----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:24:18]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.285703196750396 -5.748640010000001 0.000000000000000 b 3.285703196750396 5.748640010000001 0.000000000000000 c -0.078370784567120 0.000000000000000 6.850361051782666 Atomic positions (fractional): *1 F 0.12599338425301 0.93091560888342 0.45404291845045 18.998 2 F 0.06908439111658 0.87400661574699 0.04595708154955 18.998 3 F 0.87400661574699 0.06908439111658 0.54595708154955 18.998 4 F 0.93091560888342 0.12599338425301 0.95404291845045 18.998 *5 F 0.00382952868884 0.61975008736997 0.72761458278848 18.998 6 F 0.38024991263003 0.99617047131116 0.77238541721152 18.998 *7 F 0.72369972070089 0.69877229984096 0.27587089946497 18.998 8 F 0.30122770015904 0.27630027929911 0.22412910053503 18.998 9 F 0.27630027929911 0.30122770015904 0.72412910053503 18.998 10 F 0.69877229984096 0.72369972070089 0.77587089946497 18.998 11 F 0.61975008736997 0.00382952868884 0.22761458278848 18.998 12 F 0.99617047131116 0.38024991263003 0.27238541721152 18.998 *13 K 0.63853134137986 0.32584694828290 0.49776300001798 39.098 14 K 0.67415305171710 0.36146865862014 0.00223699998202 39.098 15 K 0.32584694828290 0.63853134137986 0.99776300001798 39.098 16 K 0.36146865862014 0.67415305171710 0.50223699998202 39.098 *17 Hf 0.95194403151285 0.04805596848715 0.25000000000000 178.490 18 Hf 0.04805596848715 0.95194403151285 0.75000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.571406393500792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.497280020000002 0.000000000000000 c -0.078370784567120 0.000000000000000 6.850361051782666 Atomic positions (fractional): *1 F 0.52845449656822 0.40246111231520 0.45404291845045 18.998 > 1 2 F 0.47154550343178 0.40246111231520 0.04595708154955 18.998 > 2 3 F 0.97154550343178 0.09753888768480 0.54595708154955 18.998 > 3 4 F 0.02845449656821 0.09753888768480 0.95404291845045 18.998 > 4 *5 F 0.31178980802940 0.30796027934056 0.72761458278848 18.998 > 5 6 F 0.68821019197060 0.30796027934056 0.77238541721152 18.998 > 6 *7 F 0.21123601027092 0.48753628957003 0.27587089946497 18.998 > 7 8 F 0.78876398972908 0.48753628957003 0.22412910053503 18.998 > 8 9 F 0.28876398972908 0.01246371042997 0.72412910053503 18.998 > 9 10 F 0.71123601027092 0.01246371042997 0.77587089946497 18.998 > 10 11 F 0.81178980802940 0.19203972065944 0.22761458278848 18.998 > 11 12 F 0.18821019197060 0.19203972065944 0.27238541721152 18.998 > 12 13 F 0.02845449656821 0.90246111231520 0.45404291845045 18.998 > 1 14 F 0.97154550343178 0.90246111231520 0.04595708154955 18.998 > 2 15 F 0.47154550343178 0.59753888768480 0.54595708154955 18.998 > 3 16 F 0.52845449656822 0.59753888768480 0.95404291845045 18.998 > 4 17 F 0.81178980802940 0.80796027934056 0.72761458278848 18.998 > 5 18 F 0.18821019197060 0.80796027934056 0.77238541721152 18.998 > 6 19 F 0.71123601027092 0.98753628957004 0.27587089946497 18.998 > 7 20 F 0.28876398972908 0.98753628957004 0.22412910053503 18.998 > 8 21 F 0.78876398972908 0.51246371042996 0.72412910053503 18.998 > 9 22 F 0.21123601027092 0.51246371042996 0.77587089946497 18.998 > 10 23 F 0.31178980802940 0.69203972065944 0.22761458278848 18.998 > 11 24 F 0.68821019197060 0.69203972065944 0.27238541721152 18.998 > 12 *25 K 0.98218914483138 0.34365780345152 0.49776300001798 39.098 > 13 26 K 0.01781085516862 0.34365780345152 0.00223699998202 39.098 > 14 27 K 0.48218914483138 0.15634219654848 0.99776300001798 39.098 > 15 28 K 0.51781085516862 0.15634219654848 0.50223699998202 39.098 > 16 29 K 0.48218914483138 0.84365780345152 0.49776300001798 39.098 > 13 30 K 0.51781085516862 0.84365780345152 0.00223699998202 39.098 > 14 31 K 0.98218914483138 0.65634219654848 0.99776300001798 39.098 > 15 32 K 0.01781085516862 0.65634219654848 0.50223699998202 39.098 > 16 *33 Hf 0.00000000000000 0.04805596848715 0.25000000000000 178.490 > 17 34 Hf 0.50000000000000 0.45194403151285 0.75000000000000 178.490 > 18 35 Hf 0.50000000000000 0.54805596848715 0.25000000000000 178.490 > 17 36 Hf 0.00000000000000 0.95194403151285 0.75000000000000 178.490 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.142812787001583 0.000000000000000 0.000000000000000 b 0.000000000000000 11.497280020000002 0.000000000000000 c -0.156741569134240 0.000000000000000 13.700722103565331 Atomic positions (fractional): *1 F 0.26422724828411 0.40246111231520 0.22702145922522 18.998 > 1 2 F 0.76422724828411 0.40246111231520 0.22702145922522 18.998 > 1 3 F 0.26422724828411 0.40246111231520 0.72702145922522 18.998 > 1 4 F 0.76422724828411 0.40246111231520 0.72702145922522 18.998 > 1 5 F 0.23577275171589 0.40246111231520 0.02297854077478 18.998 > 2 6 F 0.73577275171589 0.40246111231520 0.02297854077478 18.998 > 2 7 F 0.23577275171589 0.40246111231520 0.52297854077478 18.998 > 2 8 F 0.73577275171589 0.40246111231520 0.52297854077478 18.998 > 2 9 F 0.48577275171589 0.09753888768480 0.27297854077478 18.998 > 3 10 F 0.98577275171589 0.09753888768480 0.27297854077478 18.998 > 3 11 F 0.48577275171589 0.09753888768480 0.77297854077478 18.998 > 3 12 F 0.98577275171589 0.09753888768480 0.77297854077478 18.998 > 3 13 F 0.01422724828411 0.09753888768480 0.47702145922522 18.998 > 4 14 F 0.51422724828411 0.09753888768480 0.47702145922522 18.998 > 4 15 F 0.01422724828411 0.09753888768480 0.97702145922522 18.998 > 4 16 F 0.51422724828411 0.09753888768480 0.97702145922522 18.998 > 4 *17 F 0.15589490401470 0.30796027934056 0.36380729139424 18.998 > 5 18 F 0.65589490401470 0.30796027934056 0.36380729139424 18.998 > 5 19 F 0.15589490401470 0.30796027934056 0.86380729139424 18.998 > 5 20 F 0.65589490401470 0.30796027934056 0.86380729139424 18.998 > 5 21 F 0.34410509598530 0.30796027934056 0.38619270860576 18.998 > 6 22 F 0.84410509598530 0.30796027934056 0.38619270860576 18.998 > 6 23 F 0.34410509598530 0.30796027934056 0.88619270860576 18.998 > 6 24 F 0.84410509598530 0.30796027934056 0.88619270860576 18.998 > 6 *25 F 0.10561800513546 0.48753628957003 0.13793544973249 18.998 > 7 26 F 0.60561800513546 0.48753628957003 0.13793544973249 18.998 > 7 27 F 0.10561800513546 0.48753628957003 0.63793544973249 18.998 > 7 28 F 0.60561800513546 0.48753628957003 0.63793544973249 18.998 > 7 29 F 0.39438199486454 0.48753628957003 0.11206455026751 18.998 > 8 30 F 0.89438199486454 0.48753628957003 0.11206455026751 18.998 > 8 31 F 0.39438199486454 0.48753628957003 0.61206455026751 18.998 > 8 32 F 0.89438199486454 0.48753628957003 0.61206455026751 18.998 > 8 33 F 0.14438199486454 0.01246371042997 0.36206455026751 18.998 > 9 34 F 0.64438199486454 0.01246371042997 0.36206455026751 18.998 > 9 35 F 0.14438199486454 0.01246371042997 0.86206455026751 18.998 > 9 36 F 0.64438199486454 0.01246371042997 0.86206455026751 18.998 > 9 37 F 0.35561800513546 0.01246371042997 0.38793544973249 18.998 > 10 38 F 0.85561800513546 0.01246371042997 0.38793544973249 18.998 > 10 39 F 0.35561800513546 0.01246371042997 0.88793544973249 18.998 > 10 40 F 0.85561800513546 0.01246371042997 0.88793544973249 18.998 > 10 41 F 0.40589490401470 0.19203972065944 0.11380729139424 18.998 > 11 42 F 0.90589490401470 0.19203972065944 0.11380729139424 18.998 > 11 43 F 0.40589490401470 0.19203972065944 0.61380729139424 18.998 > 11 44 F 0.90589490401470 0.19203972065944 0.61380729139424 18.998 > 11 45 F 0.09410509598530 0.19203972065944 0.13619270860576 18.998 > 12 46 F 0.59410509598530 0.19203972065944 0.13619270860576 18.998 > 12 47 F 0.09410509598530 0.19203972065944 0.63619270860576 18.998 > 12 48 F 0.59410509598530 0.19203972065944 0.63619270860576 18.998 > 12 49 F 0.01422724828411 0.90246111231520 0.22702145922522 18.998 > 1 50 F 0.51422724828411 0.90246111231520 0.22702145922522 18.998 > 1 51 F 0.01422724828411 0.90246111231520 0.72702145922522 18.998 > 1 52 F 0.51422724828411 0.90246111231520 0.72702145922522 18.998 > 1 53 F 0.48577275171589 0.90246111231520 0.02297854077478 18.998 > 2 54 F 0.98577275171589 0.90246111231520 0.02297854077478 18.998 > 2 55 F 0.48577275171589 0.90246111231520 0.52297854077478 18.998 > 2 56 F 0.98577275171589 0.90246111231520 0.52297854077478 18.998 > 2 57 F 0.23577275171589 0.59753888768480 0.27297854077478 18.998 > 3 58 F 0.73577275171589 0.59753888768480 0.27297854077478 18.998 > 3 59 F 0.23577275171589 0.59753888768480 