4.419 23.842 ( -1.373 -1.368 4.357) 4.768 24.030 ( -3.789 2.497 -0.704) 4.592 24.090 ( -3.100 -2.603 -1.179) 4.216 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 17.790 4.229 5.436) 19.077 1.368 ( 13.896 5.493 9.023) 17.455 1.474 ( 14.942 -11.120 4.420) 19.143 1.547 ( 10.221 -10.101 6.597) 15.812 2.003 ( 7.658 6.342 -6.686) 11.982 2.042 ( 7.425 4.267 4.149) 9.515 2.092 ( 8.837 0.037 -3.622) 9.551 2.119 ( 5.572 0.310 -2.287) 6.031 2.228 ( 0.927 5.936 -2.816) 6.635 2.327 ( -0.798 0.335 -2.082) 2.254 2.450 ( 1.238 -1.797 0.255) 2.197 2.508 ( 0.115 -3.155 0.517) 3.199 2.556 ( 0.959 2.484 1.031) 2.855 2.630 ( -2.196 -0.514 -1.695) 2.821 2.664 ( -0.142 -2.332 -5.746) 6.203 2.708 ( -0.388 -2.481 -0.251) 2.523 2.802 ( 6.987 2.844 1.462) 7.684 2.894 ( -1.783 -1.882 2.965) 3.938 2.946 ( 3.720 -6.375 -2.274) 7.724 2.967 ( 0.007 -4.264 4.526) 6.218 3.015 ( 1.138 4.021 -3.885) 5.706 3.093 ( 0.315 -2.993 -2.274) 3.772 3.180 ( 2.021 3.300 0.288) 3.881 3.213 ( 3.346 1.954 2.543) 4.634 3.296 ( -4.520 1.632 1.649) 5.081 3.310 ( -5.173 2.628 0.157) 5.805 3.347 ( -6.570 3.992 2.884) 8.211 3.390 ( 0.204 1.186 -4.310) 4.475 3.429 ( -3.729 -1.438 -0.866) 4.089 3.442 ( -1.329 -1.463 -3.519) 4.036 3.459 ( -3.072 1.654 -0.438) 3.516 3.526 ( -1.459 -2.405 -2.603) 3.832 3.648 ( 1.753 3.929 0.681) 4.356 3.677 ( 0.857 0.083 -0.561) 1.028 3.703 ( 0.988 -3.888 2.315) 4.632 3.754 ( 0.246 4.671 -0.387) 4.693 3.845 ( 4.866 0.251 -0.450) 4.893 3.865 ( -1.174 2.972 -1.234) 3.426 3.946 ( -3.445 2.228 3.017) 5.092 3.988 ( -3.102 -2.695 -1.470) 4.364 4.010 ( 1.215 -2.497 2.176) 3.528 4.039 ( -3.851 -3.488 3.572) 6.305 4.111 ( -2.604 -1.219 -0.293) 2.890 4.152 ( -1.659 -3.629 -1.214) 4.170 4.219 ( 0.939 4.607 0.425) 4.721 4.260 ( -2.429 1.944 0.887) 3.236 4.310 ( 2.576 -2.768 -1.958) 4.258 4.361 ( -0.870 -3.716 -1.606) 4.140 4.414 ( 4.580 -1.714 1.462) 5.104 4.505 ( 6.868 -6.737 3.226) 10.147 4.556 ( -1.782 4.433 4.657) 6.671 4.640 ( 0.201 1.196 -3.329) 3.543 4.666 ( -2.419 2.972 -0.040) 3.832 4.712 ( 3.536 1.741 -0.676) 3.999 4.779 ( -2.417 -2.246 -2.141) 3.933 4.831 ( -0.259 -3.384 -0.221) 3.401 4.868 ( -1.103 4.116 -0.869) 4.349 4.914 ( -2.243 -0.373 -3.523) 4.192 5.012 ( -1.919 0.985 0.834) 2.313 5.029 ( -1.633 -1.280 0.557) 2.148 5.167 ( 4.876 5.059 3.408) 7.809 5.296 ( 7.742 -6.539 0.318) 10.139 5.475 ( -2.730 1.523 -3.992) 5.070 5.496 ( 0.957 0.351 -3.991) 4.119 5.736 ( -5.973 2.823 4.084) 7.766 5.786 ( -2.751 -1.380 3.446) 4.620 5.831 ( -4.096 1.745 5.118) 6.783 5.880 ( -4.596 -2.712 1.090) 5.447 5.937 ( 3.063 2.632 1.879) 4.454 5.991 ( -0.437 -0.118 0.725) 0.855 6.044 ( -1.097 0.358 1.212) 1.673 6.109 ( 0.279 -4.049 -0.417) 4.080 6.174 ( 4.625 2.185 -2.906) 5.883 6.225 ( 2.521 -1.791 -1.595) 3.480 6.329 ( 3.446 4.656 -1.089) 5.894 6.419 ( 1.862 -3.457 -3.098) 5.002 6.479 ( 2.613 1.913 -3.053) 4.450 6.543 ( 1.792 -1.883 -2.331) 3.492 6.593 ( -0.375 0.534 -1.363) 1.511 6.643 ( 2.231 -2.799 0.335) 3.595 6.761 ( 2.145 5.143 0.739) 5.621 6.868 ( 1.292 -3.028 -2.488) 4.126 6.983 ( 0.192 1.723 2.047) 2.682 7.057 ( -0.486 -3.476 -0.540) 3.552 7.172 ( 0.015 4.139 0.745) 4.205 7.215 ( -0.499 2.266 -0.007) 2.320 7.272 ( -0.677 -0.628 2.363) 2.537 7.322 ( -0.398 -2.935 0.720) 3.048 7.964 ( 0.916 1.849 1.483) 2.541 8.023 ( 1.091 -3.321 0.955) 3.623 8.132 ( -2.760 1.701 -2.468) 4.074 8.169 ( -2.798 -1.482 -1.741) 3.614 8.241 ( -1.762 2.210 1.770) 3.335 8.257 ( -0.038 1.034 0.741) 1.273 8.333 ( -3.286 -0.522 2.395) 4.100 8.351 ( -3.416 -1.661 2.891) 4.773 9.921 ( -0.913 1.509 1.496) 2.312 9.959 ( -0.910 -1.589 1.378) 2.291 10.054 ( -4.801 1.260 -1.675) 5.238 10.083 ( -4.585 -1.126 -1.479) 4.948 10.388 ( -1.803 1.647 0.850) 2.586 10.434 ( -2.505 -2.243 -0.038) 3.363 10.498 ( -4.740 0.896 -1.972) 5.212 10.520 ( -4.896 -0.924 -2.059) 5.391 11.612 ( 1.221 6.059 0.995) 6.261 11.686 ( 2.780 2.748 -0.580) 3.952 11.736 ( 6.753 -2.976 -0.578) 7.402 11.752 ( 4.448 -3.467 -1.024) 5.731 11.872 ( 3.406 2.875 1.564) 4.724 11.978 ( 7.373 0.372 -0.113) 7.383 12.003 ( 3.483 -3.274 -0.724) 4.835 12.037 ( 9.591 -0.096 -0.595) 9.610 12.149 ( 11.802 -1.600 0.625) 11.927 12.162 ( 9.216 -3.098 1.215) 9.798 12.287 ( 4.704 0.109 0.339) 4.718 12.298 ( 1.166 -0.949 -1.498) 2.122 12.347 ( -0.029 2.249 -0.127) 2.253 12.396 ( 0.969 -2.564 -2.247) 3.545 12.638 ( 4.027 2.193 1.047) 4.703 12.668 ( 3.034 4.241 3.157) 6.095 12.704 ( 0.850 -3.122 3.232) 4.573 12.734 ( 0.869 -1.966 5.541) 5.943 12.956 ( -2.785 9.741 0.672) 10.154 13.061 ( 2.060 4.398 -2.134) 5.304 13.135 ( 1.748 -1.991 -3.511) 4.399 13.176 ( -3.901 -8.171 -4.611) 10.161 13.537 ( -0.107 1.804 0.618) 1.910 13.574 ( 0.829 -0.892 -0.002) 1.218 13.577 ( -0.628 0.820 2.028) 2.276 13.629 ( -6.364 -4.219 1.881) 7.864 13.797 ( -10.474 0.958 0.067) 10.518 13.811 ( -12.551 0.051 -0.567) 12.564 14.512 ( 21.531 0.354 1.148) 21.565 14.523 ( 20.119 -0.314 1.034) 20.148 14.577 ( 29.977 1.313 -0.130) 30.006 14.600 ( 29.065 -0.631 -0.623) 29.079 14.792 ( 0.593 6.902 1.483) 7.084 14.954 ( 0.681 -6.449 -2.333) 6.892 16.403 ( -0.170 7.981 -0.711) 8.014 16.601 ( -4.124 -8.435 -5.973) 11.128 16.786 ( -28.412 5.245 2.280) 28.982 16.917 ( -29.255 -5.650 -0.754) 29.805 17.558 ( -22.170 4.731 1.649) 22.729 17.667 ( -23.999 -4.385 -1.181) 24.425 19.563 ( 4.046 1.332 1.875) 4.654 19.597 ( 4.401 -1.597 2.528) 5.321 19.693 ( 0.241 2.308 1.059) 2.551 19.750 ( -0.438 -2.501 1.450) 2.924 20.714 ( 3.057 5.141 -1.703) 6.219 20.819 ( 1.737 -0.824 -2.134) 2.872 20.902 ( 2.504 1.072 2.780) 3.892 21.033 ( -2.218 -5.551 -2.139) 6.349 21.139 ( 1.369 2.467 -0.089) 2.822 21.244 ( 3.490 -5.505 0.937) 6.585 21.506 ( -4.388 7.153 -8.123) 11.679 21.677 ( -3.858 -8.219 -9.908) 13.439 21.985 ( 10.294 7.677 6.674) 14.472 22.140 ( 9.642 -4.318 6.285) 12.293 22.309 ( -0.520 9.364 -1.700) 9.531 22.520 ( -1.396 -7.829 -3.738) 8.787 23.560 ( 1.182 1.963 1.052) 2.521 23.616 ( 0.347 -2.780 0.757) 2.902 23.660 ( -2.546 1.657 -0.676) 3.112 23.719 ( -3.277 -3.181 -1.147) 4.709 23.784 ( 0.260 2.965 2.663) 3.994 23.835 ( 0.476 -1.315 2.537) 2.897 23.943 ( -4.274 2.876 -0.374) 5.166 24.011 ( -4.168 -2.791 -1.023) 5.119 ======================= Grid point 40 (20/30) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 9.808 4.208 5.886) 12.188 1.665 ( 9.708 -0.594 5.653) 11.249 1.674 ( 3.124 -2.370 5.402) 6.675 1.721 ( 3.630 -6.741 6.174) 9.836 2.098 ( 2.627 4.548 -4.229) 6.743 2.130 ( 2.557 3.766 -4.703) 6.545 2.183 ( 0.913 1.806 -5.865) 6.204 2.205 ( -2.215 -2.359 -4.336) 5.410 2.285 ( 8.017 0.649 0.962) 8.100 2.367 ( 3.813 -1.809 2.209) 4.763 2.425 ( -4.181 -0.379 0.616) 4.243 2.476 ( -2.975 -2.055 2.467) 4.377 2.575 ( 1.024 3.144 -1.539) 3.647 2.591 ( -1.324 -0.044 -3.800) 4.024 2.649 ( 1.662 -4.920 -0.635) 5.232 2.690 ( -2.733 -5.692 -0.691) 6.352 2.893 ( 4.265 2.601 0.247) 5.001 2.947 ( 1.461 -0.101 -0.165) 1.473 2.973 ( 1.151 0.503 2.202) 2.535 3.002 ( -0.586 -0.855 1.542) 1.858 3.038 ( 1.740 1.902 -4.759) 5.412 3.068 ( 0.675 0.959 -3.947) 4.117 3.131 ( -5.492 2.969 -0.308) 6.251 3.168 ( -4.866 0.480 -1.817) 5.216 3.223 ( -1.615 3.280 2.600) 4.486 3.261 ( -4.299 1.995 3.494) 5.888 3.297 ( -0.075 -0.542 2.016) 2.089 3.307 ( -1.020 -4.097 1.076) 4.357 3.426 ( 1.199 2.771 -2.233) 3.755 3.439 ( 2.110 0.886 -1.333) 2.649 3.453 ( 2.192 1.357 -0.940) 2.744 3.513 ( -1.596 -2.590 -1.726) 3.498 3.694 ( 2.851 2.312 -0.002) 3.671 3.725 ( 1.354 0.672 -1.042) 1.836 3.756 ( 3.350 3.700 0.198) 4.995 3.785 ( 1.063 2.243 2.657) 3.636 3.823 ( -0.116 2.586 1.852) 3.183 3.841 ( -1.152 -0.284 4.050) 4.220 3.897 ( -2.204 -4.686 2.334) 5.681 3.935 ( -4.402 -3.052 -0.871) 5.427 3.997 ( -2.593 0.261 0.026) 2.606 4.007 ( 2.057 -2.811 1.314) 3.723 4.014 ( -3.887 -4.250 0.582) 5.789 4.102 ( -4.269 -5.234 -1.332) 6.884 4.277 ( 3.489 3.912 1.443) 5.438 4.293 ( 3.258 1.497 -1.348) 3.831 4.366 ( 1.356 -1.093 0.856) 1.941 4.384 ( 4.720 -1.801 -1.988) 5.429 4.449 ( -1.655 3.657 -1.351) 4.236 4.528 ( -0.704 1.987 -1.104) 2.380 4.591 ( -1.502 -0.834 -4.029) 4.379 4.638 ( -3.210 3.014 -5.507) 7.051 4.658 ( 5.303 -2.246 2.677) 6.350 4.717 ( 0.640 1.244 -1.357) 1.949 4.769 ( 0.333 -2.964 -0.178) 2.988 4.804 ( -3.120 -1.980 0.948) 3.815 4.890 ( 2.911 0.350 2.167) 3.646 4.900 ( 1.778 -0.517 -0.633) 1.957 4.960 ( -3.051 -1.391 1.289) 3.592 4.967 ( -3.738 -2.390 1.316) 4.627 5.311 ( 8.144 5.766 3.443) 10.555 5.413 ( 2.282 -0.894 -1.542) 2.896 5.449 ( -0.686 0.487 -1.889) 2.068 5.498 ( -3.163 -0.818 -1.951) 3.805 5.615 ( -1.425 3.148 3.763) 5.109 5.689 ( 0.472 -2.904 3.575) 4.630 5.714 ( -7.041 2.518 3.673) 8.331 5.788 ( -5.451 -2.952 2.748) 6.781 5.969 ( 1.472 3.435 3.006) 4.796 6.003 ( -0.746 3.191 3.768) 4.994 6.057 ( 1.753 -3.995 2.380) 4.969 6.098 ( -1.696 -5.433 1.927) 6.009 6.256 ( 4.198 2.993 -2.601) 5.775 6.306 ( 4.738 -1.522 -2.625) 5.626 6.338 ( -2.370 3.300 -2.422) 4.730 6.398 ( -3.178 -2.272 -3.220) 5.062 6.543 ( 3.022 2.952 -4.050) 5.852 6.583 ( -0.656 3.546 -3.152) 4.790 6.625 ( 4.011 -4.213 -2.586) 6.366 6.678 ( -0.344 -5.037 -1.128) 5.173 6.852 ( 5.184 4.429 0.060) 6.819 6.907 ( 1.322 2.989 -1.805) 3.734 6.978 ( 0.325 -2.621 0.745) 2.744 7.027 ( -2.436 -3.756 -0.909) 4.568 7.177 ( 0.714 3.639 0.726) 3.778 7.199 ( -0.921 3.505 0.105) 3.625 7.251 ( -0.411 -1.663 2.006) 2.638 7.283 ( -2.709 -2.559 0.851) 3.823 7.993 ( 2.018 2.036 0.843) 2.987 8.045 ( -1.051 0.153 -0.410) 1.138 8.064 ( -0.596 -1.757 0.687) 1.978 8.109 ( -2.908 -2.946 -0.604) 4.183 8.230 ( 0.422 3.187 0.888) 3.335 8.249 ( -1.086 2.808 0.466) 3.046 8.291 ( -0.068 -1.769 1.486) 2.312 8.308 ( -1.353 -1.883 1.418) 2.718 9.924 ( 1.180 1.517 0.250) 1.938 9.961 ( 1.168 -1.615 0.088) 1.995 9.970 ( -3.196 1.426 -0.873) 3.607 10.005 ( -2.928 -1.472 -0.933) 3.408 10.377 ( 0.751 1.119 -0.023) 1.348 10.407 ( 0.018 -1.361 -0.575) 1.478 10.416 ( -2.979 0.838 -1.055) 3.270 10.437 ( -2.846 -0.872 -1.323) 3.258 11.637 ( 1.439 6.596 0.822) 6.801 11.674 ( -1.917 5.842 -0.194) 6.151 11.821 ( 2.345 -9.053 0.281) 9.356 11.843 ( 1.145 -8.376 -0.403) 8.463 11.976 ( 5.913 1.786 1.441) 6.343 12.030 ( 4.582 -2.364 0.997) 5.251 12.070 ( -0.751 2.105 0.660) 2.330 12.153 ( -2.198 -4.348 -1.026) 4.979 12.217 ( 3.323 5.328 1.721) 6.510 12.297 ( 1.016 0.315 -0.146) 1.074 12.309 ( -0.802 1.019 0.644) 1.448 12.363 ( -1.769 -1.893 -1.685) 3.090 12.443 ( 7.972 3.433 -3.943) 9.533 12.485 ( 6.708 1.670 -3.235) 7.632 12.624 ( -2.493 -0.463 0.187) 2.543 12.666 ( -2.703 -2.610 -0.106) 3.759 12.787 ( 4.633 2.758 6.214) 8.227 12.835 ( 8.344 0.695 5.129) 9.820 12.886 ( -2.077 4.114 5.432) 7.123 13.051 ( -7.243 -7.872 0.044) 10.698 13.167 ( 7.159 0.596 -3.396) 7.946 13.178 ( 5.131 -0.156 -3.944) 6.473 13.365 ( -14.520 2.963 0.400) 14.825 13.417 ( -12.001 -1.756 -0.616) 12.144 13.589 ( 0.888 0.164 0.309) 0.954 13.600 ( 1.572 -0.546 0.529) 1.746 13.624 ( -3.533 1.089 0.086) 3.698 13.647 ( -3.385 -0.695 -0.220) 3.463 14.823 ( 7.358 3.294 0.812) 8.102 14.842 ( 3.615 6.020 0.178) 7.024 14.926 ( 11.539 -5.523 -0.485) 12.802 14.998 ( 2.119 -6.807 -2.337) 7.502 15.279 ( 36.543 5.318 0.275) 36.929 15.365 ( 39.244 -2.237 -1.756) 39.347 16.072 ( -36.132 4.533 1.144) 36.434 16.188 ( -36.203 -5.255 -2.203) 36.649 16.588 ( 15.355 6.314 1.813) 16.701 16.717 ( 12.301 -4.108 -2.170) 13.149 17.059 ( -24.239 2.510 2.362) 24.482 17.144 ( -24.318 -4.146 -0.140) 24.669 19.637 ( 2.918 1.646 1.915) 3.858 19.674 ( 1.545 -0.166 1.739) 2.332 19.687 ( 0.324 0.183 2.442) 2.470 19.729 ( -1.635 -2.090 2.161) 3.423 20.788 ( 3.552 5.035 -3.712) 7.194 20.839 ( -0.696 4.162 -3.119) 5.248 20.933 ( 1.679 -5.711 -2.759) 6.561 20.979 ( -2.518 -6.281 -3.338) 7.546 21.201 ( 4.751 5.881 1.158) 7.648 21.318 ( 1.855 -1.174 -0.115) 2.199 21.353 ( -4.825 2.640 -0.300) 5.508 21.495 ( -10.017 -6.514 -3.020) 12.325 22.211 ( 9.013 6.336 2.099) 11.216 22.316 ( -0.208 6.995 -0.648) 7.028 22.351 ( 7.782 -4.598 2.761) 9.451 22.480 ( -3.641 -5.946 -0.656) 7.003 23.584 ( 1.105 1.479 0.357) 1.880 23.610 ( -1.450 1.505 -0.255) 2.105 23.626 ( 0.292 -1.927 0.346) 1.980 23.656 ( -2.423 -2.190 -0.357) 3.285 23.807 ( 1.808 2.710 0.834) 3.363 23.854 ( -0.913 1.529 -0.308) 1.807 23.870 ( -0.169 -0.714 0.877) 1.143 23.927 ( -3.659 -2.666 -0.510) 4.556 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 0.000 17.737) 17.737 0.939 ( 0.000 0.000 8.260) 8.260 1.066 ( 0.000 0.000 26.531) 26.531 1.230 ( 0.000 0.000 0.243) 0.243 1.475 ( 0.000 0.000 -4.154) 4.154 1.520 ( 0.000 0.000 -20.411) 20.411 1.600 ( 0.000 0.000 -6.599) 6.599 1.667 ( 0.000 0.000 -2.592) 2.592 2.016 ( 0.000 0.000 8.181) 8.181 2.074 ( 0.000 0.000 5.791) 5.791 2.196 ( 0.000 0.000 -9.705) 9.705 2.240 ( 0.000 0.000 -9.425) 9.425 2.463 ( 0.000 0.000 5.242) 5.242 2.555 ( 0.000 0.000 -4.565) 4.565 2.593 ( 0.000 0.000 6.850) 6.850 2.682 ( 0.000 0.000 -1.270) 1.270 2.739 ( 0.000 0.000 -1.626) 1.626 2.755 ( 0.000 0.000 -3.326) 3.326 2.798 ( 0.000 0.000 2.292) 2.292 2.825 ( 0.000 0.000 -2.406) 2.406 3.026 ( 0.000 0.000 4.231) 4.231 3.045 ( 0.000 0.000 2.883) 2.883 3.251 ( 0.000 0.000 2.595) 2.595 3.313 ( 0.000 0.000 -2.642) 2.642 3.335 ( 0.000 0.000 -1.932) 1.932 3.346 ( 0.000 0.000 -2.315) 2.315 3.367 ( 0.000 0.000 0.951) 0.951 3.387 ( 0.000 0.000 -1.526) 1.526 3.388 ( 0.000 0.000 3.709) 3.709 3.490 ( 0.000 0.000 -5.192) 5.192 3.524 ( 0.000 0.000 -2.519) 2.519 3.525 ( 0.000 0.000 -2.708) 2.708 3.668 ( 0.000 0.000 5.688) 5.688 3.747 ( 0.000 0.000 9.171) 9.171 3.780 ( 0.000 0.000 -6.182) 6.182 3.898 ( 0.000 0.000 7.457) 7.457 3.931 ( 0.000 0.000 -8.178) 8.178 3.969 ( 0.000 0.000 8.843) 8.843 4.006 ( 0.000 0.000 -1.986) 1.986 4.075 ( 0.000 0.000 -1.556) 1.556 4.144 ( 0.000 0.000 4.939) 4.939 4.169 ( 0.000 0.000 -0.062) 0.062 4.204 ( 0.000 0.000 1.650) 1.650 4.260 ( 0.000 0.000 -4.784) 4.784 4.308 ( 0.000 0.000 1.445) 1.445 4.357 ( 0.000 0.000 7.183) 7.183 4.362 ( 0.000 0.000 -5.690) 5.690 4.380 ( 0.000 0.000 2.646) 2.646 4.424 ( 0.000 0.000 1.241) 1.241 4.452 ( 0.000 0.000 -2.203) 2.203 4.484 ( 0.000 0.000 -5.748) 5.748 4.500 ( 0.000 0.000 -6.656) 6.656 4.579 ( 0.000 0.000 -0.720) 0.720 4.584 ( 0.000 0.000 -2.201) 2.201 4.834 ( 0.000 0.000 8.215) 8.215 4.893 ( 0.000 0.000 2.122) 2.122 4.910 ( 0.000 0.000 0.433) 0.433 4.945 ( 0.000 0.000 -2.431) 2.431 5.122 ( 0.000 0.000 1.683) 1.683 5.126 ( 0.000 0.000 5.836) 5.836 5.144 ( 0.000 0.000 -0.095) 0.095 5.162 ( 0.000 0.000 0.314) 0.314 5.167 ( 0.000 0.000 0.388) 0.388 5.266 ( 0.000 0.000 -3.510) 3.510 5.312 ( 0.000 0.000 -6.185) 6.185 5.324 ( 0.000 0.000 -3.288) 3.288 5.641 ( 0.000 0.000 1.910) 1.910 5.700 ( 0.000 0.000 -4.380) 4.380 5.867 ( 0.000 0.000 4.587) 4.587 5.983 ( 0.000 0.000 -7.779) 7.779 6.152 ( 0.000 0.000 1.425) 1.425 6.182 ( 0.000 0.000 -1.874) 1.874 6.204 ( 0.000 0.000 9.209) 9.209 6.365 ( 0.000 0.000 -7.788) 7.788 6.430 ( 0.000 0.000 8.434) 8.434 6.525 ( 0.000 0.000 3.482) 3.482 6.586 ( 0.000 0.000 -7.147) 7.147 6.586 ( 0.000 0.000 -3.199) 3.199 6.731 ( 0.000 0.000 1.339) 1.339 6.752 ( 0.000 0.000 -0.655) 0.655 6.752 ( 0.000 0.000 2.907) 2.907 6.796 ( 0.000 0.000 -1.359) 1.359 6.962 ( 0.000 0.000 3.134) 3.134 7.003 ( 0.000 0.000 -1.111) 1.111 7.147 ( 0.000 0.000 0.710) 0.710 7.151 ( 0.000 0.000 0.404) 0.404 7.275 ( 0.000 0.000 0.934) 0.934 7.313 ( 0.000 0.000 -2.937) 2.937 7.989 ( 0.000 0.000 4.263) 4.263 8.065 ( 0.000 0.000 -3.671) 3.671 8.096 ( 0.000 0.000 4.515) 4.515 8.176 ( 0.000 0.000 -3.837) 3.837 8.324 ( 0.000 0.000 3.535) 3.535 8.398 ( 0.000 0.000 -4.263) 4.263 8.651 ( 0.000 0.000 8.862) 8.862 8.798 ( 0.000 0.000 -6.642) 6.642 10.103 ( 0.000 0.000 6.773) 6.773 10.227 ( 0.000 0.000 6.569) 6.569 10.230 ( 0.000 0.000 -6.257) 6.257 10.365 ( 0.000 0.000 -7.645) 7.645 10.583 ( 0.000 0.000 4.300) 4.300 10.634 ( 0.000 0.000 3.525) 3.525 10.665 ( 0.000 0.000 -4.403) 4.403 10.705 ( 0.000 0.000 -3.840) 3.840 10.991 ( 0.000 0.000 0.946) 0.946 11.016 ( 0.000 0.000 -1.675) 1.675 11.090 ( 0.000 0.000 0.748) 0.748 11.103 ( 0.000 0.000 -0.542) 0.542 11.367 ( 0.000 0.000 1.453) 1.453 11.408 ( 0.000 0.000 -2.620) 2.620 11.633 ( 0.000 0.000 2.369) 2.369 11.682 ( 0.000 0.000 -2.839) 2.839 11.813 ( 0.000 0.000 1.433) 1.433 11.862 ( 0.000 0.000 -3.831) 3.831 12.186 ( 0.000 0.000 5.657) 5.657 12.220 ( 0.000 0.000 3.103) 3.103 12.242 ( 0.000 0.000 -0.460) 0.460 12.312 ( 0.000 0.000 -6.200) 6.200 12.334 ( 0.000 0.000 -1.230) 1.230 12.372 ( 0.000 0.000 -4.759) 4.759 12.747 ( 0.000 0.000 3.714) 3.714 12.751 ( 0.000 0.000 3.259) 3.259 12.877 ( 0.000 0.000 6.912) 6.912 12.937 ( 0.000 0.000 4.618) 4.618 13.016 ( 0.000 0.000 5.874) 5.874 13.145 ( 0.000 0.000 1.179) 1.179 13.166 ( 0.000 0.000 -9.572) 9.572 13.279 ( 0.000 0.000 -9.087) 9.087 13.540 ( 0.000 0.000 2.954) 2.954 13.578 ( 0.000 0.000 -1.032) 1.032 13.801 ( 0.000 0.000 0.540) 0.540 13.805 ( 0.000 0.000 -0.088) 0.088 13.970 ( 0.000 0.000 0.157) 0.157 13.972 ( 0.000 0.000 -0.103) 0.103 14.286 ( 0.000 0.000 17.391) 17.391 14.646 ( 0.000 0.000 -20.262) 20.262 15.749 ( 0.000 0.000 10.064) 10.064 15.962 ( 0.000 0.000 -12.308) 12.308 16.723 ( 0.000 0.000 5.788) 5.788 16.814 ( 0.000 0.000 -3.910) 3.910 17.769 ( 0.000 0.000 4.935) 4.935 17.879 ( 0.000 0.000 -6.514) 6.514 18.216 ( 0.000 0.000 6.415) 6.415 18.362 ( 0.000 0.000 -8.988) 8.988 19.537 ( 0.000 0.000 3.682) 3.682 19.593 ( 0.000 0.000 -2.417) 2.417 19.829 ( 0.000 0.000 2.059) 2.059 19.870 ( 0.000 0.000 -2.299) 2.299 20.093 ( 0.000 0.000 14.737) 14.737 20.346 ( 0.000 0.000 17.333) 17.333 20.362 ( 0.000 0.000 -12.926) 12.926 20.639 ( 0.000 0.000 -12.988) 12.988 20.715 ( 0.000 0.000 4.858) 4.858 20.824 ( 0.000 0.000 -6.403) 6.403 21.337 ( 0.000 0.000 5.544) 5.544 21.447 ( 0.000 0.000 -5.955) 5.955 21.816 ( 0.000 0.000 10.059) 10.059 21.958 ( 0.000 0.000 -5.113) 5.113 22.564 ( 0.000 0.000 7.190) 7.190 22.759 ( 0.000 0.000 -13.923) 13.923 23.577 ( 0.000 0.000 4.627) 4.627 23.658 ( 0.000 0.000 -3.165) 3.165 23.809 ( 0.000 0.000 1.638) 1.638 23.859 ( 0.000 0.000 -3.054) 3.054 24.004 ( 0.000 0.000 5.210) 5.210 24.070 ( 0.000 0.000 -2.235) 2.235 24.104 ( 0.000 0.000 1.077) 1.077 24.123 ( 0.000 0.000 -0.776) 0.776 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 13.320 0.000 16.806) 21.444 1.074 ( 2.049 0.000 19.849) 19.955 1.143 ( 20.596 0.000 10.832) 23.271 1.370 ( -3.457 0.000 -9.661) 10.261 1.413 ( 12.919 0.000 -7.004) 14.696 1.592 ( 10.558 0.000 -16.564) 19.643 1.681 ( 10.993 0.000 15.521) 19.019 1.927 ( 12.202 0.000 -9.805) 15.654 1.957 ( -4.481 0.000 5.392) 7.011 2.066 ( -8.358 0.000 -4.854) 9.666 2.102 ( 3.940 0.000 1.769) 4.319 2.253 ( 1.221 0.000 -9.598) 9.675 2.506 ( 1.459 0.000 1.089) 1.821 2.566 ( 0.891 0.000 -4.512) 4.599 2.637 ( 4.005 0.000 5.856) 7.095 2.730 ( 5.588 0.000 -2.036) 5.948 2.753 ( 1.429 0.000 -0.309) 1.462 2.773 ( 1.566 0.000 -1.711) 2.319 2.882 ( 5.375 0.000 1.484) 5.576 2.956 ( 7.395 0.000 -4.552) 8.684 2.975 ( -2.932 0.000 3.715) 4.733 3.028 ( -2.280 0.000 -0.786) 2.412 3.295 ( -3.729 0.000 0.731) 3.800 3.302 ( -2.766 0.000 1.539) 3.165 3.314 ( -2.639 0.000 -1.072) 2.849 3.365 ( 1.176 0.000 -0.502) 1.279 3.369 ( -1.882 0.000 -0.681) 2.002 3.386 ( 9.704 0.000 2.148) 9.939 3.435 ( 8.953 0.000 -2.235) 9.228 3.444 ( -4.337 0.000 -3.723) 5.716 3.523 ( -0.526 0.000 -0.179) 0.556 3.553 ( 0.455 0.000 -3.476) 3.505 3.604 ( -4.661 0.000 3.251) 5.683 3.642 ( -4.319 0.000 1.285) 4.506 3.871 ( -3.141 0.000 2.213) 3.842 3.872 ( -3.053 0.000 6.569) 7.244 3.939 ( 1.645 0.000 2.796) 