0.77297854077478 18.998 > 3 60 F 0.73577275171589 0.59753888768480 0.77297854077478 18.998 > 3 61 F 0.26422724828411 0.59753888768480 0.47702145922522 18.998 > 4 62 F 0.76422724828411 0.59753888768480 0.47702145922522 18.998 > 4 63 F 0.26422724828411 0.59753888768480 0.97702145922522 18.998 > 4 64 F 0.76422724828411 0.59753888768480 0.97702145922522 18.998 > 4 65 F 0.40589490401470 0.80796027934056 0.36380729139424 18.998 > 5 66 F 0.90589490401470 0.80796027934056 0.36380729139424 18.998 > 5 67 F 0.40589490401470 0.80796027934056 0.86380729139424 18.998 > 5 68 F 0.90589490401470 0.80796027934056 0.86380729139424 18.998 > 5 69 F 0.09410509598530 0.80796027934056 0.38619270860576 18.998 > 6 70 F 0.59410509598530 0.80796027934056 0.38619270860576 18.998 > 6 71 F 0.09410509598530 0.80796027934056 0.88619270860576 18.998 > 6 72 F 0.59410509598530 0.80796027934056 0.88619270860576 18.998 > 6 73 F 0.35561800513546 0.98753628957004 0.13793544973249 18.998 > 7 74 F 0.85561800513546 0.98753628957004 0.13793544973249 18.998 > 7 75 F 0.35561800513546 0.98753628957004 0.63793544973249 18.998 > 7 76 F 0.85561800513546 0.98753628957004 0.63793544973249 18.998 > 7 77 F 0.14438199486454 0.98753628957004 0.11206455026751 18.998 > 8 78 F 0.64438199486454 0.98753628957004 0.11206455026751 18.998 > 8 79 F 0.14438199486454 0.98753628957004 0.61206455026751 18.998 > 8 80 F 0.64438199486454 0.98753628957004 0.61206455026751 18.998 > 8 81 F 0.39438199486454 0.51246371042996 0.36206455026751 18.998 > 9 82 F 0.89438199486454 0.51246371042996 0.36206455026751 18.998 > 9 83 F 0.39438199486454 0.51246371042996 0.86206455026751 18.998 > 9 84 F 0.89438199486454 0.51246371042996 0.86206455026751 18.998 > 9 85 F 0.10561800513546 0.51246371042996 0.38793544973249 18.998 > 10 86 F 0.60561800513546 0.51246371042996 0.38793544973249 18.998 > 10 87 F 0.10561800513546 0.51246371042996 0.88793544973249 18.998 > 10 88 F 0.60561800513546 0.51246371042996 0.88793544973249 18.998 > 10 89 F 0.15589490401470 0.69203972065944 0.11380729139424 18.998 > 11 90 F 0.65589490401470 0.69203972065944 0.11380729139424 18.998 > 11 91 F 0.15589490401470 0.69203972065944 0.61380729139424 18.998 > 11 92 F 0.65589490401470 0.69203972065944 0.61380729139424 18.998 > 11 93 F 0.34410509598530 0.69203972065944 0.13619270860576 18.998 > 12 94 F 0.84410509598530 0.69203972065944 0.13619270860576 18.998 > 12 95 F 0.34410509598530 0.69203972065944 0.63619270860576 18.998 > 12 96 F 0.84410509598530 0.69203972065944 0.63619270860576 18.998 > 12 *97 K 0.49109457241569 0.34365780345152 0.24888150000899 39.098 > 13 98 K 0.99109457241569 0.34365780345152 0.24888150000899 39.098 > 13 99 K 0.49109457241569 0.34365780345152 0.74888150000899 39.098 > 13 100 K 0.99109457241569 0.34365780345152 0.74888150000899 39.098 > 13 101 K 0.00890542758431 0.34365780345152 0.00111849999101 39.098 > 14 102 K 0.50890542758431 0.34365780345152 0.00111849999101 39.098 > 14 103 K 0.00890542758431 0.34365780345152 0.50111849999101 39.098 > 14 104 K 0.50890542758431 0.34365780345152 0.50111849999101 39.098 > 14 105 K 0.24109457241569 0.15634219654848 0.49888150000899 39.098 > 15 106 K 0.74109457241569 0.15634219654848 0.49888150000899 39.098 > 15 107 K 0.24109457241569 0.15634219654848 0.99888150000899 39.098 > 15 108 K 0.74109457241569 0.15634219654848 0.99888150000899 39.098 > 15 109 K 0.25890542758431 0.15634219654848 0.25111849999101 39.098 > 16 110 K 0.75890542758431 0.15634219654848 0.25111849999101 39.098 > 16 111 K 0.25890542758431 0.15634219654848 0.75111849999101 39.098 > 16 112 K 0.75890542758431 0.15634219654848 0.75111849999101 39.098 > 16 113 K 0.24109457241569 0.84365780345152 0.24888150000899 39.098 > 13 114 K 0.74109457241569 0.84365780345152 0.24888150000899 39.098 > 13 115 K 0.24109457241569 0.84365780345152 0.74888150000899 39.098 > 13 116 K 0.74109457241569 0.84365780345152 0.74888150000899 39.098 > 13 117 K 0.25890542758431 0.84365780345152 0.00111849999101 39.098 > 14 118 K 0.75890542758431 0.84365780345152 0.00111849999101 39.098 > 14 119 K 0.25890542758431 0.84365780345152 0.50111849999101 39.098 > 14 120 K 0.75890542758431 0.84365780345152 0.50111849999101 39.098 > 14 121 K 0.49109457241569 0.65634219654848 0.49888150000899 39.098 > 15 122 K 0.99109457241569 0.65634219654848 0.49888150000899 39.098 > 15 123 K 0.49109457241569 0.65634219654848 0.99888150000899 39.098 > 15 124 K 0.99109457241569 0.65634219654848 0.99888150000899 39.098 > 15 125 K 0.00890542758431 0.65634219654848 0.25111849999101 39.098 > 16 126 K 0.50890542758431 0.65634219654848 0.25111849999101 39.098 > 16 127 K 0.00890542758431 0.65634219654848 0.75111849999101 39.098 > 16 128 K 0.50890542758431 0.65634219654848 0.75111849999101 39.098 > 16 *129 Hf 0.00000000000000 0.04805596848715 0.12500000000000 178.490 > 17 130 Hf 0.50000000000000 0.04805596848715 0.12500000000000 178.490 > 17 131 Hf 0.00000000000000 0.04805596848715 0.62500000000000 178.490 > 17 132 Hf 0.50000000000000 0.04805596848715 0.62500000000000 178.490 > 17 133 Hf 0.25000000000000 0.45194403151285 0.37500000000000 178.490 > 18 134 Hf 0.75000000000000 0.45194403151285 0.37500000000000 178.490 > 18 135 Hf 0.25000000000000 0.45194403151285 0.87500000000000 178.490 > 18 136 Hf 0.75000000000000 0.45194403151285 0.87500000000000 178.490 > 18 137 Hf 0.25000000000000 0.54805596848715 0.12500000000000 178.490 > 17 138 Hf 0.75000000000000 0.54805596848715 0.12500000000000 178.490 > 17 139 Hf 0.25000000000000 0.54805596848715 0.62500000000000 178.490 > 17 140 Hf 0.75000000000000 0.54805596848715 0.62500000000000 178.490 > 17 141 Hf 0.00000000000000 0.95194403151285 0.37500000000000 178.490 > 18 142 Hf 0.50000000000000 0.95194403151285 0.37500000000000 178.490 > 18 143 Hf 0.00000000000000 0.95194403151285 0.87500000000000 178.490 > 18 144 Hf 0.50000000000000 0.95194403151285 0.87500000000000 178.490 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3070746 0.0000000 -0.0309376 0.0000000 2.2500517 0.0000000 -0.0309375 0.0000000 2.3164867 -------------------------- Born effective charges -------------------------- 1 F -0.6378625 0.0633991 0.0262116 0.0549910 -1.0182799 0.2469950 0.0364642 0.2609045 -1.7911374 2 F -0.6378625 -0.0633991 0.0262116 -0.0549910 -1.0182799 -0.2469950 0.0364642 -0.2609045 -1.7911374 3 F -0.6378625 0.0633991 0.0262116 0.0549910 -1.0182799 0.2469950 0.0364642 0.2609045 -1.7911374 4 F -0.6378625 -0.0633991 0.0262116 -0.0549910 -1.0182799 -0.2469950 0.0364642 -0.2609045 -1.7911374 5 F -1.1666372 -0.3859727 -0.0405208 -0.3654852 -1.3423008 -0.0397079 -0.0341373 -0.0415801 -0.8579357 6 F -1.1666372 0.3859727 -0.0405208 0.3654852 -1.3423008 0.0397079 -0.0341373 0.0415801 -0.8579357 7 F -1.6587617 -0.3637059 0.1000040 -0.3231848 -0.8556618 0.0323003 0.0823730 0.0127911 -0.8860003 8 F -1.6587617 0.3637059 0.1000040 0.3231848 -0.8556618 -0.0323003 0.0823730 -0.0127911 -0.8860003 9 F -1.6587617 -0.3637059 0.1000040 -0.3231848 -0.8556618 0.0323003 0.0823730 0.0127911 -0.8860003 10 F -1.6587617 0.3637059 0.1000040 0.3231848 -0.8556618 -0.0323003 0.0823730 -0.0127911 -0.8860003 11 F -1.1666372 0.3859727 -0.0405208 0.3654852 -1.3423008 0.0397079 -0.0341373 0.0415801 -0.8579357 12 F -1.1666372 -0.3859727 -0.0405208 -0.3654852 -1.3423008 -0.0397079 -0.0341373 -0.0415801 -0.8579357 13 K 1.2854908 -0.0343965 -0.0183381 -0.0320001 1.2486883 0.0754532 -0.0228113 0.0498207 1.1687073 14 K 1.2854908 0.0343965 -0.0183381 0.0320001 1.2486883 -0.0754532 -0.0228113 -0.0498207 1.1687073 15 K 1.2854908 0.0343965 -0.0183381 0.0320001 1.2486883 -0.0754532 -0.0228113 -0.0498207 1.1687073 16 K 1.2854908 -0.0343965 -0.0183381 -0.0320001 1.2486883 0.0754532 -0.0228113 0.0498207 1.1687073 17 Hf 4.3555413 0.0000000 -0.1347135 0.0000000 3.9351084 0.0000000 -0.1237774 0.0000000 4.7327321 18 Hf 4.3555413 0.0000000 -0.1347135 0.0000000 3.9351084 0.0000000 -0.1237774 0.0000000 4.7327321 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3052 Number of blocks in projector: 3052 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: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 650 / 650 (1) 145 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 646 / 646 (1) 140 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 646 / 646 (1) 140 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 