3.244 3.961 ( -3.424 0.000 -0.338) 3.441 4.019 ( 1.075 0.000 -6.735) 6.821 4.050 ( -0.497 0.000 -3.763) 3.796 4.076 ( -6.983 0.000 1.954) 7.252 4.103 ( -5.384 0.000 -0.050) 5.385 4.191 ( -0.158 0.000 3.391) 3.395 4.194 ( 0.542 0.000 6.346) 6.369 4.285 ( -3.126 0.000 -2.418) 3.952 4.285 ( 1.536 0.000 -4.925) 5.159 4.342 ( -4.138 0.000 1.846) 4.531 4.364 ( 2.955 0.000 7.298) 7.874 4.409 ( -5.217 0.000 -4.965) 7.202 4.496 ( 5.888 0.000 -4.015) 7.126 4.548 ( -0.062 0.000 3.214) 3.215 4.587 ( 5.762 0.000 -1.267) 5.900 4.606 ( 2.166 0.000 -3.254) 3.909 4.658 ( 6.089 0.000 -5.966) 8.524 4.828 ( -3.499 0.000 5.886) 6.848 4.835 ( 0.032 0.000 5.881) 5.881 4.885 ( -4.024 0.000 0.777) 4.098 4.926 ( -0.906 0.000 -4.345) 4.439 5.061 ( -2.198 0.000 0.887) 2.370 5.100 ( -3.971 0.000 -2.161) 4.521 5.101 ( -0.531 0.000 3.610) 3.649 5.148 ( 0.728 0.000 -1.198) 1.402 5.299 ( 3.108 0.000 2.455) 3.960 5.346 ( 8.646 0.000 -0.450) 8.658 5.403 ( 8.914 0.000 -3.344) 9.520 5.440 ( 8.060 0.000 -6.649) 10.449 5.746 ( 8.834 0.000 0.211) 8.837 5.774 ( 6.547 0.000 -2.900) 7.161 5.896 ( 2.769 0.000 5.011) 5.725 6.006 ( 1.373 0.000 -6.661) 6.801 6.124 ( -2.561 0.000 1.907) 3.193 6.163 ( -2.029 0.000 -2.316) 3.079 6.181 ( -1.184 0.000 8.446) 8.529 6.320 ( -4.544 0.000 -5.972) 7.504 6.411 ( -1.865 0.000 8.338) 8.544 6.495 ( -3.361 0.000 1.913) 3.867 6.535 ( -4.948 0.000 -1.576) 5.193 6.560 ( -2.436 0.000 -6.670) 7.101 6.643 ( -6.658 0.000 1.124) 6.752 6.656 ( -3.901 0.000 -0.370) 3.919 6.756 ( 0.186 0.000 2.741) 2.748 6.803 ( 0.551 0.000 -1.898) 1.976 7.004 ( 2.882 0.000 2.558) 3.854 7.041 ( 2.546 0.000 -1.232) 2.828 7.130 ( -1.329 0.000 1.476) 1.986 7.148 ( -0.221 0.000 -0.317) 0.386 7.296 ( 1.918 0.000 1.390) 2.368 7.325 ( 1.258 0.000 -1.433) 1.907 7.987 ( -0.135 0.000 4.041) 4.044 8.060 ( -0.404 0.000 -3.623) 3.645 8.102 ( 0.516 0.000 4.138) 4.170 8.176 ( 0.073 0.000 -3.539) 3.540 8.309 ( -1.359 0.000 2.927) 3.227 8.368 ( -2.756 0.000 -3.258) 4.268 8.589 ( -4.826 0.000 6.917) 8.434 8.682 ( -7.967 0.000 -2.388) 8.317 10.075 ( -2.574 0.000 6.060) 6.584 10.180 ( -3.870 0.000 6.365) 7.450 10.187 ( -3.842 0.000 -5.446) 6.665 10.297 ( -5.720 0.000 -5.707) 8.080 10.547 ( -3.133 0.000 3.850) 4.963 10.608 ( -2.486 0.000 2.503) 3.528 10.625 ( -3.635 0.000 -4.253) 5.595 10.670 ( -3.162 0.000 -3.830) 4.966 11.190 ( 16.968 0.000 1.441) 17.029 11.224 ( 18.068 0.000 -2.069) 18.187 11.322 ( 17.165 0.000 0.404) 17.170 11.334 ( 17.018 0.000 -1.024) 17.048 11.419 ( 4.727 0.000 1.431) 4.939 11.456 ( 4.409 0.000 -2.320) 4.982 11.643 ( 1.006 0.000 2.306) 2.516 11.693 ( 0.927 0.000 -3.037) 3.175 11.952 ( 10.660 0.000 2.826) 11.028 12.042 ( 11.218 0.000 -7.081) 13.266 12.148 ( -1.670 0.000 5.781) 6.018 12.254 ( -0.250 0.000 -5.359) 5.364 12.275 ( 6.666 0.000 1.697) 6.878 12.338 ( 1.785 0.000 3.481) 3.912 12.348 ( 3.808 0.000 -5.532) 6.716 12.419 ( 2.810 0.000 -4.612) 5.400 12.744 ( 1.405 0.000 6.177) 6.335 12.807 ( 3.796 0.000 0.503) 3.829 12.839 ( -1.238 0.000 7.503) 7.604 12.940 ( -0.939 0.000 -1.591) 1.848 13.029 ( 1.158 0.000 5.502) 5.622 13.172 ( 0.332 0.000 -9.287) 9.292 13.263 ( 10.864 0.000 3.742) 11.490 13.382 ( 8.843 0.000 -6.997) 11.277 13.592 ( 5.660 0.000 3.408) 6.607 13.643 ( 7.015 0.000 -2.077) 7.316 13.771 ( -2.502 0.000 2.102) 3.268 13.803 ( -0.663 0.000 -1.366) 1.519 14.002 ( 2.610 0.000 0.381) 2.638 14.008 ( 3.380 0.000 -0.193) 3.385 14.201 ( -6.255 0.000 14.531) 15.820 14.498 ( -11.897 0.000 -16.352) 20.222 15.511 ( -20.297 0.000 5.993) 21.164 15.585 ( -28.269 0.000 0.221) 28.270 16.581 ( -6.847 0.000 9.978) 12.102 16.801 ( -5.292 0.000 -13.278) 14.294 17.657 ( -10.663 0.000 4.890) 11.731 17.765 ( -10.797 0.000 -6.337) 12.519 18.170 ( -5.614 0.000 6.017) 8.230 18.301 ( -6.541 0.000 -7.805) 10.183 19.506 ( -0.992 0.000 3.942) 4.065 19.577 ( -0.395 0.000 -3.420) 3.443 19.666 ( -5.384 0.000 7.897) 9.558 19.791 ( -3.740 0.000 -4.709) 6.014 20.348 ( 19.918 0.000 12.697) 23.621 20.569 ( 15.920 0.000 -9.149) 18.361 20.716 ( 0.697 0.000 4.123) 4.182 20.795 ( 23.742 0.000 4.817) 24.225 20.832 ( 1.211 0.000 -7.985) 8.076 20.969 ( 24.318 0.000 -11.569) 26.930 21.309 ( -1.762 0.000 4.589) 4.916 21.400 ( -3.770 0.000 -4.851) 6.143 21.821 ( 0.823 0.000 8.166) 8.207 21.934 ( -1.912 0.000 -3.905) 4.347 22.522 ( -3.677 0.000 5.853) 6.912 22.684 ( -6.612 0.000 -11.760) 13.492 23.570 ( -0.523 0.000 4.202) 4.234 23.647 ( -0.991 0.000 -3.476) 3.614 23.798 ( -0.927 0.000 2.408) 2.580 23.853 ( -0.809 0.000 -3.014) 3.121 23.944 ( -6.707 0.000 4.218) 7.923 23.965 ( -4.683 0.000 2.611) 5.362 24.082 ( -2.666 0.000 0.944) 2.828 24.122 ( -0.901 0.000 -2.669) 2.818 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 10.785 0.000 14.389) 17.982 1.240 ( 11.330 0.000 16.098) 19.685 1.438 ( 9.261 0.000 -8.809) 12.782 1.528 ( 10.057 0.000 -13.865) 17.128 1.672 ( 13.737 0.000 12.593) 18.636 1.862 ( 3.001 0.000 -6.114) 6.810 1.921 ( 8.968 0.000 16.511) 18.789 1.941 ( 4.977 0.000 2.896) 5.758 2.078 ( 18.108 0.000 -9.940) 20.657 2.089 ( 7.454 0.000 5.748) 9.413 2.223 ( 2.503 0.000 -9.557) 9.879 2.316 ( 6.034 0.000 -11.417) 12.914 2.542 ( 2.136 0.000 1.976) 2.910 2.597 ( 2.226 0.000 -3.815) 4.417 2.672 ( -0.559 0.000 4.187) 4.225 2.769 ( -5.298 0.000 -5.919) 7.943 2.793 ( 1.910 0.000 2.067) 2.814 2.828 ( 3.889 0.000 -0.832) 3.977 2.932 ( -1.011 0.000 1.078) 1.478 2.978 ( -1.871 0.000 -2.548) 3.161 2.980 ( 6.973 0.000 6.701) 9.671 3.107 ( 7.777 0.000 -5.326) 9.426 3.230 ( -3.534 0.000 3.082) 4.689 3.260 ( 0.198 0.000 2.204) 2.213 3.295 ( -5.536 0.000 -3.108) 6.348 3.328 ( 1.539 0.000 -4.300) 4.567 3.341 ( -3.000 0.000 1.545) 3.375 3.380 ( -2.014 0.000 -1.996) 2.835 3.464 ( -5.096 0.000 0.402) 5.112 3.472 ( -4.569 0.000 -0.391) 4.586 3.529 ( -2.354 0.000 0.567) 2.421 3.557 ( -3.256 0.000 -1.645) 3.648 3.615 ( 10.406 0.000 2.460) 10.693 3.648 ( 5.699 0.000 -1.185) 5.821 3.721 ( -6.581 0.000 3.416) 7.415 3.755 ( -6.740 0.000 6.511) 9.371 3.819 ( -7.789 0.000 -5.905) 9.774 3.905 ( -5.731 0.000 -6.454) 8.631 3.936 ( 0.360 0.000 2.311) 2.339 3.980 ( -3.983 0.000 -0.703) 4.044 4.083 ( 4.728 0.000 1.470) 4.951 4.137 ( 2.181 0.000 -4.147) 4.686 4.150 ( -6.053 0.000 4.526) 7.558 4.222 ( -5.023 0.000 -1.815) 5.341 4.274 ( 0.842 0.000 1.024) 1.326 4.277 ( 3.921 0.000 0.825) 4.007 4.284 ( -3.391 0.000 1.245) 3.612 4.340 ( 1.735 0.000 -4.496) 4.820 4.477 ( 6.815 0.000 10.269) 12.324 4.578 ( 0.165 0.000 1.185) 1.196 4.582 ( 2.385 0.000 5.116) 5.645 4.656 ( 1.197 0.000 -2.310) 2.601 4.669 ( 1.280 0.000 -0.770) 1.493 4.723 ( 3.332 0.000 -5.357) 6.308 4.774 ( -2.140 0.000 4.302) 4.805 4.782 ( -4.597 0.000 2.127) 5.065 4.829 ( -2.646 0.000 -1.436) 3.010 4.901 ( 0.545 0.000 -6.254) 6.277 4.999 ( -2.965 0.000 1.446) 3.299 5.057 ( -0.299 0.000 -2.354) 2.373 5.123 ( 2.385 0.000 4.988) 5.529 5.208 ( 5.454 0.000 -3.724) 6.604 5.358 ( 2.061 0.000 2.511) 3.248 5.436 ( 0.445 0.000 -4.205) 4.229 5.617 ( 10.654 0.000 -1.455) 10.753 5.651 ( 10.719 0.000 -3.669) 11.329 5.930 ( 7.809 0.000 0.003) 7.809 5.951 ( -1.528 0.000 3.338) 3.671 5.961 ( 9.690 0.000 -3.076) 10.166 5.983 ( -1.845 0.000 0.737) 1.987 6.054 ( -3.280 0.000 2.488) 4.117 6.093 ( -4.408 0.000 -1.502) 4.657 6.170 ( -4.026 0.000 1.927) 4.464 6.220 ( 0.083 0.000 -2.874) 2.875 6.354 ( -3.444 0.000 7.087) 7.880 6.397 ( -2.622 0.000 2.901) 3.911 6.442 ( -3.115 0.000 -1.087) 3.299 6.488 ( -4.260 0.000 -6.296) 7.602 6.598 ( 1.831 0.000 -0.523) 1.904 6.612 ( -0.386 0.000 -1.526) 1.574 6.749 ( -1.101 0.000 3.257) 3.438 6.813 ( 0.092 0.000 -3.318) 3.320 7.053 ( 1.565 0.000 2.197) 2.697 7.088 ( 1.709 0.000 -1.514) 2.284 7.106 ( -0.735 0.000 2.424) 2.533 7.143 ( -0.308 0.000 -1.246) 1.284 7.339 ( 1.520 0.000 1.585) 2.196 7.356 ( 1.310 0.000 -0.067) 1.312 7.984 ( -0.104 0.000 3.398) 3.399 8.050 ( -0.592 0.000 -3.462) 3.513 8.115 ( 0.701 0.000 3.496) 3.565 8.181 ( 0.327 0.000 -3.237) 3.254 8.269 ( -2.477 0.000 1.547) 2.920 8.293 ( -4.033 0.000 -1.015) 4.159 8.486 ( -4.679 0.000 4.217) 6.299 8.529 ( -6.458 0.000 -0.032) 6.458 10.007 ( -3.489 0.000 4.433) 5.641 10.089 ( -4.364 0.000 4.431) 6.219 10.090 ( -4.941 0.000 -4.040) 6.382 10.167 ( -6.063 0.000 -3.522) 7.012 10.468 ( -3.962 0.000 3.035) 4.991 10.533 ( -4.704 0.000 -3.665) 5.963 10.538 ( -3.929 0.000 1.345) 4.153 10.584 ( -4.743 0.000 -3.288) 5.771 11.530 ( 9.254 0.000 3.677) 9.957 11.545 ( 7.032 0.000 1.228) 7.138 11.575 ( 6.949 0.000 -1.767) 7.170 11.609 ( 10.545 0.000 -4.478) 11.457 11.681 ( 16.404 0.000 1.412) 16.464 11.710 ( 18.351 0.000 -1.567) 18.418 11.722 ( 9.093 0.000 1.385) 9.198 11.753 ( 9.483 0.000 -1.768) 9.647 12.111 ( 4.327 0.000 3.429) 5.521 12.151 ( 2.222 0.000 5.417) 5.855 12.194 ( 4.759 0.000 -4.840) 6.788 12.252 ( 0.222 0.000 -5.474) 5.479 12.377 ( 1.284 0.000 4.692) 4.865 12.427 ( 4.407 0.000 1.567) 4.677 12.467 ( 6.340 0.000 -2.654) 6.873 12.470 ( 1.606 0.000 -4.935) 5.190 12.807 ( 4.025 0.000 7.682) 8.673 12.858 ( 2.454 0.000 4.187) 4.853 12.901 ( 4.414 0.000 0.131) 4.416 12.927 ( 0.429 0.000 -2.433) 2.471 13.058 ( 1.294 0.000 2.305) 2.643 13.166 ( -1.105 0.000 -8.344) 8.416 13.471 ( 6.238 0.000 2.540) 6.735 13.529 ( 3.663 0.000 -2.845) 4.638 13.692 ( -4.662 0.000 4.585) 6.539 13.761 ( -3.673 0.000 -2.711) 4.565 13.861 ( 13.585 0.000 0.801) 13.609 13.884 ( 11.442 0.000 -1.557) 11.548 14.079 ( 8.524 0.000 2.873) 8.995 14.123 ( 11.623 0.000 -1.483) 11.718 14.168 ( 6.890 0.000 6.421) 9.418 14.306 ( -1.916 0.000 -7.781) 8.014 15.027 ( -20.542 0.000 5.663) 21.309 15.095 ( -16.513 0.000 -1.738) 16.604 16.451 ( -5.571 0.000 7.742) 9.538 16.648 ( -7.807 0.000 -12.751) 14.951 17.328 ( -20.667 0.000 4.998) 21.263 17.434 ( -20.752 0.000 -5.977) 21.596 17.960 ( -14.307 0.000 5.740) 15.416 18.070 ( -15.534 0.000 -5.832) 16.593 19.525 ( 2.546 0.000 3.699) 4.490 19.597 ( 2.065 0.000 -3.560) 4.116 19.643 ( 1.933 0.000 7.011) 7.272 19.762 ( 0.407 0.000 -4.668) 4.686 20.672 ( 2.099 0.000 7.383) 7.675 20.734 ( 5.574 0.000 1.957) 5.908 20.844 ( 9.940 0.000 2.052) 10.149 21.011 ( 14.909 0.000 -13.076) 19.831 21.055 ( 0.604 0.000 5.613) 5.645 21.203 ( -3.910 0.000 -7.930) 8.842 21.352 ( 5.562 0.000 4.362) 7.069 21.477 ( 11.834 0.000 -9.208) 14.994 21.865 ( 3.337 0.000 4.687) 5.754 21.921 ( 2.613 0.000 -1.514) 3.019 22.433 ( -4.357 0.000 4.555) 6.303 22.545 ( -4.454 0.000 -7.531) 8.749 23.561 ( -0.174 0.000 3.103) 3.108 23.621 ( -1.296 0.000 -3.077) 3.339 23.769 ( -1.991 0.000 2.605) 3.279 23.818 ( -2.675 0.000 -2.428) 3.613 23.823 ( -3.816 0.000 4.964) 6.262 23.879 ( -3.441 0.000 -0.498) 3.477 24.019 ( -3.192 0.000 2.809) 4.252 24.080 ( -2.929 0.000 -3.053) 4.231 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 10.778 0.000 13.059) 16.932 1.494 ( 15.638 0.000 11.152) 19.207 1.697 ( 13.969 0.000 -9.141) 16.694 1.713 ( 8.336 0.000 -11.052) 13.843 1.817 ( 5.072 0.000 5.820) 7.720 1.949 ( 5.964 0.000 -7.923) 9.917 2.018 ( 1.719 0.000 11.316) 11.446 2.139 ( 7.046 0.000 11.523) 13.507 2.216 ( -1.965 0.000 -8.241) 8.473 2.292 ( 9.548 0.000 7.386) 12.071 2.383 ( 4.789 0.000 -12.521) 13.406 2.429 ( 4.313 0.000 -5.682) 7.133 2.590 ( -2.679 0.000 -0.331) 2.699 2.601 ( 2.171 0.000 -1.526) 2.653 2.669 ( 2.615 0.000 2.864) 3.878 2.734 ( 6.464 0.000 -3.517) 7.359 2.808 ( -0.520 0.000 3.570) 3.608 2.884 ( -0.062 0.000 -5.422) 5.422 2.936 ( 1.272 0.000 2.147) 2.495 2.971 ( 0.787 0.000 -1.112) 1.362 3.128 ( 1.993 0.000 4.469) 4.893 3.158 ( -4.486 0.000 1.328) 4.678 3.174 ( -8.098 0.000 0.065) 8.098 3.181 ( -4.368 0.000 -1.453) 4.603 3.231 ( -3.394 0.000 3.322) 4.750 3.294 ( -1.674 0.000 1.290) 2.113 3.316 ( 3.964 0.000 -4.950) 6.341 3.329 ( 0.311 0.000 -2.754) 2.771 3.361 ( -1.031 0.000 1.897) 2.159 3.414 ( -0.504 0.000 -2.678) 2.725 3.490 ( -2.471 0.000 0.603) 2.543 3.517 ( -1.149 0.000 -2.408) 2.668 3.620 ( -2.668 0.000 2.456) 3.626 3.638 ( -1.288 0.000 0.898) 1.570 3.653 ( 0.194 0.000 0.702) 0.729 3.704 ( -2.709 0.000 -4.090) 4.906 3.852 ( 7.992 0.000 2.171) 8.281 3.867 ( 1.354 0.000 1.756) 2.217 3.987 ( 3.358 0.000 -1.367) 3.625 4.019 ( -2.792 0.000 5.421) 6.098 4.038 ( 6.445 0.000 -4.724) 7.991 4.117 ( -4.225 0.000 -3.831) 5.703 4.144 ( 0.625 0.000 0.811) 1.024 4.161 ( 1.165 0.000 -0.022) 1.165 4.230 ( -3.536 0.000 5.027) 6.146 4.248 ( -3.857 0.000 1.998) 4.344 4.283 ( -2.317 0.000 -0.759) 2.438 4.338 ( -2.949 0.000 -6.074) 6.752 4.523 ( -3.782 0.000 2.158) 4.354 4.581 ( -1.857 0.000 -2.403) 3.037 4.595 ( -6.633 0.000 3.414) 7.460 4.641 ( 2.313 0.000 7.438) 7.789 4.661 ( 2.535 0.000 3.176) 4.063 4.688 ( -5.815 0.000 -5.187) 7.792 4.745 ( 0.747 0.000 -5.158) 5.212 4.768 ( 0.678 0.000 -6.444) 6.479 4.852 ( 6.906 0.000 7.062) 9.878 4.960 ( 3.350 0.000 -3.952) 5.181 4.971 ( -0.771 0.000 5.414) 5.469 5.050 ( -1.047 0.000 -2.067) 2.317 5.213 ( 6.792 0.000 8.504) 10.883 5.363 ( 8.597 0.000 -6.560) 10.814 5.384 ( 0.787 0.000 -0.658) 1.025 5.405 ( -1.923 0.000 -2.563) 3.204 5.774 ( -3.768 0.000 3.189) 4.937 5.830 ( -4.179 0.000 0.296) 4.189 5.853 ( 8.467 0.000 -1.010) 8.528 5.908 ( -0.702 0.000 -2.712) 2.802 5.927 ( -5.458 0.000 3.896) 6.706 5.963 ( -6.053 0.000 -0.271) 6.060 6.108 ( 5.321 0.000 1.255) 5.467 6.166 ( 6.669 0.000 -3.632) 7.594 6.172 ( 2.735 0.000 5.808) 6.419 6.224 ( 0.191 0.000 0.725) 0.750 6.288 ( -1.555 0.000 4.185) 4.465 6.387 ( -0.325 0.000 -1.749) 1.779 6.397 ( -3.601 0.000 -6.474) 7.408 6.423 ( 0.538 0.000 -4.604) 4.635 6.667 ( 6.021 0.000 1.127) 6.125 6.688 ( 6.071 0.000 -1.004) 6.153 6.709 ( -2.484 0.000 3.942) 4.659 6.793 ( -2.190 0.000 -4.601) 5.096 7.066 ( -0.322 0.000 1.989) 2.014 7.101 ( 0.242 0.000 2.085) 2.099 7.103 ( -0.427 0.000 -1.955) 2.001 7.135 ( -0.433 0.000 -1.226) 1.300 7.344 ( -0.923 0.000 2.107) 2.301 7.365 ( -0.789 0.000 -0.190) 0.812 7.984 ( 0.160 0.000 2.589) 2.594 8.037 ( -0.687 0.000 -2.948) 3.027 8.132 ( 0.894 0.000 2.718) 2.861 8.186 ( 0.018 0.000 -2.863) 2.863 8.204 ( -3.264 0.000 1.250) 3.495 8.221 ( -2.773 0.000 -0.265) 2.785 8.398 ( -3.705 0.000 2.420) 4.425 8.416 ( -4.217 0.000 0.778) 4.288 9.943 ( -2.357 0.000 2.629) 3.531 9.995 ( -3.869 0.000 -2.730) 4.735 10.014 ( -2.527 0.000 2.397) 3.483 10.061 ( -3.915 0.000 -2.379) 4.582 10.399 ( -2.446 0.000 2.055) 3.195 10.443 ( -3.634 0.000 -2.565) 4.448 10.458 ( -3.369 0.000 0.543) 3.413 10.487 ( -4.249 0.000 -2.338) 4.850 11.581 ( 0.258 0.000 2.669) 2.681 11.625 ( -0.380 0.000 -1.914) 1.951 11.746 ( 8.545 0.000 -0.444) 8.556 11.751 ( 8.843 0.000 -0.805) 8.879 11.935 ( 8.323 0.000 3.042) 8.861 11.979 ( 10.627 0.000 3.419) 11.164 11.990 ( 7.580 0.000 -2.504) 7.983 12.042 ( 11.445 0.000 -3.042) 11.842 12.205 ( 5.197 0.000 2.064) 5.592 12.228 ( 3.969 0.000 1.036) 4.102 12.260 ( 0.565 0.000 -2.357) 2.424 12.263 ( 2.177 0.000 -3.586) 4.195 12.370 ( -2.422 0.000 4.273) 4.911 12.449 ( -4.107 0.000 -3.918) 5.676 12.517 ( 7.035 0.000 3.182) 7.721 12.579 ( 5.746 0.000 -2.805) 6.394 12.869 ( 1.297 0.000 7.775) 7.883 12.909 ( 2.342 0.000 4.157) 4.772 12.933 ( -1.810 0.000 5.391) 5.687 12.966 ( 3.172 0.000 -2.055) 3.779 13.062 ( -0.719 0.000 -4.444) 4.502 13.129 ( -2.227 0.000 -7.887) 8.195 13.541 ( 0.966 0.000 1.621) 1.887 13.570 ( 0.708 0.000 -1.284) 1.467 13.627 ( -1.125 0.000 3.409) 3.590 13.684 ( -2.777 0.000 -2.448) 3.702 13.788 ( -14.814 0.000 0.752) 14.833 13.799 ( -13.755 0.000 -0.277) 13.758 14.534 ( 20.111 0.000 0.596) 20.120 14.537 ( 26.581 0.000 1.807) 26.643 14.545 ( 23.788 0.000 -0.570) 23.795 14.574 ( 28.620 0.000 -1.979) 28.688 14.816 ( 1.022 0.000 6.381) 6.462 14.935 ( 0.626 0.000 -6.101) 6.133 16.384 ( 0.879 0.000 6.155) 6.217 16.535 ( -1.396 0.000 -9.483) 9.585 16.799 ( -29.729 0.000 5.218) 30.184 16.902 ( -29.979 0.000 -5.398) 30.461 17.586 ( -21.065 0.000 4.695) 21.581 17.665 ( -22.589 0.000 -3.683) 22.888 19.593 ( 3.532 0.000 3.076) 4.684 19.647 ( 2.277 0.000 -2.153) 3.134 19.706 ( 3.353 0.000 5.107) 6.110 19.782 ( 1.018 0.000 -2.235) 2.456 20.674 ( -0.060 0.000 3.508) 3.509 20.752 ( -1.116 0.000 -3.813) 3.973 21.001 ( -3.049 0.000 2.013) 3.654 21.053 ( 6.825 0.000 6.922) 9.721 21.086 ( -5.457 0.000 -5.882) 8.024 21.208 ( 3.138 0.000 -9.403) 9.913 21.432 ( 1.280 0.000 6.510) 6.635 21.589 ( -1.189 0.000 -10.398) 10.466 21.988 ( 8.858 0.000 4.892) 10.119 22.059 ( 8.578 0.000 -2.790) 9.020 22.398 ( 2.052 0.000 7.053) 7.345 22.519 ( 0.693 0.000 -5.852) 5.892 23.564 ( 0.415 0.000 1.737) 1.786 23.598 ( -0.864 0.000 -1.806) 2.002 23.715 ( -2.999 0.000 1.713) 3.454 23.746 ( -3.873 0.000 -1.542) 4.169 23.783 ( -0.389 0.000 3.053) 3.077 23.829 ( -1.419 0.000 -1.687) 2.204 23.954 ( -2.830 0.000 3.098) 4.196 24.009 ( -3.607 0.000 -2.546) 4.416 ======================= Grid point 58 (25/30) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 9.672 0.000 10.243) 14.087 1.801 ( 12.662 0.000 8.240) 15.107 1.837 ( -1.171 0.000 3.193) 3.401 1.908 ( 5.282 0.000 -3.770) 6.489 1.963 ( 10.246 0.000 -7.259) 12.557 1.992 ( -4.625 0.000 6.742) 8.176 2.010 ( -1.656 0.000 -5.839) 6.069 2.135 ( -5.906 0.000 -6.795) 9.003 2.268 ( 7.714 0.000 1.596) 7.877 2.363 ( -1.964 0.000 -7.631) 7.880 2.453 ( 5.677 0.000 4.488) 7.237 2.502 ( 1.672 0.000 0.261) 1.692 2.558 ( -0.672 0.000 1.921) 2.035 2.597 ( -3.254 0.000 -1.947) 3.792 2.777 ( 4.060 0.000 2.339) 4.686 2.802 ( 1.165 0.000 2.515) 2.772 2.831 ( -0.330 0.000 -2.756) 2.776 2.859 ( -2.446 0.000 -3.001) 3.872 2.949 ( 0.153 0.000 -0.243) 0.287 2.962 ( -1.346 0.000 -0.766) 1.549 3.000 ( -2.657 0.000 -0.495) 2.703 3.026 ( -4.416 0.000 -2.153) 4.913 3.082 ( -1.944 0.000 -0.410) 1.987 3.091 ( -2.918 0.000 -1.838) 3.449 3.250 ( 2.367 0.000 5.875) 6.334 3.309 ( 0.989 0.000 1.375) 1.694 3.328 ( -4.328 0.000 3.780) 5.747 3.334 ( -1.161 0.000 -1.517) 1.910 3.345 ( 0.394 0.000 -3.768) 3.789 3.386 ( -2.717 0.000 -2.116) 3.444 3.466 ( 2.026 0.000 1.705) 2.648 3.507 ( -0.418 0.000 -2.463) 2.498 3.685 ( 1.618 0.000 -0.243) 1.636 3.694 ( 0.476 0.000 -1.188) 1.280 3.725 ( 11.402 0.000 3.341) 11.881 3.765 ( 10.030 0.000 0.043) 10.030 3.867 ( -1.635 0.000 4.758) 5.031 3.935 ( -3.506 0.000 -2.027) 4.050 3.964 ( 1.390 0.000 4.784) 4.981 4.026 ( 0.074 0.000 0.009) 0.075 4.079 ( -4.658 0.000 4.928) 6.781 4.102 ( -2.295 0.000 2.984) 3.764 4.127 ( -4.706 0.000 0.811) 4.775 4.136 ( -3.281 0.000 -1.606) 3.653 4.215 ( 7.472 0.000 -1.981) 7.730 4.229 ( 3.961 0.000 1.611) 4.276 4.276 ( 0.587 0.000 -2.341) 2.413 4.280 ( 2.999 0.000 -7.877) 8.428 4.429 ( -3.369 0.000 -1.925) 3.881 4.433 ( -7.557 0.000 0.319) 7.564 4.468 ( -5.862 0.000 -5.105) 7.773 4.487 ( -9.512 0.000 -5.062) 10.775 4.750 ( 3.222 0.000 1.209) 3.442 4.761 ( 6.114 0.000 4.479) 7.579 4.772 ( 0.890 0.000 -1.202) 1.495 4.833 ( 2.880 0.000 -2.196) 3.622 4.927 ( -2.120 0.000 3.514) 4.104 4.962 ( 3.320 0.000 3.118) 4.555 4.993 ( -4.565 0.000 -2.512) 5.210 4.997 ( -0.003 0.000 -0.569) 0.569 5.393 ( 2.275 0.000 1.033) 2.499 5.397 ( 9.379 0.000 8.662) 12.767 5.427 ( 1.423 0.000 -2.117) 2.551 5.501 ( 1.994 0.000 -1.740) 2.646 5.625 ( -4.603 0.000 2.561) 5.268 5.676 ( -7.340 0.000 -2.463) 7.743 5.817 ( -3.122 0.000 4.448) 5.434 5.848 ( -4.463 0.000 0.695) 4.517 5.989 ( 4.183 0.000 2.272) 4.760 6.007 ( 3.252 0.000 0.393) 3.276 6.154 ( 0.751 0.000 -1.050) 1.291 6.197 ( -2.657 0.000 -4.252) 5.014 6.200 ( 0.889 0.000 5.432) 5.504 6.228 ( -0.739 0.000 1.911) 2.049 6.332 ( 4.234 0.000 1.944) 4.659 6.381 ( 0.334 0.000 -2.818) 2.838 6.402 ( 1.338 0.000 -4.416) 4.614 6.422 ( -0.446 0.000 -5.940) 5.957 6.673 ( 0.130 0.000 0.808) 