370 Use standard eigh solver. Tree of FC basis block matrices: - (3052, 3012), data: False |-- (370, 365), data: True |-- (370, 365), data: True |-- (370, 365), data: True |-- (646, 638), data: False |-- (646, 6), data: (646, 14) @ (14, 6) |-- (146, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (646, 638), data: False |-- (646, 6), data: (646, 14) @ (14, 6) |-- (146, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (650, 641), data: False |-- (650, 5), data: (650, 14) @ (14, 5) |-- (150, 145), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 560 - Time: 1.351 Solver_block: 200 / 560 - Time: 1.300 Solver_block: 300 / 560 - Time: 1.535 Solver_block: 400 / 560 - Time: 0.990 Solver_block: 500 / 560 - Time: 2.996 Solver_block: 560 / 560 - Time: 1.637 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.365 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3052 Number of blocks in projector: 3052 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: 650 Use submatrix version of eigh solver. (1) Block: 500 / 650 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 650 / 650 (1) 145 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 646 / 646 (1) 140 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 646 / 646 (1) 140 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 370 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 370 Use standard eigh solver. Tree of FC basis block matrices: - (3052, 3012), data: False |-- (370, 365), data: True |-- (370, 365), data: True |-- (370, 365), data: True |-- (646, 638), data: False |-- (646, 6), data: (646, 14) @ (14, 6) |-- (146, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (646, 638), data: False |-- (646, 6), data: (646, 14) @ (14, 6) |-- (146, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (650, 641), data: False |-- (650, 5), data: (650, 14) @ (14, 5) |-- (150, 145), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 00:25:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:20]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.285703196750396 -5.748640010000001 0.000000000000000 b 3.285703196750396 5.748640010000001 0.000000000000000 c -0.078370784567120 0.000000000000000 6.850361051782666 Atomic positions (fractional): 1 F 0.12599338425301 0.93091560888342 0.45404291845045 18.998 2 F 0.06908439111658 0.87400661574699 0.04595708154955 18.998 3 F 0.87400661574699 0.06908439111658 0.54595708154955 18.998 4 F 0.93091560888342 0.12599338425301 0.95404291845045 18.998 5 F 0.00382952868884 0.61975008736997 0.72761458278848 18.998 6 F 0.38024991263003 0.99617047131116 0.77238541721152 18.998 7 F 0.72369972070089 0.69877229984096 0.27587089946497 18.998 8 F 0.30122770015904 0.27630027929911 0.22412910053503 18.998 9 F 0.27630027929911 0.30122770015904 0.72412910053503 18.998 10 F 0.69877229984096 0.72369972070089 0.77587089946497 18.998 11 F 0.61975008736997 0.00382952868884 0.22761458278848 18.998 12 F 0.99617047131116 0.38024991263003 0.27238541721152 18.998 13 K 0.63853134137986 0.32584694828290 0.49776300001798 39.098 14 K 0.67415305171710 0.36146865862014 0.00223699998202 39.098 15 K 0.32584694828290 0.63853134137986 0.99776300001798 39.098 16 K 0.36146865862014 0.67415305171710 0.50223699998202 39.098 17 Hf 0.95194403151285 0.04805596848715 0.25000000000000 178.490 18 Hf 0.04805596848715 0.95194403151285 0.75000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.142812787001583 0.000000000000000 0.000000000000000 b 0.000000000000000 11.497280020000002 0.000000000000000 c -0.156741569134240 0.000000000000000 13.700722103565331 Atomic positions (fractional): 1 F 0.26422724828411 0.40246111231520 0.22702145922522 18.998 > 1 2 F 0.76422724828411 0.40246111231520 0.22702145922522 18.998 > 1 3 F 0.26422724828411 0.40246111231520 0.72702145922522 18.998 > 1 4 F 0.76422724828411 0.40246111231520 0.72702145922522 18.998 > 1 5 F 0.23577275171589 0.40246111231520 0.02297854077478 18.998 > 5 6 F 0.73577275171589 0.40246111231520 0.02297854077478 18.998 > 5 7 F 0.23577275171589 0.40246111231520 0.52297854077478 18.998 > 5 8 F 0.73577275171589 0.40246111231520 0.52297854077478 18.998 > 5 9 F 0.48577275171589 0.09753888768480 0.27297854077478 18.998 > 9 10 F 0.98577275171589 0.09753888768480 0.27297854077478 18.998 > 9 11 F 0.48577275171589 0.09753888768480 0.77297854077478 18.998 > 9 12 F 0.98577275171589 0.09753888768480 0.77297854077478 18.998 > 9 13 F 0.01422724828411 0.09753888768480 0.47702145922522 18.998 > 13 14 F 0.51422724828411 0.09753888768480 0.47702145922522 18.998 > 13 15 F 0.01422724828411 0.09753888768480 0.97702145922522 18.998 > 13 16 F 0.51422724828411 0.09753888768480 0.97702145922522 18.998 > 13 17 F 0.15589490401470 0.30796027934056 0.36380729139424 18.998 > 17 18 F 0.65589490401470 0.30796027934056 0.36380729139424 18.998 > 17 19 F 0.15589490401470 0.30796027934056 0.86380729139424 18.998 > 17 20 F 0.65589490401470 0.30796027934056 0.86380729139424 18.998 > 17 21 F 0.34410509598530 0.30796027934056 0.38619270860576 18.998 > 21 22 F 0.84410509598530 0.30796027934056 0.38619270860576 18.998 > 21 23 F 0.34410509598530 0.30796027934056 0.88619270860576 18.998 > 21 24 F 0.84410509598530 0.30796027934056 0.88619270860576 18.998 > 21 25 F 0.10561800513546 0.48753628957003 0.13793544973249 18.998 > 25 26 F 0.60561800513546 0.48753628957003 0.13793544973249 18.998 > 25 27 F 0.10561800513546 0.48753628957003 0.63793544973249 18.998 > 25 28 F 0.60561800513546 0.48753628957003 0.63793544973249 18.998 > 25 29 F 0.39438199486454 0.48753628957003 0.11206455026751 18.998 > 29 30 F 0.89438199486454 0.48753628957003 0.11206455026751 18.998 > 29 31 F 0.39438199486454 0.48753628957003 0.61206455026751 18.998 > 29 32 F 0.89438199486454 0.48753628957003 0.61206455026751 18.998 > 29 33 F 0.14438199486454 0.01246371042997 0.36206455026751 18.998 > 33 34 F 0.64438199486454 0.01246371042997 0.36206455026751 18.998 > 33 35 F 0.14438199486454 0.01246371042997 0.86206455026751 18.998 > 33 36 F 0.64438199486454 0.01246371042997 0.86206455026751 18.998 > 33 37 F 0.35561800513546 0.01246371042997 0.38793544973249 18.998 > 37 38 F 0.85561800513546 0.01246371042997 0.38793544973249 18.998 > 37 39 F 0.35561800513546 0.01246371042997 0.88793544973249 18.998 > 37 40 F 0.85561800513546 0.01246371042997 0.88793544973249 18.998 > 37 41 F 0.40589490401470 0.19203972065944 0.11380729139424 18.998 > 41 42 F 0.90589490401470 0.19203972065944 0.11380729139424 18.998 > 41 43 F 0.40589490401470 0.19203972065944 0.61380729139424 18.998 > 41 44 F 0.90589490401470 0.19203972065944 0.61380729139424 18.998 > 41 45 F 0.09410509598530 0.19203972065944 0.13619270860576 18.998 > 45 46 F 0.59410509598530 0.19203972065944 0.13619270860576 18.998 > 45 47 F 0.09410509598530 0.19203972065944 0.63619270860576 18.998 > 45 48 F 0.59410509598530 0.19203972065944 0.63619270860576 18.998 > 45 49 F 0.01422724828411 0.90246111231520 0.22702145922522 18.998 > 1 50 F 0.51422724828411 0.90246111231520 0.22702145922522 18.998 > 1 51 F 0.01422724828411 0.90246111231520 0.72702145922522 18.998 > 1 52 F 0.51422724828411 0.90246111231520 0.72702145922522 18.998 > 1 53 F 0.48577275171589 0.90246111231520 0.02297854077478 18.998 > 5 54 F 0.98577275171589 0.90246111231520 0.02297854077478 18.998 > 5 55 F 0.48577275171589 0.90246111231520 0.52297854077478 18.998 > 5 56 F 0.98577275171589 0.90246111231520 0.52297854077478 18.998 > 5 57 F 0.23577275171589 0.59753888768480 0.27297854077478 18.998 > 9 58 F 0.73577275171589 0.59753888768480 0.27297854077478 18.998 > 9 59 F 0.23577275171589 0.59753888768480 0.77297854077478 18.998 > 9 60 F 0.73577275171589 0.59753888768480 0.77297854077478 18.998 > 9 61 F 0.26422724828411 0.59753888768480 0.47702145922522 18.998 > 13 62 F 0.76422724828411 0.59753888768480 0.47702145922522 18.998 > 13 63 F 0.26422724828411 0.59753888768480 0.97702145922522 18.998 > 13 64 F 0.76422724828411 0.59753888768480 0.97702145922522 18.998 > 13 65 F 0.40589490401470 0.80796027934056 0.36380729139424 18.998 > 17 66 F 0.90589490401470 0.80796027934056 0.36380729139424 18.998 > 17 67 F 0.40589490401470 0.80796027934056 0.86380729139424 18.998 > 17 68 F 0.90589490401470 0.80796027934056 0.86380729139424 18.998 > 17 69 F 0.09410509598530 0.80796027934056 0.38619270860576 18.998 > 21 70 F 0.59410509598530 