0.819 6.725 ( -3.822 0.000 -4.120) 5.620 6.799 ( 4.820 0.000 1.033) 4.930 6.812 ( 4.095 0.000 -0.124) 4.096 7.053 ( -0.224 0.000 0.686) 0.722 7.076 ( -1.826 0.000 -1.671) 2.475 7.111 ( 0.618 0.000 0.906) 1.096 7.124 ( -0.589 0.000 -0.360) 0.690 7.317 ( -0.940 0.000 1.677) 1.923 7.329 ( -1.933 0.000 0.323) 1.960 7.995 ( 0.885 0.000 1.452) 1.700 8.018 ( -1.138 0.000 -0.886) 1.442 8.153 ( 1.162 0.000 1.331) 1.767 8.160 ( -0.703 0.000 0.611) 0.932 8.173 ( -1.687 0.000 -0.549) 1.775 8.177 ( -0.898 0.000 -1.069) 1.396 8.345 ( -1.050 0.000 1.446) 1.787 8.354 ( -1.775 0.000 0.565) 1.863 9.916 ( -0.240 0.000 0.782) 0.818 9.934 ( -1.950 0.000 -1.091) 2.234 9.986 ( -0.203 0.000 0.571) 0.606 10.002 ( -1.745 0.000 -1.109) 2.067 10.370 ( -0.280 0.000 0.585) 0.649 10.386 ( -1.771 0.000 -1.066) 2.067 10.409 ( -1.063 0.000 -0.291) 1.102 10.419 ( -1.995 0.000 -1.283) 2.372 11.586 ( 0.440 0.000 1.289) 1.362 11.603 ( -1.171 0.000 -0.521) 1.282 11.922 ( 6.802 0.000 0.094) 6.803 11.932 ( 6.814 0.000 -0.861) 6.868 12.061 ( 4.824 0.000 1.480) 5.046 12.083 ( 3.242 0.000 -0.643) 3.306 12.115 ( 3.753 0.000 4.927) 6.194 12.159 ( 0.334 0.000 2.773) 2.793 12.217 ( -6.173 0.000 0.976) 6.249 12.234 ( -5.788 0.000 -0.678) 5.827 12.268 ( 2.198 0.000 -4.682) 5.172 12.301 ( 0.010 0.000 -5.774) 5.774 12.330 ( 0.851 0.000 0.483) 0.978 12.355 ( -1.895 0.000 -2.066) 2.803 12.724 ( 8.441 0.000 2.114) 8.702 12.739 ( 6.731 0.000 0.554) 6.754 12.871 ( -0.277 0.000 6.769) 6.774 12.884 ( -1.689 0.000 6.895) 7.099 12.995 ( 8.735 0.000 5.611) 10.382 13.055 ( 0.491 0.000 -5.749) 5.770 13.082 ( 8.922 0.000 -3.545) 9.600 13.083 ( -1.972 0.000 -7.119) 7.387 13.365 ( -19.245 0.000 2.508) 19.408 13.407 ( -15.244 0.000 -2.022) 15.378 13.596 ( 0.171 0.000 0.671) 0.693 13.609 ( -1.725 0.000 -0.503) 1.797 13.625 ( 0.583 0.000 1.217) 1.349 13.645 ( -1.261 0.000 -0.751) 1.467 14.804 ( 5.937 0.000 1.990) 6.262 14.818 ( 4.981 0.000 0.929) 5.067 14.981 ( 7.361 0.000 -0.826) 7.407 15.013 ( 3.283 0.000 -3.689) 4.938 15.236 ( 36.605 0.000 3.386) 36.761 15.308 ( 36.752 0.000 -4.227) 36.995 16.112 ( -34.004 0.000 5.278) 34.411 16.201 ( -35.615 0.000 -4.099) 35.850 16.555 ( 14.992 0.000 3.823) 15.472 16.644 ( 10.538 0.000 -5.543) 11.907 17.122 ( -20.484 0.000 3.670) 20.810 17.174 ( -21.970 0.000 -1.903) 22.052 19.656 ( 2.191 0.000 1.987) 2.958 19.677 ( 0.319 0.000 0.055) 0.323 19.765 ( 2.137 0.000 3.011) 3.692 19.791 ( -0.309 0.000 0.591) 0.667 20.684 ( 1.127 0.000 -0.293) 1.165 20.718 ( -1.885 0.000 -3.444) 3.926 20.967 ( -0.066 0.000 -1.657) 1.658 20.997 ( -2.921 0.000 -4.433) 5.309 21.147 ( 3.050 0.000 3.345) 4.527 21.202 ( -2.197 0.000 -2.473) 3.308 21.447 ( 1.295 0.000 2.887) 3.164 21.509 ( -4.447 0.000 -3.719) 5.797 22.166 ( 6.179 0.000 2.061) 6.514 22.198 ( 3.247 0.000 -1.336) 3.511 22.476 ( 3.911 0.000 3.351) 5.151 22.527 ( -0.725 0.000 -1.930) 2.062 23.576 ( 0.603 0.000 0.559) 0.822 23.586 ( -0.394 0.000 -0.444) 0.594 23.662 ( -1.438 0.000 0.518) 1.528 23.674 ( -2.489 0.000 -0.753) 2.601 23.791 ( 0.873 0.000 1.215) 1.496 23.810 ( -0.779 0.000 -0.732) 1.069 23.915 ( -0.441 0.000 1.411) 1.478 23.941 ( -2.602 0.000 -1.241) 2.883 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.000 -8.354 13.798) 16.130 0.875 ( 0.000 -27.090 -14.580) 30.764 0.892 ( 0.000 7.175 3.788) 8.113 1.067 ( 0.000 -3.509 -7.320) 8.117 1.530 ( 0.000 1.941 7.886) 8.121 1.563 ( 0.000 0.995 7.379) 7.446 1.734 ( 0.000 13.998 10.165) 17.299 1.842 ( 0.000 -1.328 -0.018) 1.328 1.910 ( 0.000 -2.140 0.125) 2.144 2.046 ( 0.000 -3.573 -11.219) 11.774 2.292 ( 0.000 11.058 -0.197) 11.059 2.349 ( 0.000 7.847 -5.923) 9.831 2.519 ( 0.000 -2.967 5.783) 6.500 2.586 ( 0.000 -6.650 -1.848) 6.902 2.623 ( 0.000 3.056 4.882) 5.759 2.655 ( 0.000 -1.452 2.460) 2.857 2.727 ( 0.000 1.789 -1.724) 2.484 2.738 ( 0.000 0.485 -0.891) 1.014 2.804 ( 0.000 4.818 -1.506) 5.048 2.840 ( 0.000 4.513 -4.145) 6.127 2.987 ( 0.000 -4.519 0.045) 4.519 2.992 ( 0.000 -6.691 -1.383) 6.832 3.216 ( 0.000 -2.466 2.462) 3.485 3.230 ( 0.000 -3.192 -0.114) 3.194 3.309 ( 0.000 3.373 3.330) 4.740 3.349 ( 0.000 -0.132 -1.790) 1.795 3.385 ( 0.000 -1.574 -2.002) 2.547 3.398 ( 0.000 -2.183 -3.148) 3.831 3.488 ( 0.000 0.691 0.538) 0.876 3.495 ( 0.000 1.825 2.358) 2.982 3.505 ( 0.000 4.544 -1.050) 4.664 3.584 ( 0.000 6.212 -4.352) 7.585 3.645 ( 0.000 -4.838 4.161) 6.381 3.748 ( 0.000 -5.729 -5.673) 8.062 3.777 ( 0.000 2.251 7.257) 7.598 3.828 ( 0.000 -2.630 3.703) 4.542 3.935 ( 0.000 5.699 4.154) 7.052 4.004 ( 0.000 3.484 -1.340) 3.733 4.091 ( 0.000 -4.821 2.159) 5.282 4.098 ( 0.000 2.021 1.077) 2.290 4.119 ( 0.000 -6.102 0.930) 6.172 4.146 ( 0.000 -1.574 0.865) 1.796 4.208 ( 0.000 1.077 2.285) 2.525 4.219 ( 0.000 6.874 -4.712) 8.334 4.264 ( 0.000 -4.140 2.567) 4.872 4.272 ( 0.000 -4.423 -2.828) 5.250 4.277 ( 0.000 -2.169 -2.332) 3.185 4.358 ( 0.000 -3.561 -8.625) 9.331 4.439 ( 0.000 2.086 -0.035) 2.086 4.467 ( 0.000 -0.043 -1.796) 1.797 4.493 ( 0.000 2.986 0.029) 2.986 4.548 ( 0.000 1.080 -4.498) 4.626 4.608 ( 0.000 2.086 3.309) 3.911 4.666 ( 0.000 -0.595 -2.667) 2.732 4.832 ( 0.000 0.754 1.794) 1.946 4.835 ( 0.000 -0.359 1.592) 1.632 4.999 ( 0.000 4.329 2.664) 5.083 5.026 ( 0.000 1.647 -0.308) 1.676 5.103 ( 0.000 0.044 4.000) 4.001 5.126 ( 0.000 -0.837 3.814) 3.905 5.182 ( 0.000 1.608 -0.157) 1.615 5.184 ( 0.000 2.262 -1.398) 2.659 5.248 ( 0.000 8.429 1.199) 8.514 5.288 ( 0.000 0.257 -0.042) 0.261 5.309 ( 0.000 -1.046 -2.320) 2.545 5.332 ( 0.000 2.712 -6.359) 6.913 5.533 ( 0.000 -7.960 -2.720) 8.412 5.539 ( 0.000 -8.908 -3.000) 9.400 5.970 ( 0.000 5.238 3.668) 6.395 6.038 ( 0.000 2.829 -1.660) 3.280 6.089 ( 0.000 -2.791 1.502) 3.169 6.149 ( 0.000 -2.319 -3.027) 3.813 6.313 ( 0.000 5.157 1.119) 5.277 6.337 ( 0.000 1.199 0.331) 1.244 6.413 ( 0.000 -2.414 1.566) 2.878 6.452 ( 0.000 -5.894 -0.554) 5.920 6.579 ( 0.000 0.328 2.328) 2.351 6.598 ( 0.000 -0.179 0.574) 0.601 6.701 ( 0.000 -1.805 -1.593) 2.408 6.709 ( 0.000 -1.258 -2.596) 2.885 6.770 ( 0.000 0.878 1.687) 1.901 6.790 ( 0.000 -0.842 -0.415) 0.939 6.970 ( 0.000 0.770 2.298) 2.424 6.991 ( 0.000 -0.961 0.048) 0.963 7.170 ( 0.000 1.382 -0.119) 1.388 7.171 ( 0.000 1.261 -0.092) 1.265 7.263 ( 0.000 -0.685 1.095) 1.292 7.278 ( 0.000 -2.121 -0.085) 2.123 8.005 ( 0.000 1.384 3.763) 4.010 8.041 ( 0.000 -1.604 1.525) 2.214 8.125 ( 0.000 1.800 -0.982) 2.051 8.161 ( 0.000 -1.297 -3.286) 3.533 8.357 ( 0.000 2.317 1.669) 2.855 8.394 ( 0.000 -0.765 -2.112) 2.247 8.660 ( 0.000 1.403 5.645) 5.816 8.729 ( 0.000 -4.470 -1.145) 4.614 10.127 ( 0.000 2.011 6.886) 7.174 10.180 ( 0.000 -2.507 6.227) 6.712 10.276 ( 0.000 2.435 -6.360) 6.811 10.332 ( 0.000 -2.476 -7.366) 7.771 10.602 ( 0.000 1.290 3.884) 4.093 10.625 ( 0.000 -0.745 3.407) 3.488 10.683 ( 0.000 0.993 -4.060) 4.180 10.699 ( 0.000 -0.487 -3.843) 3.873 11.012 ( 0.000 1.072 -1.293) 1.680 11.021 ( 0.000 0.177 -1.852) 1.860 11.092 ( 0.000 0.208 0.428) 0.476 11.099 ( 0.000 -0.310 -0.215) 0.378 11.380 ( 0.000 0.982 0.521) 1.112 11.401 ( 0.000 -0.691 -1.520) 1.670 11.642 ( 0.000 0.635 0.135) 0.649 11.662 ( 0.000 -1.240 -1.998) 2.352 11.862 ( 0.000 3.307 1.356) 3.575 11.893 ( 0.000 1.164 -1.726) 2.082 12.159 ( 0.000 -0.860 -0.361) 0.933 12.191 ( 0.000 -3.232 -3.211) 4.556 12.282 ( 0.000 3.042 3.007) 4.277 12.309 ( 0.000 0.046 -1.454) 1.454 12.405 ( 0.000 7.744 4.619) 9.017 12.543 ( 0.000 11.423 -7.704) 13.778 12.635 ( 0.000 -9.830 7.821) 12.562 12.724 ( 0.000 -3.513 -0.129) 3.516 12.869 ( 0.000 -0.060 5.323) 5.324 12.902 ( 0.000 -2.716 3.491) 4.424 13.051 ( 0.000 2.947 2.560) 3.903 13.127 ( 0.000 -3.083 -6.014) 6.759 13.160 ( 0.000 1.201 1.260) 1.741 13.221 ( 0.000 -4.061 -2.355) 4.695 13.506 ( 0.000 -1.936 1.013) 2.186 13.511 ( 0.000 -2.905 0.229) 2.914 13.832 ( 0.000 2.226 1.275) 2.566 13.851 ( 0.000 1.670 -0.772) 1.840 13.968 ( 0.000 0.365 -0.075) 0.373 13.972 ( 0.000 0.212 -0.536) 0.576 14.203 ( 0.000 -0.966 0.622) 1.149 14.379 ( 0.000 -15.486 -16.951) 22.960 16.072 ( 0.000 20.357 11.564) 23.412 16.246 ( 0.000 13.213 -6.334) 14.653 16.609 ( 0.000 -6.689 5.965) 8.962 16.716 ( 0.000 -8.675 -4.968) 9.997 17.792 ( 0.000 1.977 3.161) 3.728 17.846 ( 0.000 -2.513 -2.052) 3.244 18.258 ( 0.000 3.247 0.947) 3.383 18.329 ( 0.000 -2.745 -6.251) 6.828 19.561 ( 0.000 1.924 3.432) 3.934 19.595 ( 0.000 -0.524 0.106) 0.534 19.810 ( 0.000 -0.449 0.634) 0.777 19.838 ( 0.000 -2.299 -1.987) 3.039 20.132 ( 0.000 3.308 14.770) 15.136 20.230 ( 0.000 -5.391 12.770) 13.861 20.474 ( 0.000 5.335 -8.037) 9.647 20.584 ( 0.000 -4.334 -11.665) 12.444 20.764 ( 0.000 3.753 3.562) 5.175 20.827 ( 0.000 -0.938 -2.528) 2.696 21.227 ( 0.000 -4.155 0.129) 4.157 21.273 ( 0.000 -8.040 -4.225) 9.082 22.004 ( 0.000 11.358 11.109) 15.887 22.121 ( 0.000 4.208 0.762) 4.276 22.560 ( 0.000 2.212 -2.254) 3.158 22.685 ( 0.000 -6.260 -13.412) 14.801 23.602 ( 0.000 2.253 4.152) 4.724 23.652 ( 0.000 -1.258 0.109) 1.263 23.783 ( 0.000 -0.699 -0.696) 0.987 23.817 ( 0.000 -2.905 -3.134) 4.273 24.018 ( 0.000 1.150 4.367) 4.516 24.052 ( 0.000 -1.721 0.990) 1.985 24.103 ( 0.000 -0.470 0.144) 0.491 24.103 ( 0.000 -0.141 0.276) 0.310 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 13.272 -8.147 12.052) 19.691 0.910 ( 5.915 -24.424 -11.923) 27.815 1.156 ( 18.988 9.272 10.514) 23.602 1.340 ( 20.145 -1.533 -6.939) 21.362 1.477 ( -0.427 -1.349 6.635) 6.784 1.500 ( 0.444 -0.855 5.143) 5.232 1.884 ( 5.505 1.912 2.888) 6.504 1.904 ( 1.108 0.859 0.068) 1.404 1.970 ( 6.950 4.289 1.164) 8.250 2.101 ( 7.876 1.111 -8.004) 11.283 2.280 ( -1.424 12.622 -0.761) 12.724 2.338 ( -1.796 6.076 -6.029) 8.746 2.523 ( -0.663 0.238 3.333) 3.406 2.568 ( 0.734 -3.270 1.754) 3.783 2.638 ( 2.589 1.136 1.660) 3.279 2.686 ( 6.095 -3.002 -0.622) 6.823 2.744 ( 4.133 -2.990 0.368) 5.114 2.773 ( 0.486 -1.594 -3.000) 3.432 2.871 ( 4.924 4.409 2.645) 7.119 2.949 ( 1.502 1.884 -3.401) 4.169 3.003 ( 0.024 0.298 0.641) 0.707 3.020 ( 5.245 -3.879 -1.727) 6.748 3.224 ( -1.835 -1.761 -0.109) 2.545 3.256 ( -3.635 0.677 -2.519) 4.474 3.283 ( 2.981 -3.993 4.079) 6.440 3.331 ( -1.763 -0.239 1.192) 2.141 3.362 ( -3.087 -1.852 -2.781) 4.549 3.369 ( 3.057 -3.685 -2.665) 5.480 3.464 ( -0.470 3.545 2.580) 4.409 3.506 ( 0.108 3.434 -2.335) 4.155 3.539 ( 1.558 0.521 0.173) 1.652 3.574 ( -3.880 -3.844 3.642) 6.564 3.595 ( 1.060 4.091 -3.460) 5.462 3.652 ( -3.622 -0.427 -2.676) 4.524 3.854 ( -3.810 2.879 7.794) 9.141 3.869 ( -2.213 1.055 5.875) 6.366 3.913 ( 4.675 -0.959 5.485) 7.270 3.990 ( -2.206 -0.868 -0.982) 2.566 4.040 ( -2.854 -2.833 -3.762) 5.506 4.052 ( -6.406 -0.284 -3.838) 7.473 4.093 ( -2.810 -2.968 0.893) 4.183 4.137 ( -0.341 3.029 -1.352) 3.334 4.177 ( 0.349 2.357 -0.680) 2.478 4.193 ( -3.176 2.524 -2.454) 4.741 4.238 ( -2.629 -1.637 1.630) 3.500 4.261 ( 1.794 -5.479 2.318) 6.214 4.289 ( -0.321 -4.793 -2.564) 5.445 4.303 ( 0.107 -0.312 -2.951) 2.969 4.366 ( -2.070 -0.078 -0.824) 2.229 4.418 ( -1.430 -2.864 -3.851) 5.008 4.579 ( 1.552 2.309 1.528) 3.174 4.618 ( 3.865 -0.643 1.696) 4.269 4.641 ( 3.440 1.846 -2.008) 4.390 4.669 ( -0.414 -0.768 -0.417) 0.967 4.828 ( -0.284 2.053 0.722) 2.194 4.849 ( -0.463 -0.823 -0.355) 1.008 4.983 ( -2.000 4.763 1.487) 5.376 4.994 ( -4.193 2.577 -0.372) 4.936 5.043 ( -2.858 0.448 2.414) 3.768 5.082 ( -4.552 -0.223 -0.524) 4.587 5.133 ( 1.564 1.747 3.068) 3.861 5.159 ( 0.758 -0.237 0.637) 1.018 5.345 ( 4.554 2.678 0.257) 5.289 5.378 ( 5.709 0.622 -1.979) 6.074 5.442 ( 10.190 4.537 -2.331) 11.396 5.476 ( 10.291 4.838 -4.652) 12.286 5.615 ( 7.207 -9.034 -0.524) 11.568 5.646 ( 9.061 -7.736 -3.697) 12.475 5.989 ( 1.814 4.360 3.654) 5.971 6.058 ( -0.704 2.673 -2.477) 3.712 6.082 ( 2.387 -2.691 3.115) 4.759 6.135 ( -1.147 -1.037 -2.006) 2.533 6.259 ( -5.058 3.765 1.150) 6.409 6.300 ( -4.269 -0.026 -2.658) 5.029 6.362 ( -3.929 -2.584 4.211) 6.313 6.412 ( -4.079 -5.921 -0.538) 7.210 6.549 ( -2.206 1.841 2.879) 4.068 6.580 ( -1.697 -0.648 1.076) 2.111 6.643 ( -3.653 0.661 -2.231) 4.331 6.659 ( -3.638 -0.248 -3.104) 4.789 6.770 ( 0.055 1.168 1.837) 2.177 6.798 ( 0.514 -0.878 -1.075) 1.480 6.986 ( 1.231 -0.152 2.272) 2.589 7.011 ( 1.465 -1.901 -0.411) 2.435 7.177 ( 0.672 2.656 0.389) 2.767 7.183 ( 1.034 2.192 -0.093) 2.425 7.275 ( 1.265 -1.374 1.301) 2.276 7.291 ( 1.163 -2.453 -0.186) 2.721 8.003 ( -0.186 1.337 3.449) 3.704 8.037 ( -0.245 -1.577 1.047) 1.908 8.126 ( 0.036 1.600 -0.627) 1.719 8.160 ( -0.066 -1.322 -3.005) 3.283 8.340 ( -1.490 2.121 1.682) 3.090 8.370 ( -2.134 -0.330 -1.449) 2.600 8.592 ( -5.343 0.802 4.515) 7.041 8.638 ( -6.686 -3.016 -0.036) 7.335 10.097 ( -2.722 1.865 6.113) 6.947 10.144 ( -3.135 -2.146 5.600) 6.767 10.223 ( -4.547 2.173 -5.053) 7.137 10.272 ( -5.192 -2.030 -5.702) 7.974 10.566 ( -3.207 1.374 3.442) 4.902 10.595 ( -2.813 -1.080 2.679) 4.032 10.639 ( -3.730 1.034 -3.884) 5.484 10.661 ( -3.426 -0.800 -3.759) 5.148 11.210 ( 17.260 1.260 0.113) 17.306 11.226 ( 17.923 -0.107 -1.473) 17.984 11.317 ( 16.784 -0.101 -0.147) 16.785 11.324 ( 16.811 -0.635 -0.937) 16.850 11.433 ( 4.861 1.019 0.632) 5.007 11.452 ( 4.628 -0.511 -1.226) 4.815 11.657 ( 1.482 0.937 0.361) 1.790 11.679 ( 1.538 -1.023 -1.986) 2.712 12.003 ( 9.998 4.117 2.117) 11.018 12.059 ( 10.754 0.820 -3.715) 11.407 12.171 ( 1.677 -0.714 2.105) 2.784 12.186 ( -0.221 -2.864 0.917) 3.015 12.265 ( 0.878 -0.291 -2.690) 2.845 12.277 ( -1.532 -1.468 -3.313) 3.934 12.462 ( 4.639 8.305 5.190) 10.837 12.576 ( 2.250 9.063 -4.787) 10.494 12.668 ( 2.744 -7.781 6.205) 10.324 12.732 ( 1.240 -4.943 1.440) 5.296 12.880 ( 2.054 3.286 3.939) 5.525 12.936 ( 1.896 -0.910 -0.683) 2.212 13.037 ( -0.354 1.299 1.854) 2.292 13.115 ( -0.446 -4.788 -6.713) 8.257 13.302 ( 12.792 3.379 3.020) 13.571 13.373 ( 13.289 -1.538 -2.678) 13.643 13.530 ( 2.212 -4.203 1.076) 4.870 13.541 ( 3.616 -4.437 0.505) 5.746 13.808 ( -1.361 2.353 1.980) 3.363 13.833 ( -1.124 0.882 -0.496) 1.513 13.959 ( -0.727 -1.116 0.977) 1.652 13.985 ( 0.174 -1.877 -1.389) 2.342 14.212 ( 1.486 1.863 -0.426) 2.421 14.330 ( -3.215 -9.290 -12.397) 15.822 15.727 ( -28.567 12.676 8.911) 32.499 15.791 ( -34.625 9.411 3.809) 36.082 16.555 ( -3.179 0.322 3.537) 4.767 16.686 ( -4.065 -8.930 -9.484) 13.646 17.681 ( -10.582 2.029 3.039) 11.195 17.734 ( -10.599 -2.396 -2.265) 11.100 18.205 ( -6.128 2.768 1.418) 6.872 18.269 ( -6.533 -2.615 -5.222) 8.763 19.525 ( -1.272 1.563 3.875) 4.368 19.562 ( -1.351 -1.442 1.351) 2.394 19.690 ( -3.943 2.256 1.880) 4.916 19.753 ( -3.505 -2.951 -3.171) 5.572 20.415 ( 20.816 5.402 9.191) 23.387 20.535 ( 19.610 -4.029 -2.063) 20.126 20.744 ( 2.684 2.997 3.266) 5.182 20.805 ( 5.937 -0.559 -0.529) 5.986 20.843 ( 16.021 1.805 -2.092) 16.258 20.923 ( 23.196 -3.953 -6.618) 24.443 21.206 ( -1.288 -4.401 -1.302) 4.767 21.235 ( -3.392 -7.275 -4.121) 9.023 21.991 ( -0.771 10.490 9.334) 14.062 22.090 ( -2.415 4.844 0.290) 5.420 22.500 ( -5.169 0.752 -1.373) 5.401 22.609 ( -6.735 -6.204 -11.355) 14.588 23.596 ( -0.516 2.297 3.857) 4.518 23.646 ( -0.557 -1.052 -0.277) 1.222 23.756 ( -2.337 -1.166 0.091) 2.613 23.796 ( -1.996 -3.569 -2.962) 5.049 23.972 ( -4.184 1.568 4.394) 6.267 23.987 ( -3.580 0.552 3.409) 4.974 24.079 ( -2.167 0.249 -0.187) 2.189 24.101 ( -1.115 -1.407 -1.814) 2.552 ======================= Grid point 65 (28/30) ======================= q-point: ( 0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 19.949 -4.042 8.290) 21.977 1.153 ( 16.484 -14.757 -4.562) 22.590 1.395 ( 6.257 6.237 13.271) 15.943 1.507 ( 4.625 -3.355 3.111) 6.506 1.714 ( 15.055 2.645 2.798) 15.540 1.796 ( 13.412 -4.848 -4.900) 15.080 1.938 ( 7.794 0.839 1.184) 7.928 1.971 ( 8.627 -2.532 -2.248) 9.268 2.135 ( 4.731 11.502 2.818) 12.752 2.259 ( 2.283 2.452 -7.067) 7.821 2.283 ( 3.368 4.271 -3.467) 6.450 2.307 ( 2.070 -1.082 -5.976) 6.416 2.548 ( 2.140 0.640 4.751) 5.250 2.599 ( 1.122 -2.484 1.665) 3.194 2.682 ( 1.905 6.340 -0.653) 6.652 2.729 ( -3.195 1.630 -4.406) 5.682 2.841 ( 4.562 0.358 4.702) 6.561 2.910 ( 7.628 -4.248 -1.447) 8.850 2.931 ( -2.154 1.553 2.969) 3.983 2.949 ( 1.609 1.401 0.923) 2.324 2.979 ( 1.003 0.601 1.074) 1.588 3.035 ( -1.369 -5.747 -2.757) 6.519 3.206 ( -1.782 -1.690 0.651) 2.540 3.227 ( -1.537 -0.256 -0.465) 1.626 3.264 ( 2.558 0.364 -1.825) 3.163 3.299 ( -1.201 -0.558 -3.995) 4.209 3.333 ( -2.218 -2.669 0.376) 3.491 3.367 ( -2.684 -3.740 -3.059) 5.527 3.472 ( -1.378 1.576 0.506) 2.154 3.481 ( -1.955 0.925 -0.793) 2.304 3.569 ( 1.046 1.672 2.665) 3.315 3.590 ( 0.287 0.107 0.955) 1.003 3.656 ( 6.456 3.327 -0.696) 7.296 3.670 ( 4.467 3.253 -1.281) 5.672 3.717 ( -4.827 3.020 4.859) 7.485 3.781 ( -5.421 -0.173 2.884) 6.142 3.817 ( -8.111 0.075 -0.508) 8.127 3.852 ( -7.338 -4.596 -2.356) 8.973 3.976 ( -0.994 2.417 0.792) 2.731 4.030 ( -2.016 4.609 -3.646) 6.212 4.060 ( -2.778 -4.186 0.124) 5.026 4.096 ( -1.140 -1.855 -2.927) 3.648 4.171 ( 0.346 -0.129 0.447) 0.580 4.182 ( -2.882 -0.189 -0.163) 2.893 4.238 ( 2.878 1.449 4.966) 5.920 4.285 ( 0.540 -0.560 2.320) 2.447 4.300 ( -0.264 -1.088 0.546) 1.246 4.347 ( -0.079 -0.700 -4.630) 4.683 4.371 ( 5.134 -5.187 0.749) 7.337 4.404 ( 1.844 -7.918 -1.589) 8.284 4.619 ( 0.308 0.411 1.627) 1.706 4.628 ( 0.871 -0.268 3.325) 3.448 4.690 ( 2.368 2.485 3.693) 5.042 4.738 ( 2.598 -1.066 -4.234) 5.081 4.785 ( -2.572 1.555 -0.432) 3.037 4.806 ( -2.273 -0.793 0.940) 2.584 4.889 ( -4.907 1.832 -2.275) 5.710 4.902 ( -4.465 -0.221 -3.266) 5.536 5.011 ( -0.458 2.276 1.485) 2.756 5.046 ( -0.268 -0.391 -0.943) 1.056 5.175 ( 2.399 2.534 3.753) 5.125 5.203 ( 3.441 -0.297 1.207) 3.659 5.418 ( 1.505 3.053 -1.299) 3.643 5.445 ( 0.207 0.314 -3.437) 3.458 5.659 ( 10.411 4.011 0.007) 11.157 5.706 ( 10.558 4.990 -4.065) 12.366 5.789 ( 7.955 -7.129 1.595) 10.800 5.840 ( 7.434 -6.402 -3.262) 10.339 6.040 ( 2.236 2.515 1.998) 3.913 6.057 ( 0.843 1.429 1.031) 1.953 6.081 ( -4.486 2.522 2.163) 5.582 6.114 ( -4.820 1.064 -1.584) 5.185 6.152 ( -3.430 -0.402 2.721) 4.396 6.203 ( 1.894 -2.254 -1.567) 3.335 6.271 ( -4.920 -1.507 2.030) 5.532 6.331 ( -1.979 -5.183 -2.989) 6.301 6.495 ( -2.591 3.757 3.354) 5.664 6.542 ( -1.912 0.567 0.004) 1.994 6.591 ( -1.707 -0.038 -1.995) 2.626 6.604 ( -0.641 -0.357 -2.201) 2.320 6.770 ( -0.051 1.674 1.651) 2.352 6.807 ( 0.378 -1.052 -2.104) 2.383 7.008 ( 0.795 -0.692 1.880) 2.155 7.037 ( 0.800 -2.580 -1.103) 2.917 7.191 ( 0.516 4.416 1.201) 4.605 7.207 ( 0.995 3.472 -0.356) 3.629 7.306 ( 1.167 -2.437 1.308) 3.002 7.318 ( 1.266 -2.931 0.141) 3.196 8.000 ( -0.108 1.295 2.870) 3.151 8.033 ( -0.129 -1.444 0.247) 1.470 8.123 ( -0.447 0.991 -0.256) 1.116 8.155 ( -0.539 -1.710 -2.754) 3.286 8.302 ( -1.870 2.041 1.250) 3.037 8.316 ( -2.746 1.061 -0.139) 2.947 8.476 ( -5.285 -0.258 3.035) 6.100 8.501 ( -6.171 -2.052 0.676) 6.538 10.027 ( -3.638 1.582 4.410) 5.932 10.065 ( -3.971 -1.648 4.039) 5.899 10.113 ( -5.419 1.582 -3.624) 6.708 10.149 ( -5.855 -1.457 -3.713) 7.084 10.485 ( -4.052 1.389 2.737) 5.083 10.519 ( -4.029 -1.444 1.791) 4.639 10.546 ( -4.757 1.042 -3.391) 5.934 10.571 ( -4.769 -1.043 -3.287) 5.885 11.556 ( 6.929 0.875 0.905) 7.042 11.566 ( 10.524 1.469 1.028) 10.675 11.574 ( 7.033 0.717 -0.421) 7.082 11.609 ( 11.437 -0.601 -2.144) 11.652 11.684 ( 16.362 0.319 -0.247) 16.367 11.694 ( 17.312 -0.582 -0.989) 17.350 11.744 ( 10.022 0.999 -0.094) 10.072 11.755 ( 9.666 -0.036 -1.143) 9.733 12.092 ( 0.431 0.019 3.064) 3.094 12.123 ( -1.120 -2.227 1.262) 2.794 12.205 ( 3.067 0.358 -2.162) 3.770 12.236 ( 