0.80796027934056 0.38619270860576 18.998 > 21 71 F 0.09410509598530 0.80796027934056 0.88619270860576 18.998 > 21 72 F 0.59410509598530 0.80796027934056 0.88619270860576 18.998 > 21 73 F 0.35561800513546 0.98753628957004 0.13793544973249 18.998 > 25 74 F 0.85561800513546 0.98753628957004 0.13793544973249 18.998 > 25 75 F 0.35561800513546 0.98753628957004 0.63793544973249 18.998 > 25 76 F 0.85561800513546 0.98753628957004 0.63793544973249 18.998 > 25 77 F 0.14438199486454 0.98753628957004 0.11206455026751 18.998 > 29 78 F 0.64438199486454 0.98753628957004 0.11206455026751 18.998 > 29 79 F 0.14438199486454 0.98753628957004 0.61206455026751 18.998 > 29 80 F 0.64438199486454 0.98753628957004 0.61206455026751 18.998 > 29 81 F 0.39438199486454 0.51246371042996 0.36206455026751 18.998 > 33 82 F 0.89438199486454 0.51246371042996 0.36206455026751 18.998 > 33 83 F 0.39438199486454 0.51246371042996 0.86206455026751 18.998 > 33 84 F 0.89438199486454 0.51246371042996 0.86206455026751 18.998 > 33 85 F 0.10561800513546 0.51246371042996 0.38793544973249 18.998 > 37 86 F 0.60561800513546 0.51246371042996 0.38793544973249 18.998 > 37 87 F 0.10561800513546 0.51246371042996 0.88793544973249 18.998 > 37 88 F 0.60561800513546 0.51246371042996 0.88793544973249 18.998 > 37 89 F 0.15589490401470 0.69203972065944 0.11380729139424 18.998 > 41 90 F 0.65589490401470 0.69203972065944 0.11380729139424 18.998 > 41 91 F 0.15589490401470 0.69203972065944 0.61380729139424 18.998 > 41 92 F 0.65589490401470 0.69203972065944 0.61380729139424 18.998 > 41 93 F 0.34410509598530 0.69203972065944 0.13619270860576 18.998 > 45 94 F 0.84410509598530 0.69203972065944 0.13619270860576 18.998 > 45 95 F 0.34410509598530 0.69203972065944 0.63619270860576 18.998 > 45 96 F 0.84410509598530 0.69203972065944 0.63619270860576 18.998 > 45 97 K 0.49109457241569 0.34365780345152 0.24888150000899 39.098 > 97 98 K 0.99109457241569 0.34365780345152 0.24888150000899 39.098 > 97 99 K 0.49109457241569 0.34365780345152 0.74888150000899 39.098 > 97 100 K 0.99109457241569 0.34365780345152 0.74888150000899 39.098 > 97 101 K 0.00890542758431 0.34365780345152 0.00111849999101 39.098 > 101 102 K 0.50890542758431 0.34365780345152 0.00111849999101 39.098 > 101 103 K 0.00890542758431 0.34365780345152 0.50111849999101 39.098 > 101 104 K 0.50890542758431 0.34365780345152 0.50111849999101 39.098 > 101 105 K 0.24109457241569 0.15634219654848 0.49888150000899 39.098 > 105 106 K 0.74109457241569 0.15634219654848 0.49888150000899 39.098 > 105 107 K 0.24109457241569 0.15634219654848 0.99888150000899 39.098 > 105 108 K 0.74109457241569 0.15634219654848 0.99888150000899 39.098 > 105 109 K 0.25890542758431 0.15634219654848 0.25111849999101 39.098 > 109 110 K 0.75890542758431 0.15634219654848 0.25111849999101 39.098 > 109 111 K 0.25890542758431 0.15634219654848 0.75111849999101 39.098 > 109 112 K 0.75890542758431 0.15634219654848 0.75111849999101 39.098 > 109 113 K 0.24109457241569 0.84365780345152 0.24888150000899 39.098 > 97 114 K 0.74109457241569 0.84365780345152 0.24888150000899 39.098 > 97 115 K 0.24109457241569 0.84365780345152 0.74888150000899 39.098 > 97 116 K 0.74109457241569 0.84365780345152 0.74888150000899 39.098 > 97 117 K 0.25890542758431 0.84365780345152 0.00111849999101 39.098 > 101 118 K 0.75890542758431 0.84365780345152 0.00111849999101 39.098 > 101 119 K 0.25890542758431 0.84365780345152 0.50111849999101 39.098 > 101 120 K 0.75890542758431 0.84365780345152 0.50111849999101 39.098 > 101 121 K 0.49109457241569 0.65634219654848 0.49888150000899 39.098 > 105 122 K 0.99109457241569 0.65634219654848 0.49888150000899 39.098 > 105 123 K 0.49109457241569 0.65634219654848 0.99888150000899 39.098 > 105 124 K 0.99109457241569 0.65634219654848 0.99888150000899 39.098 > 105 125 K 0.00890542758431 0.65634219654848 0.25111849999101 39.098 > 109 126 K 0.50890542758431 0.65634219654848 0.25111849999101 39.098 > 109 127 K 0.00890542758431 0.65634219654848 0.75111849999101 39.098 > 109 128 K 0.50890542758431 0.65634219654848 0.75111849999101 39.098 > 109 129 Hf 0.00000000000000 0.04805596848715 0.12500000000000 178.490 > 129 130 Hf 0.50000000000000 0.04805596848715 0.12500000000000 178.490 > 129 131 Hf 0.00000000000000 0.04805596848715 0.62500000000000 178.490 > 129 132 Hf 0.50000000000000 0.04805596848715 0.62500000000000 178.490 > 129 133 Hf 0.25000000000000 0.45194403151285 0.37500000000000 178.490 > 133 134 Hf 0.75000000000000 0.45194403151285 0.37500000000000 178.490 > 133 135 Hf 0.25000000000000 0.45194403151285 0.87500000000000 178.490 > 133 136 Hf 0.75000000000000 0.45194403151285 0.87500000000000 178.490 > 133 137 Hf 0.25000000000000 0.54805596848715 0.12500000000000 178.490 > 129 138 Hf 0.75000000000000 0.54805596848715 0.12500000000000 178.490 > 129 139 Hf 0.25000000000000 0.54805596848715 0.62500000000000 178.490 > 129 140 Hf 0.75000000000000 0.54805596848715 0.62500000000000 178.490 > 129 141 Hf 0.00000000000000 0.95194403151285 0.37500000000000 178.490 > 133 142 Hf 0.50000000000000 0.95194403151285 0.37500000000000 178.490 > 133 143 Hf 0.00000000000000 0.95194403151285 0.87500000000000 178.490 > 133 144 Hf 0.50000000000000 0.95194403151285 0.87500000000000 178.490 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3070746 0.0000000 -0.0309376 0.0000000 2.2500517 0.0000000 -0.0309375 0.0000000 2.3164867 -------------------------- Born effective charges -------------------------- 1 F -0.6378625 0.0633991 0.0262116 0.0549910 -1.0182799 0.2469950 0.0364642 0.2609045 -1.7911374 2 F -0.6378625 -0.0633991 0.0262116 -0.0549910 -1.0182799 -0.2469950 0.0364642 -0.2609045 -1.7911374 3 F -0.6378625 0.0633991 0.0262116 0.0549910 -1.0182799 0.2469950 0.0364642 0.2609045 -1.7911374 4 F -0.6378625 -0.0633991 0.0262116 -0.0549910 -1.0182799 -0.2469950 0.0364642 -0.2609045 -1.7911374 5 F -1.1666372 -0.3859727 -0.0405208 -0.3654852 -1.3423008 -0.0397079 -0.0341373 -0.0415801 -0.8579357 6 F -1.1666372 0.3859727 -0.0405208 0.3654852 -1.3423008 0.0397079 -0.0341373 0.0415801 -0.8579357 7 F -1.6587617 -0.3637059 0.1000040 -0.3231848 -0.8556618 0.0323003 0.0823730 0.0127911 -0.8860003 8 F -1.6587617 0.3637059 0.1000040 0.3231848 -0.8556618 -0.0323003 0.0823730 -0.0127911 -0.8860003 9 F -1.6587617 -0.3637059 0.1000040 -0.3231848 -0.8556618 0.0323003 0.0823730 0.0127911 -0.8860003 10 F -1.6587617 0.3637059 0.1000040 0.3231848 -0.8556618 -0.0323003 0.0823730 -0.0127911 -0.8860003 11 F -1.1666372 0.3859727 -0.0405208 0.3654852 -1.3423008 0.0397079 -0.0341373 0.0415801 -0.8579357 12 F -1.1666372 -0.3859727 -0.0405208 -0.3654852 -1.3423008 -0.0397079 -0.0341373 -0.0415801 -0.8579357 13 K 1.2854908 -0.0343965 -0.0183381 -0.0320001 1.2486883 0.0754532 -0.0228113 0.0498207 1.1687073 14 K 1.2854908 0.0343965 -0.0183381 0.0320001 1.2486883 -0.0754532 -0.0228113 -0.0498207 1.1687073 15 K 1.2854908 0.0343965 -0.0183381 0.0320001 1.2486883 -0.0754532 -0.0228113 -0.0498207 1.1687073 16 K 1.2854908 -0.0343965 -0.0183381 -0.0320001 1.2486883 0.0754532 -0.0228113 0.0498207 1.1687073 17 Hf 4.3555413 0.0000000 -0.1347135 0.0000000 3.9351084 0.0000000 -0.1237774 0.0000000 4.7327321 18 Hf 4.3555413 0.0000000 -0.1347135 0.0000000 3.9351084 0.0000000 -0.1237774 0.0000000 4.7327321 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 129, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:25:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:55]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.285703196750396 -5.748640010000001 0.000000000000000 b 3.285703196750396 5.748640010000001 0.000000000000000 c -0.078370784567120 0.000000000000000 6.850361051782666 Atomic positions (fractional): 1 F 0.12599338425301 0.93091560888342 0.45404291845045 18.998 2 F 0.06908439111658 0.87400661574699 0.04595708154955 18.998 3 F 0.87400661574699 0.06908439111658 0.54595708154955 18.998 4 F 0.93091560888342 0.12599338425301 0.95404291845045 18.998 5 F 0.00382952868884 0.61975008736997 0.72761458278848 18.998 6 F 0.38024991263003 0.99617047131116 0.77238541721152 18.998 7 F 0.72369972070089 0.69877229984096 0.27587089946497 18.998 8 F 0.30122770015904 0.27630027929911 0.22412910053503 18.998 9 F 0.27630027929911 0.30122770015904 0.72412910053503 18.998 10 F 0.69877229984096 0.72369972070089 0.77587089946497 18.998 11 F 0.61975008736997 0.00382952868884 