0.561 -2.131 -3.866) 4.450 12.325 ( 4.731 -0.132 2.770) 5.484 12.354 ( 4.258 -2.255 -0.362) 4.832 12.571 ( 5.082 7.190 2.906) 9.272 12.636 ( 3.310 8.122 -2.207) 9.044 12.727 ( 3.380 -5.804 6.002) 9.008 12.790 ( 3.414 -6.252 1.242) 7.231 12.939 ( 2.800 5.265 1.107) 6.065 12.984 ( 2.734 1.800 -2.186) 3.937 13.046 ( 1.042 -0.658 0.256) 1.259 13.104 ( -0.835 -5.161 -6.042) 7.990 13.504 ( 3.869 2.601 1.554) 4.914 13.538 ( 1.842 0.291 -1.451) 2.363 13.647 ( 1.450 -2.078 1.950) 3.198 13.682 ( 2.389 -4.629 -1.625) 5.457 13.908 ( 5.082 2.462 0.357) 5.658 13.921 ( 5.566 2.157 -0.946) 6.044 14.000 ( 17.377 -4.152 1.791) 17.956 14.008 ( 14.106 -3.763 0.986) 14.632 14.286 ( 6.144 3.699 -0.280) 7.177 14.319 ( 3.342 0.180 -3.766) 5.038 15.110 ( -25.769 4.532 4.489) 26.547 15.133 ( -23.159 2.063 1.770) 23.318 16.471 ( -4.488 2.571 2.290) 5.657 16.573 ( -5.905 -5.654 -8.222) 11.595 17.355 ( -20.462 2.200 2.928) 20.787 17.408 ( -20.468 -2.169 -2.475) 20.730 17.984 ( -14.867 2.066 2.144) 15.163 18.039 ( -15.450 -2.467 -3.578) 16.050 19.541 ( 2.554 1.354 3.577) 4.599 19.576 ( 2.460 -1.561 1.748) 3.397 19.673 ( 1.264 2.317 0.647) 2.717 19.730 ( 0.661 -2.502 -3.341) 4.227 20.721 ( 0.952 3.735 5.293) 6.548 20.776 ( 1.068 0.997 -0.381) 1.510 20.853 ( 13.484 2.572 5.011) 14.613 20.959 ( 12.337 -4.104 -4.816) 13.865 21.079 ( 2.277 1.193 1.153) 2.817 21.144 ( -3.744 -4.461 -3.849) 6.981 21.308 ( 10.232 -0.818 -1.982) 10.455 21.367 ( 13.987 -5.458 -7.729) 16.887 22.002 ( 2.407 9.032 5.936) 11.073 22.066 ( 1.915 6.448 -0.252) 6.731 22.380 ( -5.396 -2.276 0.732) 5.902 22.462 ( -5.193 -6.667 -7.146) 11.068 23.587 ( -0.274 2.208 2.931) 3.680 23.631 ( -0.811 -0.235 -0.939) 1.263 23.703 ( -2.342 -1.757 1.127) 3.137 23.745 ( -2.596 -3.873 -2.462) 5.273 23.890 ( -3.188 3.017 4.160) 6.048 23.920 ( -2.894 0.872 2.013) 3.631 24.019 ( -3.402 0.673 0.340) 3.484 24.055 ( -3.099 -1.925 -2.441) 4.390 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 18.048 0.268 7.769) 19.651 1.525 ( 16.390 -6.194 0.779) 17.539 1.565 ( 11.202 1.522 8.426) 14.100 1.649 ( 9.215 -4.694 1.559) 10.459 1.887 ( 5.543 3.608 -2.578) 7.099 1.943 ( 5.505 -1.172 -6.994) 8.978 2.127 ( -0.891 3.772 3.358) 5.128 2.193 ( 4.077 4.181 0.642) 5.875 2.197 ( 3.219 0.122 3.772) 4.961 2.299 ( 8.577 1.232 1.484) 8.791 2.365 ( 2.675 -1.352 -8.568) 9.077 2.414 ( 7.076 -2.355 -6.840) 10.120 2.570 ( -1.855 -0.921 0.793) 2.218 2.596 ( -2.167 -2.164 -0.784) 3.161 2.643 ( -0.746 -0.488 1.248) 1.534 2.686 ( -1.663 -2.839 -2.551) 4.163 2.864 ( 0.851 2.931 3.739) 4.826 2.904 ( -1.024 0.144 -0.860) 1.345 2.950 ( 1.649 2.446 1.293) 3.220 2.968 ( 0.544 2.422 -1.090) 2.711 3.044 ( 2.081 -1.859 4.268) 5.099 3.103 ( 1.067 -3.289 0.043) 3.458 3.182 ( -0.304 -0.013 1.463) 1.494 3.232 ( -0.347 -0.758 -1.063) 1.351 3.279 ( -0.167 2.315 -1.126) 2.579 3.308 ( -0.244 -0.235 -0.597) 0.686 3.312 ( 1.620 -0.076 -2.900) 3.323 3.337 ( 0.258 -1.412 -3.830) 4.090 3.406 ( -4.231 3.152 1.412) 5.462 3.423 ( -2.143 1.411 -0.591) 2.633 3.473 ( -6.728 -0.144 1.108) 6.821 3.490 ( -5.349 -1.460 -1.119) 5.656 3.652 ( -0.978 2.234 1.496) 2.861 3.691 ( -1.823 0.939 -1.194) 2.373 3.720 ( 1.456 4.927 1.360) 5.314 3.750 ( 2.185 5.371 -0.900) 5.868 3.859 ( 4.625 -2.697 0.966) 5.440 3.860 ( 5.237 -1.558 0.275) 5.471 3.962 ( 0.601 1.278 1.204) 1.856 3.999 ( -2.609 -0.726 3.016) 4.053 4.022 ( 1.384 -0.303 -2.818) 3.154 4.069 ( -2.439 -3.030 -3.140) 4.999 4.112 ( -3.839 -1.835 3.548) 5.540 4.148 ( -2.054 -2.780 0.603) 3.509 4.238 ( -0.875 1.911 1.760) 2.742 4.268 ( -2.970 0.381 -0.831) 3.107 4.272 ( 0.684 0.151 -1.178) 1.371 4.304 ( -2.823 -2.194 -3.549) 5.037 4.490 ( 7.470 -3.118 5.368) 9.713 4.546 ( 4.918 -4.099 0.221) 6.405 4.594 ( -0.841 0.285 0.307) 0.940 4.613 ( -5.322 0.636 -0.962) 5.446 4.663 ( -4.550 2.011 0.471) 4.997 4.706 ( -1.854 -1.049 -2.418) 3.222 4.746 ( -1.209 3.779 1.731) 4.329 4.808 ( -0.052 -0.263 -2.862) 2.874 4.851 ( 3.548 -0.216 1.266) 3.773 4.898 ( 2.494 -3.633 -1.101) 4.542 5.000 ( -1.438 1.529 0.614) 2.187 5.031 ( -1.663 -1.263 -1.113) 2.366 5.255 ( 5.789 2.621 5.069) 8.129 5.307 ( 6.381 -2.328 0.032) 6.793 5.412 ( -1.929 0.700 -2.340) 3.113 5.421 ( 0.044 0.439 -3.436) 3.464 5.789 ( -4.187 1.138 1.535) 4.602 5.816 ( -4.670 -1.152 -0.638) 4.853 5.886 ( 5.456 2.481 2.210) 6.388 5.916 ( 1.095 0.229 1.265) 1.689 5.977 ( -0.821 4.036 2.109) 4.628 6.014 ( -4.224 3.567 -0.423) 5.545 6.075 ( 3.509 -2.908 1.271) 4.731 6.093 ( 2.215 -4.441 -0.845) 5.034 6.178 ( 3.017 0.507 4.340) 5.310 6.213 ( 1.003 -2.129 2.017) 3.100 6.276 ( 1.880 0.706 -4.533) 4.958 6.320 ( 0.119 -2.959 -6.708) 7.332 6.459 ( -0.418 4.515 1.546) 4.790 6.510 ( -0.542 3.446 -2.670) 4.393 6.583 ( 0.695 -3.700 1.384) 4.011 6.624 ( 1.846 -4.068 -2.138) 4.952 6.782 ( 1.833 3.244 1.542) 4.032 6.820 ( 1.300 0.327 -2.476) 2.815 7.015 ( -0.313 -0.946 1.435) 1.748 7.040 ( -0.584 -2.576 -1.214) 2.907 7.194 ( -0.257 4.508 1.371) 4.719 7.213 ( -0.457 3.784 -0.532) 3.848 7.310 ( -0.775 -2.467 1.608) 3.045 7.328 ( -0.678 -2.976 -0.250) 3.063 8.001 ( 0.293 1.436 2.256) 2.690 8.034 ( 0.203 -0.881 -0.587) 1.078 8.104 ( -1.320 -0.414 0.170) 1.394 8.132 ( -1.654 -2.351 -2.093) 3.556 8.265 ( -1.601 2.837 0.975) 3.400 8.273 ( -1.214 2.513 0.322) 2.809 8.378 ( -4.072 -1.272 1.905) 4.672 8.390 ( -4.186 -1.944 0.835) 4.690 9.961 ( -2.401 1.419 2.575) 3.796 9.995 ( -2.469 -1.417 2.275) 3.644 10.012 ( -3.958 1.286 -2.500) 4.855 10.045 ( -3.962 -1.338 -2.508) 4.876 10.412 ( -2.643 1.159 1.810) 3.406 10.442 ( -3.109 -1.215 0.879) 3.452 10.455 ( -3.764 0.832 -2.304) 4.491 10.476 ( -4.072 -0.887 -2.348) 4.784 11.637 ( 1.176 4.363 1.554) 4.779 11.666 ( 1.196 3.087 -1.442) 3.611 11.728 ( 6.760 -2.350 -0.163) 7.159 11.733 ( 6.657 -1.673 -0.678) 6.898 11.922 ( 5.696 0.430 3.282) 6.588 11.976 ( 5.644 -2.588 -1.923) 6.500 11.992 ( 9.376 0.659 0.996) 9.452 12.017 ( 10.101 -0.909 -1.350) 10.232 12.158 ( 8.019 -1.820 0.664) 8.250 12.170 ( 6.974 -3.001 -0.235) 7.596 12.252 ( 1.564 -0.319 -1.953) 2.522 12.257 ( 2.092 -0.736 -2.299) 3.194 12.379 ( 0.683 0.801 2.332) 2.559 12.397 ( 1.000 -1.020 0.605) 1.551 12.662 ( 3.345 5.914 1.359) 6.929 12.683 ( 0.316 8.165 -0.637) 8.196 12.804 ( 4.176 -4.679 5.920) 8.624 12.840 ( 1.598 -4.449 3.864) 6.106 12.978 ( 1.096 3.511 1.345) 3.916 13.015 ( 0.160 2.095 -2.170) 3.021 13.055 ( -0.548 -0.732 -3.764) 3.873 13.079 ( -1.500 -3.976 -4.719) 6.351 13.549 ( 0.755 0.647 0.714) 1.225 13.564 ( 0.506 -0.570 -0.779) 1.090 13.631 ( -1.231 0.489 2.686) 2.995 13.655 ( -2.350 -1.712 0.339) 2.927 13.795 ( -12.974 0.338 -0.139) 12.979 13.799 ( -13.398 -0.027 -0.563) 13.410 14.536 ( 23.346 0.492 1.092) 23.376 14.541 ( 23.641 0.379 0.639) 23.652 14.575 ( 24.930 1.359 0.041) 24.967 14.585 ( 25.056 0.371 -0.893) 25.075 14.835 ( 0.068 2.017 2.998) 3.614 14.898 ( -0.003 -3.007 -3.477) 4.597 16.409 ( -0.108 2.382 1.965) 3.090 16.483 ( -1.705 -3.780 -5.739) 7.080 16.837 ( -28.152 2.738 2.932) 28.437 16.888 ( -28.551 -1.478 -2.320) 28.683 17.596 ( -21.811 1.145 2.248) 21.957 17.637 ( -22.541 -2.167 -2.009) 22.734 19.612 ( 3.717 1.506 2.976) 4.994 19.644 ( 3.513 -0.875 0.826) 3.713 19.710 ( 1.789 1.098 1.588) 2.632 19.753 ( 1.052 -2.210 -1.598) 2.923 20.722 ( 0.282 3.778 2.441) 4.507 20.776 ( -0.116 0.573 -2.527) 2.594 20.936 ( -3.002 -1.911 1.565) 3.888 20.987 ( -3.923 -4.818 -3.162) 6.971 21.160 ( 5.059 5.046 3.492) 7.953 21.245 ( 5.869 -0.479 -3.125) 6.666 21.400 ( -0.589 0.491 -0.053) 0.769 21.496 ( -0.380 -6.182 -8.455) 10.481 22.105 ( 7.353 8.526 5.665) 12.604 22.186 ( 7.428 7.332 -2.369) 10.703 22.329 ( 1.543 -4.289 4.757) 6.588 22.432 ( 1.316 -7.357 -5.432) 9.239 23.586 ( 0.175 1.870 1.645) 2.496 23.615 ( -0.720 0.848 -1.185) 1.625 23.663 ( -1.625 -2.123 1.253) 2.952 23.692 ( -2.429 -3.136 -1.628) 4.288 23.839 ( -1.639 3.027 2.753) 4.408 23.869 ( -1.840 1.260 0.154) 2.235 23.945 ( -3.482 0.048 1.203) 3.684 23.981 ( -3.710 -2.197 -2.049) 4.774 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 10.128 1.959 7.825) 12.947 1.776 ( 7.507 -3.847 3.308) 9.061 1.815 ( 8.965 1.252 9.295) 12.974 1.862 ( 3.440 -2.792 7.797) 8.968 1.994 ( 4.083 1.819 -5.970) 7.458 2.002 ( 0.531 1.551 -7.756) 7.927 2.061 ( -1.648 1.438 -5.352) 5.782 2.104 ( -5.306 -2.350 -6.486) 8.703 2.314 ( 4.743 4.168 2.404) 6.756 2.379 ( -0.992 2.621 -4.243) 5.085 2.436 ( 3.119 -3.585 4.376) 6.460 2.504 ( -1.719 -5.560 -1.158) 5.934 2.533 ( 0.451 2.433 -0.742) 2.584 2.551 ( -0.625 2.160 -1.102) 2.504 2.648 ( 0.543 -6.797 0.601) 6.846 2.668 ( -1.041 -6.805 -1.403) 7.026 2.903 ( 3.003 2.132 0.785) 3.765 2.926 ( 3.238 -0.024 -1.737) 3.675 2.976 ( -0.568 3.125 0.135) 3.179 2.996 ( 0.907 1.471 -1.778) 2.479 3.034 ( -3.918 2.944 2.672) 5.582 3.061 ( -1.169 1.395 0.448) 1.874 3.116 ( -4.628 1.915 -0.386) 5.023 3.131 ( -3.316 1.612 -1.630) 4.031 3.273 ( 0.293 1.867 2.710) 3.304 3.306 ( -0.539 -0.010 -0.196) 0.574 3.322 ( -1.087 -0.499 0.792) 1.434 3.325 ( -2.534 -0.487 1.220) 2.854 3.388 ( 0.645 3.340 -0.897) 3.518 3.409 ( -0.093 1.862 -1.976) 2.716 3.447 ( 3.554 -1.478 0.719) 3.916 3.475 ( 1.363 -3.153 -2.062) 4.006 3.697 ( 3.707 1.612 0.136) 4.044 3.707 ( 3.387 1.736 -0.884) 3.907 3.777 ( 4.783 3.077 2.597) 6.252 3.818 ( 5.118 1.641 -0.580) 5.406 3.866 ( -2.341 -0.015 2.898) 3.725 3.905 ( -2.606 -1.883 -1.357) 3.490 3.921 ( -4.607 -4.111 3.419) 7.058 3.953 ( -7.605 -4.860 1.385) 9.131 3.990 ( -0.409 -3.747 -0.351) 3.785 4.004 ( -1.888 -0.176 -0.592) 1.986 4.048 ( -1.316 -4.332 2.151) 5.012 4.082 ( -2.745 -4.304 -1.038) 5.209 4.283 ( 5.041 2.608 0.343) 5.686 4.296 ( 4.006 2.847 -0.102) 4.916 4.330 ( 7.014 3.042 -1.371) 7.767 4.355 ( 5.210 2.844 -2.388) 6.398 4.449 ( -7.271 1.743 0.524) 