0.22761458278848 18.998 12 F 0.99617047131116 0.38024991263003 0.27238541721152 18.998 13 K 0.63853134137986 0.32584694828290 0.49776300001798 39.098 14 K 0.67415305171710 0.36146865862014 0.00223699998202 39.098 15 K 0.32584694828290 0.63853134137986 0.99776300001798 39.098 16 K 0.36146865862014 0.67415305171710 0.50223699998202 39.098 17 Hf 0.95194403151285 0.04805596848715 0.25000000000000 178.490 18 Hf 0.04805596848715 0.95194403151285 0.75000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.142812787001583 0.000000000000000 0.000000000000000 b 0.000000000000000 11.497280020000002 0.000000000000000 c -0.156741569134240 0.000000000000000 13.700722103565331 Atomic positions (fractional): 1 F 0.26422724828411 0.40246111231520 0.22702145922522 18.998 > 1 2 F 0.76422724828411 0.40246111231520 0.22702145922522 18.998 > 1 3 F 0.26422724828411 0.40246111231520 0.72702145922522 18.998 > 1 4 F 0.76422724828411 0.40246111231520 0.72702145922522 18.998 > 1 5 F 0.23577275171589 0.40246111231520 0.02297854077478 18.998 > 5 6 F 0.73577275171589 0.40246111231520 0.02297854077478 18.998 > 5 7 F 0.23577275171589 0.40246111231520 0.52297854077478 18.998 > 5 8 F 0.73577275171589 0.40246111231520 0.52297854077478 18.998 > 5 9 F 0.48577275171589 0.09753888768480 0.27297854077478 18.998 > 9 10 F 0.98577275171589 0.09753888768480 0.27297854077478 18.998 > 9 11 F 0.48577275171589 0.09753888768480 0.77297854077478 18.998 > 9 12 F 0.98577275171589 0.09753888768480 0.77297854077478 18.998 > 9 13 F 0.01422724828411 0.09753888768480 0.47702145922522 18.998 > 13 14 F 0.51422724828411 0.09753888768480 0.47702145922522 18.998 > 13 15 F 0.01422724828411 0.09753888768480 0.97702145922522 18.998 > 13 16 F 0.51422724828411 0.09753888768480 0.97702145922522 18.998 > 13 17 F 0.15589490401470 0.30796027934056 0.36380729139424 18.998 > 17 18 F 0.65589490401470 0.30796027934056 0.36380729139424 18.998 > 17 19 F 0.15589490401470 0.30796027934056 0.86380729139424 18.998 > 17 20 F 0.65589490401470 0.30796027934056 0.86380729139424 18.998 > 17 21 F 0.34410509598530 0.30796027934056 0.38619270860576 18.998 > 21 22 F 0.84410509598530 0.30796027934056 0.38619270860576 18.998 > 21 23 F 0.34410509598530 0.30796027934056 0.88619270860576 18.998 > 21 24 F 0.84410509598530 0.30796027934056 0.88619270860576 18.998 > 21 25 F 0.10561800513546 0.48753628957003 0.13793544973249 18.998 > 25 26 F 0.60561800513546 0.48753628957003 0.13793544973249 18.998 > 25 27 F 0.10561800513546 0.48753628957003 0.63793544973249 18.998 > 25 28 F 0.60561800513546 0.48753628957003 0.63793544973249 18.998 > 25 29 F 0.39438199486454 0.48753628957003 0.11206455026751 18.998 > 29 30 F 0.89438199486454 0.48753628957003 0.11206455026751 18.998 > 29 31 F 0.39438199486454 0.48753628957003 0.61206455026751 18.998 > 29 32 F 0.89438199486454 0.48753628957003 0.61206455026751 18.998 > 29 33 F 0.14438199486454 0.01246371042997 0.36206455026751 18.998 > 33 34 F 0.64438199486454 0.01246371042997 0.36206455026751 18.998 > 33 35 F 0.14438199486454 0.01246371042997 0.86206455026751 18.998 > 33 36 F 0.64438199486454 0.01246371042997 0.86206455026751 18.998 > 33 37 F 0.35561800513546 0.01246371042997 0.38793544973249 18.998 > 37 38 F 0.85561800513546 0.01246371042997 0.38793544973249 18.998 > 37 39 F 0.35561800513546 0.01246371042997 0.88793544973249 18.998 > 37 40 F 0.85561800513546 0.01246371042997 0.88793544973249 18.998 > 37 41 F 0.40589490401470 0.19203972065944 0.11380729139424 18.998 > 41 42 F 0.90589490401470 0.19203972065944 0.11380729139424 18.998 > 41 43 F 0.40589490401470 0.19203972065944 0.61380729139424 18.998 > 41 44 F 0.90589490401470 0.19203972065944 0.61380729139424 18.998 > 41 45 F 0.09410509598530 0.19203972065944 0.13619270860576 18.998 > 45 46 F 0.59410509598530 0.19203972065944 0.13619270860576 18.998 > 45 47 F 0.09410509598530 0.19203972065944 0.63619270860576 18.998 > 45 48 F 0.59410509598530 0.19203972065944 0.63619270860576 18.998 > 45 49 F 0.01422724828411 0.90246111231520 0.22702145922522 18.998 > 1 50 F 0.51422724828411 0.90246111231520 0.22702145922522 18.998 > 1 51 F 0.01422724828411 0.90246111231520 0.72702145922522 18.998 > 1 52 F 0.51422724828411 0.90246111231520 0.72702145922522 18.998 > 1 53 F 0.48577275171589 0.90246111231520 0.02297854077478 18.998 > 5 54 F 0.98577275171589 0.90246111231520 0.02297854077478 18.998 > 5 55 F 0.48577275171589 0.90246111231520 0.52297854077478 18.998 > 5 56 F 0.98577275171589 0.90246111231520 0.52297854077478 18.998 > 5 57 F 0.23577275171589 0.59753888768480 0.27297854077478 18.998 > 9 58 F 0.73577275171589 0.59753888768480 0.27297854077478 18.998 > 9 59 F 0.23577275171589 0.59753888768480 0.77297854077478 18.998 > 9 60 F 0.73577275171589 0.59753888768480 0.77297854077478 18.998 > 9 61 F 0.26422724828411 0.59753888768480 0.47702145922522 18.998 > 13 62 F 0.76422724828411 0.59753888768480 0.47702145922522 18.998 > 13 63 F 0.26422724828411 0.59753888768480 0.97702145922522 18.998 > 13 64 F 0.76422724828411 0.59753888768480 0.97702145922522 18.998 > 13 65 F 0.40589490401470 0.80796027934056 0.36380729139424 18.998 > 17 66 F 0.90589490401470 0.80796027934056 0.36380729139424 18.998 > 17 67 F 0.40589490401470 0.80796027934056 0.86380729139424 18.998 > 17 68 F 0.90589490401470 0.80796027934056 0.86380729139424 18.998 > 17 69 F 0.09410509598530 0.80796027934056 0.38619270860576 18.998 > 21 70 F 0.59410509598530 0.80796027934056 0.38619270860576 18.998 > 21 71 F 0.09410509598530 0.80796027934056 0.88619270860576 18.998 > 21 72 F 0.59410509598530 0.80796027934056 0.88619270860576 18.998 > 21 73 F 0.35561800513546 0.98753628957004 0.13793544973249 18.998 > 25 74 F 0.85561800513546 0.98753628957004 0.13793544973249 18.998 > 25 75 F 0.35561800513546 0.98753628957004 0.63793544973249 18.998 > 25 76 F 0.85561800513546 0.98753628957004 0.63793544973249 18.998 > 25 77 F 0.14438199486454 0.98753628957004 0.11206455026751 18.998 > 29 78 F 0.64438199486454 0.98753628957004 0.11206455026751 18.998 > 29 79 F 0.14438199486454 0.98753628957004 0.61206455026751 18.998 > 29 80 F 0.64438199486454 0.98753628957004 0.61206455026751 18.998 > 29 81 F 0.39438199486454 0.51246371042996 0.36206455026751 18.998 > 33 82 F 0.89438199486454 0.51246371042996 0.36206455026751 18.998 > 33 83 F 0.39438199486454 0.51246371042996 0.86206455026751 18.998 > 33 84 F 0.89438199486454 0.51246371042996 0.86206455026751 18.998 > 33 85 F 0.10561800513546 0.51246371042996 0.38793544973249 18.998 > 37 86 F 0.60561800513546 0.51246371042996 0.38793544973249 18.998 > 37 87 F 0.10561800513546 0.51246371042996 0.88793544973249 18.998 > 37 88 F 0.60561800513546 0.51246371042996 0.88793544973249 18.998 > 37 89 F 0.15589490401470 0.69203972065944 0.11380729139424 18.998 > 41 90 F 0.65589490401470 0.69203972065944 0.11380729139424 18.998 > 41 91 F 0.15589490401470 0.69203972065944 0.61380729139424 18.998 > 41 92 F 0.65589490401470 0.69203972065944 0.61380729139424 18.998 > 41 93 F 0.34410509598530 0.69203972065944 0.13619270860576 18.998 > 45 94 F 0.84410509598530 0.69203972065944 0.13619270860576 18.998 > 45 95 F 0.34410509598530 0.69203972065944 0.63619270860576 18.998 > 45 96 F 0.84410509598530 0.69203972065944 0.63619270860576 18.998 > 45 97 K 0.49109457241569 0.34365780345152 0.24888150000899 39.098 > 97 98 K 0.99109457241569 0.34365780345152 0.24888150000899 39.098 > 97 99 K 0.49109457241569 0.34365780345152 0.74888150000899 39.098 > 97 100 K 0.99109457241569 0.34365780345152 0.74888150000899 39.098 > 97 101 K 0.00890542758431 0.34365780345152 0.00111849999101 39.098 > 101 102 K 0.50890542758431 0.34365780345152 0.00111849999101 39.098 > 101 103 K 0.00890542758431 0.34365780345152 0.50111849999101 39.098 > 101 104 K 0.50890542758431 0.34365780345152 0.50111849999101 39.098 > 101 105 K 0.24109457241569 0.15634219654848 0.49888150000899 39.098 > 105 106 K 0.74109457241569 0.15634219654848 0.49888150000899 39.098 > 105 107 K 0.24109457241569 0.15634219654848 0.99888150000899 39.098 > 105 108 K 0.74109457241569 0.15634219654848 0.99888150000899 39.098 > 105 109 K 0.25890542758431 0.15634219654848 0.25111849999101 39.098 > 109 110 K 0.75890542758431 0.15634219654848 0.25111849999101 39.098 > 109 111 K 0.25890542758431 0.15634219654848 0.75111849999101 39.098 > 109 112 K 0.75890542758431 0.15634219654848 0.75111849999101 