7.495 4.472 ( -4.564 1.363 -2.713) 5.481 4.517 ( -7.954 4.016 -1.996) 9.131 4.540 ( -6.443 2.272 -4.224) 8.032 4.710 ( 6.983 -1.371 1.972) 7.384 4.726 ( 6.215 -2.955 0.576) 6.906 4.784 ( 0.627 1.134 2.338) 2.674 4.832 ( -0.730 -1.481 -0.851) 1.858 4.896 ( 0.393 -1.023 2.297) 2.545 4.927 ( 1.262 -2.450 1.530) 3.152 4.954 ( -2.155 -1.757 -1.649) 3.233 4.965 ( -3.853 -2.105 -1.465) 4.628 5.392 ( 4.209 0.584 3.435) 5.463 5.408 ( 4.218 0.621 1.962) 4.693 5.422 ( 2.257 -0.178 -1.252) 2.587 5.466 ( 1.883 -2.644 -2.129) 3.883 5.672 ( -2.235 3.083 2.393) 4.497 5.705 ( -2.623 1.066 -0.952) 2.987 5.804 ( -7.037 -0.125 3.975) 8.082 5.830 ( -6.626 -1.445 1.025) 6.859 6.037 ( 3.805 3.614 3.444) 6.277 6.064 ( 2.261 3.669 1.846) 4.689 6.124 ( 1.091 -3.159 3.036) 4.515 6.137 ( 0.574 -2.804 1.280) 3.135 6.217 ( 1.703 1.341 0.900) 2.347 6.257 ( 0.833 0.235 -2.769) 2.901 6.274 ( 0.311 -1.432 -2.870) 3.222 6.316 ( -1.150 -2.760 -5.093) 5.906 6.486 ( 2.311 4.989 -0.943) 5.578 6.515 ( 0.046 5.135 -3.388) 6.152 6.600 ( 1.287 -4.791 0.412) 4.978 6.636 ( -1.225 -5.385 -2.822) 6.202 6.857 ( 4.394 3.384 0.620) 5.581 6.877 ( 3.328 2.745 -1.399) 4.535 6.990 ( -1.778 -2.678 0.702) 3.290 7.007 ( -2.523 -3.270 -1.123) 4.280 7.192 ( 0.342 4.240 0.759) 4.321 7.201 ( -0.405 4.155 -0.159) 4.178 7.284 ( -1.070 -2.675 1.306) 3.163 7.295 ( -1.878 -2.869 0.151) 3.432 8.014 ( 1.013 1.737 1.287) 2.388 8.035 ( -0.481 1.275 -0.804) 1.582 8.080 ( -0.369 -2.852 0.946) 3.028 8.096 ( -1.534 -2.922 -0.765) 3.388 8.247 ( -0.150 3.571 0.737) 3.650 8.255 ( -0.697 3.509 -0.049) 3.578 8.319 ( -1.173 -2.119 1.245) 2.723 8.328 ( -1.774 -2.228 0.421) 2.879 9.932 ( -0.239 1.408 0.731) 1.605 9.950 ( -1.914 1.376 -1.105) 2.604 9.968 ( -0.227 -1.493 0.623) 1.634 9.985 ( -1.818 -1.456 -1.117) 2.583 10.380 ( -0.427 0.801 0.441) 1.009 10.394 ( -1.743 0.627 -1.061) 2.135 10.400 ( -0.905 -0.731 -0.027) 1.163 10.411 ( -1.930 -0.653 -1.191) 2.360 11.654 ( 0.710 5.927 0.891) 6.035 11.668 ( -0.490 5.616 -0.520) 5.661 11.828 ( 2.363 -8.159 0.383) 8.503 11.835 ( 1.943 -7.952 -0.435) 8.198 12.011 ( 4.023 0.860 2.004) 4.576 12.038 ( 2.478 -0.299 -0.580) 2.563 12.091 ( 1.525 -1.671 1.681) 2.818 12.126 ( 0.151 -3.623 -1.792) 4.044 12.256 ( 3.021 3.576 2.413) 5.266 12.294 ( 1.295 1.028 -0.554) 1.744 12.311 ( 2.425 0.071 -0.671) 2.517 12.326 ( 1.477 -0.418 -1.870) 2.419 12.394 ( 2.455 6.847 0.008) 7.274 12.428 ( 1.020 5.250 -2.734) 6.007 12.638 ( -2.260 -4.632 1.374) 5.334 12.662 ( -2.947 -5.006 -0.768) 5.860 12.917 ( 4.660 2.698 7.148) 8.949 12.952 ( 6.476 2.091 6.330) 9.294 12.982 ( 1.357 0.546 4.294) 4.536 13.042 ( -1.446 -2.325 -1.498) 3.121 13.070 ( 4.828 0.815 -5.754) 7.555 13.088 ( 8.951 -0.560 -5.746) 10.651 13.375 ( -18.392 0.921 0.819) 18.433 13.397 ( -16.289 -0.882 -1.380) 16.371 13.601 ( 0.373 0.486 0.903) 1.092 13.613 ( -0.115 -0.207 0.253) 0.347 13.623 ( -1.130 0.311 0.249) 1.198 13.638 ( -1.587 -0.625 -0.786) 1.878 14.842 ( 6.553 2.664 0.921) 7.134 14.849 ( 4.710 3.346 0.268) 5.784 14.919 ( 8.006 -4.119 0.252) 9.007 14.948 ( 4.119 -4.751 -2.601) 6.805 15.292 ( 36.815 3.289 1.296) 36.984 15.326 ( 37.657 0.421 -2.158) 37.721 16.101 ( -35.123 -0.043 1.868) 35.173 16.142 ( -34.784 -3.576 -2.460) 35.054 16.628 ( 14.274 4.492 2.292) 15.139 16.672 ( 13.338 0.940 -2.433) 13.591 17.105 ( -23.542 -0.546 2.188) 23.650 17.135 ( -23.766 -2.759 -0.996) 23.946 19.679 ( 2.429 1.913 2.103) 3.740 19.698 ( 1.019 1.563 0.309) 1.891 19.739 ( 1.259 -1.751 2.571) 3.355 19.761 ( -0.432 -2.315 0.538) 2.416 20.741 ( 1.475 4.628 -0.599) 4.894 20.771 ( -0.830 4.034 -3.324) 5.293 20.883 ( -0.890 -5.363 -1.171) 5.561 20.909 ( -2.920 -5.707 -3.489) 7.298 21.236 ( 2.690 5.912 2.449) 6.942 21.285 ( -1.401 5.433 -2.612) 6.189 21.379 ( 0.650 -4.878 2.419) 5.484 21.433 ( -3.865 -5.755 -3.274) 7.667 22.256 ( 5.528 6.926 2.467) 9.198 22.295 ( 2.012 7.314 -1.621) 7.757 22.409 ( 4.227 -5.667 3.064) 7.705 22.457 ( -0.059 -5.988 -1.887) 6.278 23.593 ( 0.450 1.419 0.542) 1.585 23.603 ( -0.467 1.379 -0.498) 1.539 23.635 ( -0.719 -1.799 0.584) 2.023 23.646 ( -1.688 -1.951 -0.600) 2.649 23.826 ( 0.380 2.551 1.104) 2.805 23.844 ( -0.914 2.332 -0.775) 2.622 23.891 ( -1.021 -1.809 1.235) 2.417 23.912 ( -2.588 -2.314 -1.009) 3.615 =================== 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 3/22680 10.0 41.163 101.921 122.467 0.000 0.000 -0.000 3/22680 20.0 13.279 23.167 22.988 0.000 0.000 -0.000 3/22680 30.0 7.183 9.686 9.585 0.000 0.000 -0.000 3/22680 40.0 4.839 5.616 5.598 0.000 0.000 -0.000 3/22680 50.0 3.674 3.883 3.883 0.000 0.000 -0.000 3/22680 60.0 2.993 2.968 2.971 0.000 0.000 -0.000 3/22680 70.0 2.548 2.412 2.414 0.000 0.000 -0.000 3/22680 80.0 2.236 2.039 2.040 0.000 0.000 -0.000 3/22680 90.0 2.007 1.771 1.772 0.000 0.000 -0.000 3/22680 100.0 1.834 1.570 1.570 0.000 0.000 -0.000 3/22680 110.0 1.700 1.412 1.413 0.000 0.000 -0.000 3/22680 120.0 1.593 1.286 1.286 0.000 0.000 -0.000 3/22680 130.0 1.506 1.182 1.183 0.000 0.000 -0.000 3/22680 140.0 1.434 1.095 1.096 0.000 0.000 -0.000 3/22680 150.0 1.373 1.021 1.022 0.000 0.000 -0.000 3/22680 160.0 1.321 0.957 0.958 0.000 0.000 -0.000 3/22680 170.0 1.274 0.902 0.903 0.000 0.000 -0.000 3/22680 180.0 1.233 0.853 0.855 0.000 0.000 -0.000 3/22680 190.0 1.195 0.810 0.811 0.000 0.000 -0.000 3/22680 200.0 1.161 0.771 0.773 0.000 0.000 -0.000 3/22680 210.0 1.129 0.736 0.738 0.000 0.000 -0.000 3/22680 220.0 1.099 0.705 0.707 0.000 0.000 -0.000 3/22680 230.0 1.071 0.676 0.678 0.000 0.000 -0.000 3/22680 240.0 1.044 0.649 0.652 0.000 0.000 -0.000 3/22680 250.0 1.018 0.625 0.628 0.000 0.000 -0.000 3/22680 260.0 0.994 0.603 0.605 0.000 0.000 -0.000 3/22680 270.0 0.971 0.582 0.585 0.000 0.000 -0.000 3/22680 280.0 0.949 0.563 0.565 0.000 0.000 -0.000 3/22680 290.0 0.928 0.545 0.548 0.000 0.000 -0.000 3/22680 300.0 0.907 0.528 0.531 0.000 0.000 -0.000 3/22680 310.0 0.887 0.512 0.515 0.000 0.000 -0.000 3/22680 320.0 0.868 0.498 0.500 0.000 0.000 -0.000 3/22680 330.0 0.850 0.484 0.486 0.000 0.000 -0.000 3/22680 340.0 0.832 0.470 0.473 0.000 0.000 -0.000 3/22680 350.0 0.815 0.458 0.461 0.000 0.000 -0.000 3/22680 360.0 0.799 0.446 0.449 0.000 0.000 -0.000 3/22680 370.0 0.783 0.435 0.438 0.000 0.000 -0.000 3/22680 380.0 0.767 0.424 0.427 0.000 0.000 -0.000 3/22680 390.0 0.753 0.414 0.417 0.000 0.000 -0.000 3/22680 400.0 0.738 0.404 0.407 0.000 0.000 -0.000 3/22680 410.0 0.724 0.395 0.398 0.000 0.000 -0.000 3/22680 420.0 0.711 0.386 0.389 0.000 0.000 -0.000 3/22680 430.0 0.698 0.378 0.381 0.000 0.000 -0.000 3/22680 440.0 0.685 0.370 0.373 0.000 0.000 -0.000 3/22680 450.0 0.673 0.362 0.365 0.000 0.000 -0.000 3/22680 460.0 0.661 0.355 0.357 0.000 0.000 -0.000 3/22680 470.0 0.650 0.348 0.350 0.000 0.000 -0.000 3/22680 480.0 0.639 0.341 0.343 0.000 0.000 -0.000 3/22680 490.0 0.628 0.334 0.337 0.000 0.000 -0.000 3/22680 500.0 0.618 0.328 0.331 0.000 0.000 -0.000 3/22680 510.0 0.607 0.322 0.324 0.000 0.000 -0.000 3/22680 520.0 0.598 0.316 0.319 0.000 0.000 -0.000 3/22680 530.0 0.588 0.310 0.313 0.000 0.000 -0.000 3/22680 540.0 0.579 0.305 0.307 0.000 0.000 -0.000 3/22680 550.0 0.570 0.300 0.302 0.000 0.000 -0.000 3/22680 560.0 0.561 0.294 0.297 0.000 0.000 -0.000 3/22680 570.0 0.553 0.290 0.292 0.000 0.000 -0.000 3/22680 580.0 0.544 0.285 0.287 0.000 0.000 -0.000 3/22680 590.0 0.536 0.280 0.283 0.000 0.000 -0.000 3/22680 600.0 0.528 0.276 0.278 0.000 0.000 -0.000 3/22680 610.0 0.521 0.271 0.274 0.000 0.000 -0.000 3/22680 620.0 0.513 0.267 0.269 0.000 0.000 -0.000 3/22680 630.0 0.506 0.263 0.265 0.000 0.000 -0.000 3/22680 640.0 0.499 0.259 0.261 0.000 0.000 -0.000 3/22680 650.0 0.492 0.255 0.258 0.000 0.000 -0.000 3/22680 660.0 0.486 0.252 0.254 0.000 0.000 -0.000 3/22680 670.0 0.479 0.248 0.250 0.000 0.000 -0.000 3/22680 680.0 0.473 0.244 0.247 0.000 0.000 -0.000 3/22680 690.0 0.467 0.241 0.243 0.000 0.000 -0.000 3/22680 700.0 0.461 0.238 0.240 0.000 0.000 -0.000 3/22680 710.0 0.455 0.234 0.237 0.000 0.000 -0.000 3/22680 720.0 0.449 0.231 0.233 0.000 0.000 -0.000 3/22680 730.0 0.443 0.228 0.230 0.000 0.000 -0.000 3/22680 740.0 0.438 0.225 0.227 0.000 0.000 -0.000 3/22680 750.0 0.433 0.222 0.224 0.000 0.000 -0.000 3/22680 760.0 0.427 0.219 0.222 0.000 0.000 -0.000 3/22680 770.0 0.422 0.217 0.219 0.000 0.000 -0.000 3/22680 780.0 0.417 0.214 0.216 0.000 0.000 -0.000 3/22680 790.0 0.412 0.211 0.213 0.000 0.000 -0.000 3/22680 800.0 0.408 0.209 0.211 0.000 0.000 -0.000 3/22680 810.0 0.403 0.206 0.208 0.000 0.000 -0.000 3/22680 820.0 0.398 0.204 0.206 0.000 0.000 -0.000 3/22680 830.0 0.394 0.201 0.203 0.000 0.000 -0.000 3/22680 840.0 0.390 0.199 0.201 0.000 0.000 -0.000 3/22680 850.0 0.385 0.197 0.199 0.000 0.000 -0.000 3/22680 860.0 0.381 0.195 0.196 0.000 0.000 -0.000 3/22680 870.0 0.377 0.192 0.194 0.000 0.000 -0.000 3/22680 880.0 0.373 0.190 0.192 0.000 0.000 -0.000 3/22680 890.0 0.369 0.188 0.190 0.000 0.000 -0.000 3/22680 900.0 0.365 0.186 0.188 0.000 0.000 -0.000 3/22680 910.0 0.362 0.184 0.186 0.000 0.000 -0.000 3/22680 920.0 0.358 0.182 0.184 0.000 0.000 -0.000 3/22680 930.0 0.354 0.180 0.182 0.000 0.000 -0.000 3/22680 940.0 0.351 0.178 0.180 0.000 0.000 -0.000 3/22680 950.0 0.347 0.177 0.178 0.000 0.000 -0.000 3/22680 960.0 0.344 0.175 0.176 0.000 0.000 -0.000 3/22680 970.0 0.340 0.173 0.175 0.000 0.000 -0.000 3/22680 980.0 0.337 0.171 0.173 0.000 0.000 -0.000 3/22680 990.0 0.334 0.170 0.171 0.000 0.000 -0.000 3/22680 1000.0 0.331 0.168 0.170 0.000 0.000 -0.000 3/22680 Thermal conductivity related properties were written into "kappa-m935.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:28:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|