39.098 > 109 113 K 0.24109457241569 0.84365780345152 0.24888150000899 39.098 > 97 114 K 0.74109457241569 0.84365780345152 0.24888150000899 39.098 > 97 115 K 0.24109457241569 0.84365780345152 0.74888150000899 39.098 > 97 116 K 0.74109457241569 0.84365780345152 0.74888150000899 39.098 > 97 117 K 0.25890542758431 0.84365780345152 0.00111849999101 39.098 > 101 118 K 0.75890542758431 0.84365780345152 0.00111849999101 39.098 > 101 119 K 0.25890542758431 0.84365780345152 0.50111849999101 39.098 > 101 120 K 0.75890542758431 0.84365780345152 0.50111849999101 39.098 > 101 121 K 0.49109457241569 0.65634219654848 0.49888150000899 39.098 > 105 122 K 0.99109457241569 0.65634219654848 0.49888150000899 39.098 > 105 123 K 0.49109457241569 0.65634219654848 0.99888150000899 39.098 > 105 124 K 0.99109457241569 0.65634219654848 0.99888150000899 39.098 > 105 125 K 0.00890542758431 0.65634219654848 0.25111849999101 39.098 > 109 126 K 0.50890542758431 0.65634219654848 0.25111849999101 39.098 > 109 127 K 0.00890542758431 0.65634219654848 0.75111849999101 39.098 > 109 128 K 0.50890542758431 0.65634219654848 0.75111849999101 39.098 > 109 129 Hf 0.00000000000000 0.04805596848715 0.12500000000000 178.490 > 129 130 Hf 0.50000000000000 0.04805596848715 0.12500000000000 178.490 > 129 131 Hf 0.00000000000000 0.04805596848715 0.62500000000000 178.490 > 129 132 Hf 0.50000000000000 0.04805596848715 0.62500000000000 178.490 > 129 133 Hf 0.25000000000000 0.45194403151285 0.37500000000000 178.490 > 133 134 Hf 0.75000000000000 0.45194403151285 0.37500000000000 178.490 > 133 135 Hf 0.25000000000000 0.45194403151285 0.87500000000000 178.490 > 133 136 Hf 0.75000000000000 0.45194403151285 0.87500000000000 178.490 > 133 137 Hf 0.25000000000000 0.54805596848715 0.12500000000000 178.490 > 129 138 Hf 0.75000000000000 0.54805596848715 0.12500000000000 178.490 > 129 139 Hf 0.25000000000000 0.54805596848715 0.62500000000000 178.490 > 129 140 Hf 0.75000000000000 0.54805596848715 0.62500000000000 178.490 > 129 141 Hf 0.00000000000000 0.95194403151285 0.37500000000000 178.490 > 133 142 Hf 0.50000000000000 0.95194403151285 0.37500000000000 178.490 > 133 143 Hf 0.00000000000000 0.95194403151285 0.87500000000000 178.490 > 133 144 Hf 0.50000000000000 0.95194403151285 0.87500000000000 178.490 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3070746 0.0000000 -0.0309376 0.0000000 2.2500517 0.0000000 -0.0309375 0.0000000 2.3164867 -------------------------- Born effective charges -------------------------- 1 F -0.6378625 0.0633991 0.0262116 0.0549910 -1.0182799 0.2469950 0.0364642 0.2609045 -1.7911374 2 F -0.6378625 -0.0633991 0.0262116 -0.0549910 -1.0182799 -0.2469950 0.0364642 -0.2609045 -1.7911374 3 F -0.6378625 0.0633991 0.0262116 0.0549910 -1.0182799 0.2469950 0.0364642 0.2609045 -1.7911374 4 F -0.6378625 -0.0633991 0.0262116 -0.0549910 -1.0182799 -0.2469950 0.0364642 -0.2609045 -1.7911374 5 F -1.1666372 -0.3859727 -0.0405208 -0.3654852 -1.3423008 -0.0397079 -0.0341373 -0.0415801 -0.8579357 6 F -1.1666372 0.3859727 -0.0405208 0.3654852 -1.3423008 0.0397079 -0.0341373 0.0415801 -0.8579357 7 F -1.6587617 -0.3637059 0.1000040 -0.3231848 -0.8556618 0.0323003 0.0823730 0.0127911 -0.8860003 8 F -1.6587617 0.3637059 0.1000040 0.3231848 -0.8556618 -0.0323003 0.0823730 -0.0127911 -0.8860003 9 F -1.6587617 -0.3637059 0.1000040 -0.3231848 -0.8556618 0.0323003 0.0823730 0.0127911 -0.8860003 10 F -1.6587617 0.3637059 0.1000040 0.3231848 -0.8556618 -0.0323003 0.0823730 -0.0127911 -0.8860003 11 F -1.1666372 0.3859727 -0.0405208 0.3654852 -1.3423008 0.0397079 -0.0341373 0.0415801 -0.8579357 12 F -1.1666372 -0.3859727 -0.0405208 -0.3654852 -1.3423008 -0.0397079 -0.0341373 -0.0415801 -0.8579357 13 K 1.2854908 -0.0343965 -0.0183381 -0.0320001 1.2486883 0.0754532 -0.0228113 0.0498207 1.1687073 14 K 1.2854908 0.0343965 -0.0183381 0.0320001 1.2486883 -0.0754532 -0.0228113 -0.0498207 1.1687073 15 K 1.2854908 0.0343965 -0.0183381 0.0320001 1.2486883 -0.0754532 -0.0228113 -0.0498207 1.1687073 16 K 1.2854908 -0.0343965 -0.0183381 -0.0320001 1.2486883 0.0754532 -0.0228113 0.0498207 1.1687073 17 Hf 4.3555413 0.0000000 -0.1347135 0.0000000 3.9351084 0.0000000 -0.1237774 0.0000000 4.7327321 18 Hf 4.3555413 0.0000000 -0.1347135 0.0000000 3.9351084 0.0000000 -0.1237774 0.0000000 4.7327321 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.65, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 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 1.245 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.406 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.752 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 0.000) 0.000 13.122 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 15.720 ( 0.000 0.000 0.000) 0.000 16.308 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 16.577 -7.988 1.786) 18.488 0.451 ( 19.661 -11.421 -2.127) 22.837 0.814 ( 38.189 -14.353 -5.783) 41.205 1.313 ( 5.430 -4.086 1.488) 6.957 2.453 ( 8.925 18.658 12.633) 24.236 2.543 ( 4.230 2.792 -3.890) 6.389 2.616 ( 5.972 0.686 0.382) 6.023 2.784 ( 1.471 -1.908 6.980) 7.384 2.846 ( 2.372 3.838 3.678) 5.821 3.175 ( -4.311 2.533 -9.831) 11.030 3.224 ( -0.486 -1.530 -5.263) 5.503 3.401 ( 3.527 -0.035 15.297) 15.698 3.553 ( 0.228 0.281 3.584) 3.602 3.927 ( -13.948 -14.211 5.434) 20.641 4.064 ( -2.697 4.005 -2.379) 5.383 4.174 ( -1.135 -3.684 0.749) 3.927 4.447 ( -1.468 1.405 0.872) 2.211 4.561 ( -6.479 3.583 -1.693) 7.595 4.638 ( -1.575 -2.427 -0.480) 2.933 4.876 ( -4.221 -5.244 -14.197) 15.712 5.020 ( 0.789 0.782 1.423) 1.805 5.078 ( 4.320 1.247 -16.135) 16.750 5.339 ( 6.433 8.104 8.163) 13.179 5.588 ( -1.167 -0.025 24.148) 24.176 5.832 ( -0.246 -0.272 0.168) 0.403 5.942 ( 0.415 0.286 -7.660) 7.676 6.293 ( 0.738 0.178 -0.283) 0.810 6.670 ( -2.510 -0.025 0.389) 2.540 6.963 ( -10.060 -10.526 0.623) 14.573 7.109 ( 0.605 -1.003 -0.445) 1.253 7.751 ( 0.334 0.820 -0.160) 0.899 8.413 ( -1.950 9.207 5.683) 10.993 8.553 ( -1.022 -2.260 12.372) 12.618 8.954 ( 11.405 19.769 -10.004) 24.919 9.073 ( 1.138 6.648 -2.893) 7.339 9.260 ( 6.963 2.083 -0.752) 7.307 9.491 ( 3.729 -1.970 -1.079) 4.353 9.685 ( -13.384 -16.323 -5.275) 21.758 10.248 ( -1.263 -2.813 -0.480) 3.121 10.759 ( -8.208 -10.458 -3.746) 13.813 11.071 ( 0.635 -0.003 8.925) 8.948 11.116 ( 1.238 0.736 -0.443) 1.507 11.199 ( -0.066 -0.482 4.505) 4.531 11.440 ( 2.654 -0.463 -2.750) 3.850 11.621 ( 1.219 -0.831 1.571) 2.155 11.862 ( -11.496 -19.721 -0.268) 22.829 12.722 ( -5.935 1.293 -0.228) 6.079 12.800 ( -1.415 -2.189 0.239) 2.617 13.138 ( 0.312 -0.063 -3.023) 3.040 13.300 ( 11.998 0.851 3.295) 12.472 13.529 ( -1.039 -2.737 0.390) 2.954 15.348 ( 23.614 42.079 -18.053) 51.518 15.713 ( -0.961 0.032 0.080) 0.965 16.297 ( -2.226 -0.615 -0.079) 2.311 ======================= Grid point 2 (3/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 15.973 -7.222 0.045) 17.530 0.876 ( 17.625 -10.914 -2.489) 20.880 1.467 ( 11.586 -8.251 0.626) 14.237 1.557 ( 28.241 -9.821 -2.911) 30.042 2.424 ( 4.993 11.867 3.838) 13.434 2.619 ( 7.477 3.803 -3.360) 9.036 2.724 ( 8.427 2.790 -6.685) 11.113 2.822 ( -1.452 -2.269 0.251) 2.706 2.845 ( 1.188 0.780 5.307) 5.494 3.049 ( -6.115 -0.640 -10.527) 12.191 3.282 ( 4.321 -0.625 -2.951) 5.270 3.450 ( 2.315 1.635 12.313) 12.635 3.543 ( -2.437 -2.725 8.862) 9.587 3.857 ( -4.803 -4.533 3.109) 7.299 3.902 ( -7.517 9.268 -2.126) 12.121 4.180 ( -1.165 -0.504 -0.329) 1.312 4.338 ( -6.375 6.483 2.287) 9.375 4.454 ( -3.773 -1.440 -2.196) 4.597 4.635 ( -2.700 -4.435 -0.555) 5.221 4.872 ( -2.933 -5.243 -11.157) 12.671 5.034 ( 2.094 1.259 2.094) 3.218 5.113 ( -0.197 -1.658 4.010) 4.344 5.345 ( 2.993 9.257 4.519) 10.727 5.578 ( -0.723 -1.907 2.614) 3.315 5.833 ( 0.485 0.369 -0.392) 0.724 5.948 ( 0.255 -0.452 -1.406) 1.498 6.300 ( 0.033 0.251 -0.756) 0.797 6.619 ( -3.156 -0.054 0.518) 3.198 6.892 ( -7.215 -5.462 0.075) 9.049 7.118 ( -0.150 0.021 -0.088) 0.175 7.746 ( 0.304 1.415 -0.264) 1.471 8.277 ( -4.899 5.607 -1.758) 7.651 8.562 ( -0.061 -1.203 6.656) 6.764 8.957 ( 5.868 9.657 -5.093) 12.395 9.034 ( -0.610 2.110 0.041) 2.197 9.335 ( 3.565 2.556 2.236) 4.923 9.579 ( 3.257 -2.504 -1.340) 4.322 9.614 ( -7.385 -7.425 -3.395) 11.008 10.269 ( -0.056 -4.675 -0.779) 4.739 10.712 ( -3.207 -0.316 -2.341) 3.983 11.091 ( 1.103 -0.538 1.205) 1.720 11.132 ( 1.640 1.059 -0.294) 1.974 11.200 ( -0.334 -0.243 4.387) 4.406 11.496 ( 3.069 -0.433 -0.528) 3.144 11.671 ( 3.508 -1.481 1.870) 4.242 11.859 ( -5.194 -9.151 -1.738) 10.664 12.619 ( -4.773 0.347 -0.233) 4.792 12.789 ( -3.643 -3.822 0.461) 5.300 13.130 ( -0.667 0.390 -1.987) 2.132 13.481 ( 4.905 0.475 0.805) 4.994 13.583 ( 7.377 -3.924 2.048) 8.603 15.338 ( 12.742 22.766 -8.215) 27.352 15.685 ( -2.503 -0.414 0.200) 2.545 16.255 ( -3.116 -0.273 -0.052) 3.129 ======================= Grid point 3 (4/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 13.268 -5.414 -1.286) 14.388 1.246 ( 14.011 -9.705 -2.927) 17.293 1.677 ( 6.097 -7.633 3.978) 10.548 2.075 ( 20.631 -5.089 -3.579) 21.549 2.389 ( 2.403 9.104 5.582) 10.946 2.662 ( 0.105 3.193 -5.451) 6.319 2.729 ( -4.396 2.581 -6.728) 8.441 2.834 ( 4.976 1.451 0.911) 5.263 2.938 ( 11.702 2.421 -8.684) 14.772 3.045 ( 1.353 -5.403 -0.128) 5.572 3.330 ( -1.362 -1.166 -3.174) 3.646 3.437 ( -1.688 1.416 7.564) 7.879 3.556 ( -0.714 -4.337 10.311) 11.209 3.662 ( -8.265 7.257 -1.348) 11.081 3.874 ( 2.578 -1.170 3.471) 4.479 4.132 ( -4.954 0.510 0.241) 4.986 4.187 ( -3.412 5.492 1.711) 6.688 4.421 ( -1.688 -0.901 -1.720) 2.572 4.636 ( -2.830 -5.814 -0.785) 6.513 4.861 ( -1.045 -0.068 -8.953) 9.014 5.061 ( 1.612 0.349 1.048) 1.954 5.094 ( -5.221 -2.171 11.233) 12.576 5.276 ( 0.931 8.616 0.046) 8.667 5.602 ( 0.895 -1.715 -2.443) 3.116 5.840 ( 0.566 0.193 0.175) 0.623 5.958 ( 0.221 -0.613 0.326) 0.729 6.284 ( -1.528 0.165 -1.023) 1.846 6.579 ( -1.521 -0.103 0.337) 1.561 6.832 ( -4.708 -3.340 -0.396) 5.786 7.107 ( -0.679 0.442 0.212) 0.837 7.734 ( -0.053 1.464 -0.302) 1.496 8.160 ( -3.549 2.947 -2.032) 5.040 8.576 ( 0.426 -0.699 2.806) 2.923 8.952 ( 1.834 5.232 -1.658) 5.787 9.019 ( 0.395 0.534 -0.264) 0.714 9.335 ( 0.375 2.484 2.669) 3.665 9.560 ( -5.618 -5.156 -2.905) 8.160 9.657 ( 3.168 -0.492 -0.581) 3.258 10.339 ( 2.181 -5.267 -0.716) 5.746 10.663 ( -1.084 2.740 -1.436) 3.278 11.113 ( 0.851 -0.497 -0.456) 1.086 11.148 ( 1.261 0.864 0.681) 1.673 11.196 ( -0.196 0.084 1.727) 1.740 11.540 ( 1.865 0.029 0.496) 1.930 11.759 ( 5.056 -0.597 1.390) 5.278 11.862 ( -2.741 -5.266 -1.690) 6.172 12.565 ( -1.464 -0.589 -0.199) 1.590 12.745 ( -6.027 -4.036 0.541) 7.274 13.113 ( -0.616 0.529 -1.325) 1.554 13.497 ( -1.071 -1.330 0.301) 1.734 13.782 ( 10.174 -1.199 1.639) 10.375 15.340 ( 8.978 14.566 -4.341) 17.653 15.639 ( -3.790 -1.278 0.349) 4.015 16.205 ( -2.845 -0.212 -0.069) 2.854 ======================= Grid point 4 (5/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 5.743 -2.081 -0.884) 6.173 1.508 ( 6.822 -5.372 -2.304) 8.984 1.793 ( 1.240 -2.516 3.316) 4.343 2.330 ( 6.345 1.616 -1.426) 6.701 2.335 ( -0.306 1.392 3.185) 3.490 2.584 ( -2.980 0.415 -5.002) 5.837 2.697 ( 0.868 1.739 -0.449) 1.995 2.882 ( 3.173 1.724 -0.392) 3.632 3.095 ( 0.907 -1.295 -2.321) 2.808 3.151 ( 10.537 0.775 -5.891) 12.097 3.271 ( -4.206 -1.065 0.518) 4.369 3.372 ( -4.815 0.319 6.391) 8.008 3.524 ( -0.952 1.585 -0.547) 1.928 3.586 ( -1.785 -1.548 2.548) 3.475 3.962 ( 4.738 -2.396 2.632) 5.926 4.044 ( -3.075 0.828 2.407) 3.992 4.102 ( -2.275 3.370 -1.840) 4.463 4.409 ( -0.366 -0.201 -0.657) 0.779 4.656 ( -1.133 -4.693 -0.690) 4.877 4.837 ( 0.308 3.314 -5.139) 6.123 4.997 ( -4.838 -0.124 6.866) 8.401 5.080 ( 0.625 0.263 0.350) 0.762 5.245 ( 0.792 2.067 -0.358) 2.243 5.626 ( 0.497 -0.551 -1.345) 1.536 5.846 ( 0.227 0.023 0.232) 0.326 5.965 ( 0.105 -0.279 0.357) 0.465 6.257 ( -1.052 0.044 -0.524) 1.176 6.567 ( -0.233 -0.055 0.094) 0.257 6.800 ( -1.625 -1.172 -0.267) 2.021 7.093 ( -0.389 0.241 0.149) 0.481 7.721 ( -0.131 0.644 -0.156) 0.675 8.103 ( -1.136 0.868 -0.796) 1.637 8.587 ( 0.223 -0.256 0.731) 0.806 8.929 ( -0.141 1.417 -0.211) 1.440 9.026 ( 0.508 0.277 -0.198) 0.612 9.326 ( 0.603 1.132 1.130) 1.709 9.518 ( -2.671 -1.696 -1.028) 3.327 9.697 ( 1.102 -0.195 -0.309) 1.161 10.416 ( 1.375 -2.809 -0.252) 3.138 10.626 ( -0.283 1.930 -0.511) 2.017 11.126 ( 0.298 -0.184 -0.293) 0.456 11.155 ( 0.301 0.296 0.773) 0.881 11.195 ( 0.173 0.105 -0.048) 0.209 11.560 ( 0.586 0.079 0.281) 0.655 11.834 ( 3.695 1.215 1.113) 4.046 11.862 ( -2.196 -2.932 -1.243) 3.868 12.584 ( 3.019 0.029 -0.238) 3.028 12.669 ( -6.158 -2.341 0.404) 6.600 13.101 ( -0.244 0.240 -0.488) 0.596 13.491 ( -0.569 -0.534 0.138) 0.793 13.914 ( 3.953 -0.305 0.569) 4.005 15.354 ( 3.927 5.645 -1.490) 7.036 15.594 ( -2.299 -1.063 0.250) 2.545 16.171 ( -1.172 -0.095 -0.036) 1.176 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 19.908 -0.000 -3.024) 20.137 0.715 ( 19.767 -0.000 -6.419) 20.783 1.376 ( 18.728 -0.000 1.803) 18.815 1.459 ( 26.630 -0.000 -1.191) 26.656 2.536 ( 1.312 -0.000 -6.392) 6.525 2.706 ( 7.360 -0.000 5.488) 9.181 2.756 ( 7.885 -0.000 -6.393) 10.151 2.776 ( 1.615 -0.000 4.784) 5.049 2.875 ( -1.297 0.000 8.334) 8.434 3.044 ( -8.523 0.000 -13.042) 15.580 3.279 ( 4.081 -0.000 -2.315) 4.692 3.447 ( 1.869 -0.000 14.384) 14.505 3.525 ( -2.420 0.000 5.083) 5.629 3.785 ( -2.183 0.000 4.590) 5.083 4.067 ( -6.263 0.000 0.557) 6.288 4.111 ( 0.455 -0.000 -3.083) 3.116 4.429 ( -1.639 0.000 0.376) 1.682 4.468 ( -8.992 0.000 -4.066) 9.869 4.505 ( -7.604 0.000 0.908) 7.658 4.819 ( 0.872 -0.000 -6.179) 6.240 5.051 ( 2.216 -0.000 3.876) 4.465 5.101 ( -0.897 0.000 -0.681) 1.126 5.450 ( 4.022 -0.000 -3.940) 5.630 5.561 ( -2.427 0.000 11.964) 12.207 5.837 ( 0.602 -0.000 -0.373) 0.708 5.945 ( 0.046 -0.000 -2.827) 2.828 6.303 ( -0.030 0.000 -0.186) 0.189 6.622 ( -3.046 0.000 0.176) 3.051 6.822 ( -4.336 0.000 -0.326) 4.349 7.117 ( 0.264 -0.000 -0.055) 0.270 7.761 ( 0.217 -0.000 -0.393) 0.449 8.344 ( -8.891 0.000 -3.561) 9.578 8.534 ( 1.467 -0.000 9.858) 9.967 9.034 ( -0.398 0.000 0.739) 0.839 9.242 ( 0.280 -0.000 -0.735) 0.787 9.349 ( -1.591 0.000 -12.041) 12.146 9.368 ( -0.350 0.000 1.673) 1.709 9.585 ( 3.475 -0.000 0.144) 3.478 10.217 ( -0.911 0.000 -1.631) 1.868 10.702 ( 2.008 -0.000 0.009) 2.008 11.072 ( 0.033 -0.000 -4.814) 4.814 11.143 ( 1.420 -0.000 1.190) 1.853 11.202 ( 0.200 -0.000 12.944) 12.945 11.507 ( 5.047 -0.000 -3.664) 6.237 11.651 ( 3.232 -0.000 3.365) 4.665 11.747 ( -0.085 0.000 -3.861) 3.862 12.627 ( -5.527 0.000 0.030) 5.527 12.748 ( -3.120 0.000 -0.343) 3.139 13.134 ( -0.508 0.000 -1.863) 1.931 13.491 ( -1.465 0.000 0.240) 1.484 13.538 ( 14.563 -0.000 2.789) 14.827 15.593 ( 0.198 -0.000 -9.339) 9.341 15.699 ( -2.531 0.000 -0.712) 2.630 16.252 ( -2.918 0.000 -0.050) 2.919 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 17.366 1.616 -5.474) 18.280 1.078 ( 16.664 -7.394 -6.112) 19.228 1.567 ( 9.099 -3.165 6.152) 11.430 1.989 ( 25.006 -2.792 -2.945) 25.333 2.524 ( -1.179 3.827 3.350) 5.221 2.697 ( -6.251 0.711 -8.511) 10.583 2.786 ( 0.364 2.569 -2.672) 3.725 2.880 ( 4.984 2.734 5.756) 8.090 2.952 ( 3.116 -3.255 -0.440) 4.527 2.981 ( 10.527 0.926 -11.244) 15.430 3.333 ( 1.975 1.357 -3.684) 4.395 3.463 ( -2.265 -0.767 11.441) 11.688 3.476 ( -2.322 -1.596 6.223) 6.831 3.759 ( -3.557 -0.620 3.361) 4.933 3.906 ( -3.821 6.965 1.464) 8.078 4.109 ( -4.514 -2.741 -1.408) 5.466 4.281 ( -6.699 4.704 -0.480) 8.200 4.405 ( -1.461 -1.187 -1.797) 2.602 4.447 ( -7.532 -9.980 1.395) 12.581 4.859 ( 3.198 -0.031 -3.563) 4.788 5.063 ( -3.127 -0.109 3.866) 4.974 5.088 ( 1.818 0.654 3.905) 4.357 5.453 ( 0.078 7.674 -0.584) 7.697 5.554 ( 0.507 -3.319 -1.466) 3.664 5.847 ( 0.689 0.284 0.226) 0.778 5.948 ( 0.172 -0.326 0.170) 0.406 6.286 ( -1.756 0.078 -0.238) 1.774 6.580 ( -1.503 0.179 -0.019) 1.514 6.775 ( -2.561 -2.025 -0.999) 3.414 7.113 ( -0.629 0.142 0.187) 0.671 7.756 ( -0.421 0.667 -0.695) 1.051 8.196 ( -7.142 0.807 -3.200) 7.868 8.568 ( 1.819 -0.149 5.715) 5.999 9.025 ( -0.624 0.177 0.502) 0.820 9.114 ( -1.954 10.251 -2.260) 10.678 9.346 ( -4.161 -3.116 -2.382) 5.718 9.429 ( 1.416 -5.865 -1.175) 6.147 9.647 ( 3.094 -0.397 -0.356) 3.140 10.233 ( 0.820 -3.971 -1.650) 4.378 10.725 ( 1.479 2.576 -0.471) 3.008 11.078 ( -0.339 -1.785 -9.132) 9.311 11.161 ( 0.798 0.209 2.875) 2.991 11.206 ( 0.208 0.546 13.958) 13.970 11.581 ( 4.915 3.206 -2.243) 6.282 11.739 ( 4.643 -2.653 1.927) 5.684 11.770 ( 1.620 -2.244 -3.741) 4.654 12.559 ( -1.801 -0.099 0.092) 1.806 12.693 ( -4.226 -1.368 -0.408) 4.460 13.121 ( -0.735 0.255 -1.214) 1.442 13.474 ( -0.983 -0.782 0.430) 1.328 13.767 ( 11.353 -0.380 1.783) 11.499 15.569 ( 0.816 7.076 -5.870) 9.230 15.622 ( -4.880 -0.267 0.580) 4.922 16.202 ( -2.773 -0.093 -0.045) 2.775 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 9.902 0.431 -5.873) 11.521 1.396 ( 13.075 -5.772 -6.003) 15.502 1.747 ( 8.238 -1.947 7.225) 11.129 2.288 ( 6.431 -2.397 -2.440) 7.284 2.411 ( -6.838 2.999 -1.124) 7.551 2.585 ( -4.555 -0.045 -2.579) 5.235 2.750 ( -0.591 2.990 2.671) 4.053 2.921 ( 1.704 2.143 -0.367) 2.763 3.039 ( 2.024 -3.641 0.849) 4.251 3.180 ( 8.755 1.143 -8.320) 12.132 3.306 ( 1.408 4.670 -0.684) 4.925 3.389 ( -3.349 1.841 6.441) 7.490 3.512 ( 0.881 -4.151 1.577) 4.527 3.647 ( -1.749 7.321 -0.280) 7.532 3.901 ( 2.208 -3.331 3.903) 5.586 4.028 ( -5.444 -1.475 -0.843) 5.703 4.157 ( -5.305 2.131 -1.649) 5.950 4.405 ( -0.247 -1.272 -0.243) 1.318 4.434 ( -6.545 -12.945 1.512) 14.585 4.910 ( 3.475 2.374 -0.315) 4.220 4.996 ( -4.118 0.070 4.063) 5.785 5.102 ( 1.021 1.596 1.910) 2.690 5.369 ( 0.342 8.356 -2.813) 8.823 5.596 ( 0.491 -2.497 -2.498) 3.566 5.854 ( 0.663 0.604 1.064) 1.392 5.956 ( 0.259 -0.569 0.946) 1.134 6.256 ( -1.321 -0.099 0.269) 1.351 6.567 ( -0.161 0.061 -0.404) 0.439 6.774 ( 0.544 -1.345 -1.268) 1.926 7.098 ( -0.731 0.220 0.336) 0.834 7.735 ( -1.064 0.732 -0.811) 1.525 8.099 ( -4.241 -0.865 -1.787) 4.683 8.595 ( 1.598 0.811 3.652) 4.068 8.985 ( -1.972 3.616 -0.093) 4.119 9.035 ( -0.540 1.298 -0.723) 1.581 9.305 ( -4.252 -3.456 -3.071) 6.281 9.488 ( 2.120 -1.171 1.111) 2.664 9.687 ( 1.007 -0.644 -0.488) 1.291 10.309 ( 1.892 -5.886 -1.221) 6.302 10.702 ( -0.022 4.158 -0.711) 4.218 11.087 ( -0.869 -2.440 -10.889) 11.193 11.166 ( -0.346 -0.235 4.515) 4.534 11.205 ( 0.344 0.962 13.365) 13.404 11.608 ( 2.920 4.352 -2.211) 5.688 11.797 ( -0.229 -3.872 -2.312) 4.515 11.859 ( 5.634 1.247 0.345) 5.780 12.588 ( 5.131 0.334 -0.191) 5.146 12.636 ( -3.442 -1.153 -0.144) 3.633 13.107 ( -0.614 0.254 -0.511) 0.838 13.472 ( -0.278 -1.103 0.434) 1.218 13.908 ( 4.527 -0.219 0.610) 4.574 15.440 ( -8.795 2.576 -0.846) 9.203 15.601 ( 1.828 1.745 -1.476) 2.927 16.169 ( -1.040 -0.104 0.012) 1.045 ======================= Grid point 13 (9/160) ======================= q-point: (-0.56 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.614 2.466 -4.224) 4.929 1.584 ( 4.340 2.045 -3.558) 5.973 1.845 ( 3.614 3.099 3.321) 5.805 2.254 ( -5.948 -3.081 -4.503) 8.071 2.331 ( -6.361 -1.760 -2.933) 7.222 2.559 ( 0.244 -1.952 4.986) 5.360 2.697 ( -3.922 1.231 5.810) 7.117 2.866 ( -4.170 0.245 0.444) 4.201 3.082 ( -6.576 -1.519 9.060) 11.298 3.151 ( -0.362 -0.548 -1.775) 1.893 3.339 ( 3.671 5.402 -3.472) 7.397 3.380 ( 4.399 2.480 -1.555) 5.284 3.577 ( -0.830 4.382 -1.041) 4.580 3.601 ( 7.653 1.552 -3.883) 8.721 3.970 ( -0.742 -3.396 1.271) 3.701 4.001 ( -0.358 -3.151 -2.543) 4.064 4.034 ( -6.700 -1.685 -3.219) 7.621 4.415 ( 1.028 0.283 1.914) 2.191 4.498 ( -2.425 -15.058 1.660) 15.342 4.882 ( -1.386 3.604 9.897) 10.623 5.001 ( 4.213 0.431 -6.166) 7.480 5.095 ( -0.052 1.526 0.296) 1.555 5.311 ( 1.358 7.118 -4.152) 8.351 5.614 ( -0.559 -1.715 -0.430) 1.854 5.856 ( 0.392 0.965 1.141) 1.545 5.965 ( 0.181 -0.312 0.441) 0.570 6.253 ( 0.787 -0.284 1.326) 1.568 6.569 ( 0.447 0.107 -0.671) 0.813 6.816 ( 3.755 0.409 -0.883) 3.879 7.090 ( -0.070 -0.096 0.158) 0.198 7.713 ( -1.065 -0.173 -0.614) 1.241 8.066 ( -1.681 -2.522 -0.095) 3.032 8.605 ( 0.662 1.327 2.349) 2.778 8.934 ( -0.983 1.686 -0.686) 2.069 9.021 ( -0.819 -0.088 0.473) 0.949 9.271 ( -3.943 -4.371 -3.869) 7.044 9.543 ( 4.369 0.730 2.317) 4.999 9.692 ( -1.160 -0.632 -0.210) 1.338 10.387 ( 1.373 -3.540 -0.700) 3.861 10.656 ( -0.738 3.178 -0.224) 3.271 11.090 ( -1.262 -2.411 -11.176) 11.503 11.155 ( -1.695 -0.816 4.896) 5.245 11.206 ( 0.701 1.178 12.417) 12.492 11.602 ( 1.234 3.816 -2.548) 4.752 11.809 ( -1.603 -1.519 -2.018) 2.991 11.911 ( 3.027 2.114 0.392) 3.713 12.586 ( -1.451 0.228 -0.029) 1.469 12.725 ( 10.675 3.327 -0.787) 11.209 13.098 ( -0.136 -0.040 0.621) 0.637 13.487 ( 0.781 -0.961 0.241) 1.262 13.920 ( -3.021 0.301 -0.558) 3.086 15.253 ( -13.855 -4.294 0.972) 14.538 15.628 ( 3.319 2.020 -0.933) 3.996 16.172 ( 1.348 0.026 0.089) 1.351 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -7.496 7.080 -3.501) 10.889 1.451 ( -9.886 11.463 0.268) 15.139 1.829 ( -1.351 6.990 -2.728) 7.624 2.147 ( -13.540 1.818 3.423) 14.084 2.221 ( -7.233 -7.342 -5.373) 11.623 2.588 ( -2.769 -3.919 4.372) 6.491 2.678 ( 4.052 -3.204 7.660) 9.239 2.824 ( -3.683 0.254 1.566) 4.010 2.892 ( -10.441 -2.032 8.175) 13.415 3.162 ( -0.236 6.394 -1.638) 6.604 3.358 ( 1.465 0.785 1.521) 2.253 3.428 ( 2.058 1.454 -4.575) 5.223 3.555 ( 3.644 -1.457 0.443) 3.950 3.665 ( 2.077 5.301 -8.480) 10.214 3.873 ( -4.841 -1.194 -3.714) 6.217 4.063 ( 0.262 -7.210 -0.624) 7.241 4.080 ( 3.650 -4.974 -2.913) 6.822 4.441 ( 3.007 1.199 2.864) 4.323 4.596 ( -1.202 -9.472 1.196) 9.623 4.870 ( 2.807 1.194 10.598) 11.028 5.066 ( -0.550 0.233 -1.632) 1.738 5.094 ( 3.968 -1.586 -6.448) 7.735 5.260 ( 0.174 6.415 -5.093) 8.193 5.615 ( -0.466 -0.527 1.609) 1.756 5.848 ( -0.183 1.120 0.583) 1.276 5.967 ( -0.009 0.249 -0.026) 0.250 6.278 ( 1.261 -0.412 1.975) 2.379 6.584 ( 1.886 0.377 -0.780) 2.075 6.889 ( 6.542 2.407 -0.388) 6.981 7.097 ( 0.511 -0.507 -0.151) 0.736 7.705 ( -0.774 -1.412 -0.384) 1.656 8.089 ( 0.600 -4.060 1.170) 4.268 8.592 ( -0.916 0.930 0.775) 1.518 8.908 ( -1.335 0.097 -0.404) 1.398 9.009 ( -0.864 -0.373 1.448) 1.727 9.261 ( -2.624 -5.090 -4.485) 7.274 9.620 ( 5.598 1.317 3.175) 6.570 9.660 ( -2.892 -0.135 -0.102) 2.897 10.410 ( 0.745 2.582 -0.508) 2.735 10.639 ( 1.086 -0.082 0.793) 1.347 11.086 ( -1.672 -2.163 -9.385) 9.775 11.129 ( -2.447 -1.291 4.256) 5.077 11.211 ( 1.018 1.250 9.701) 9.834 11.578 ( -0.028 3.277 -2.326) 4.019 11.770 ( -3.311 0.458 -2.110) 3.952 11.942 ( 3.786 2.620 0.616) 4.646 12.582 ( 1.833 1.081 0.288) 2.148 12.847 ( 8.391 6.232 -2.005) 10.643 13.104 ( 0.624 -0.250 2.080) 2.186 13.511 ( 0.895 -0.184 0.026) 0.914 13.814 ( -7.258 2.093 -1.513) 7.703 15.067 ( -17.642 -12.691 2.681) 21.897 15.668 ( 3.328 1.620 -0.373) 3.720 16.209 ( 2.959 0.198 0.107) 2.967 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -9.047 11.871 -5.011) 15.745 1.107 ( -15.533 13.227 -0.714) 20.414 1.656 ( -7.626 10.614 -0.124) 13.070 1.789 ( -19.995 12.247 5.876) 24.173 2.182 ( -8.761 -11.410 -5.257) 15.316 2.569 ( -3.848 -2.012 6.405) 7.738 2.667 ( -8.392 -2.885 6.778) 11.166 2.827 ( 5.817 -2.058 5.358) 8.172 2.852 ( -0.797 0.848 -3.618) 3.801 3.081 ( -0.713 3.237 2.432) 4.111 3.301 ( -5.665 1.291 2.274) 6.239 3.423 ( -1.153 -0.237 -7.643) 7.733 3.603 ( -1.006 3.192 -10.007) 10.552 3.745 ( 9.514 -6.840 2.626) 12.008 3.894 ( 5.480 -0.796 -1.675) 5.786 4.123 ( -0.680 -6.048 -0.149) 6.088 4.214 ( 5.214 -6.434 -3.710) 9.075 4.490 ( 4.312 2.130 2.917) 5.625 4.640 ( -0.472 -3.396 0.523) 3.468 4.933 ( 3.940 0.043 12.586) 13.189 5.032 ( -1.631 1.281 0.159) 2.080 5.173 ( -2.606 -5.976 -4.698) 8.036 5.190 ( 0.264 4.881 -10.054) 11.180 5.616 ( 1.064 1.288 0.598) 1.775 5.831 ( -0.596 0.589 0.288) 0.886 5.960 ( -0.203 0.677 0.366) 0.797 6.293 ( -0.163 -0.472 1.672) 1.745 6.627 ( 3.636 0.672 -0.780) 3.779 6.987 ( 8.661 4.061 -0.520) 9.580 7.113 ( 0.715 -0.501 -0.018) 0.874 7.711 ( -0.631 -2.106 -0.203) 2.208 8.162 ( 2.044 -5.831 1.308) 6.315 8.557 ( -3.148 -0.845 -1.797) 3.722 8.882 ( -1.486 0.467 1.917) 2.470 9.002 ( -1.057 -1.633 1.161) 2.265 9.259 ( -3.992 -5.021 -3.814) 7.463 9.592 ( -4.639 0.223 0.643) 4.688 9.712 ( 6.953 2.332 2.678) 7.807 10.384 ( 2.604 7.137 -0.484) 7.613 10.698 ( 4.584 -1.681 1.809) 5.207 11.070 ( -2.365 -1.921 -6.082) 6.802 11.104 ( -2.199 -1.657 2.686) 3.846 11.219 ( 1.089 1.245 5.304) 5.555 11.536 ( -1.123 3.193 -1.550) 3.722 11.702 ( -3.172 1.521 -2.220) 4.160 12.005 ( 8.278 4.465 0.582) 9.423 12.628 ( 4.825 1.300 0.462) 5.018 12.883 ( 3.054 5.623 -2.295) 6.798 13.122 ( 1.053 -0.236 2.761) 2.964 13.477 ( -6.859 -0.124 -0.602) 6.887 13.678 ( -2.671 5.787 -1.728) 6.604 14.899 ( -21.845 -20.546 4.829) 30.375 15.704 ( 2.523 1.293 -0.016) 2.835 16.260 ( 3.194 0.285 0.060) 3.207 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -10.887 13.571 -6.138) 18.449 0.705 ( -12.241 17.136 -3.404) 21.332 1.233 ( -20.604 24.528 9.747) 33.484 1.456 ( -5.519 10.259 -1.460) 11.741 2.128 ( -11.613 -12.626 -6.742) 18.432 2.519 ( -2.079 -1.090 9.929) 10.203 2.593 ( -4.620 -1.478 0.062) 4.851 2.807 ( -2.280 1.772 -6.025) 6.682 2.878 ( 0.989 2.965 0.572) 3.177 3.115 ( 1.662 -3.380 6.771) 7.748 3.221 ( -1.712 -1.981 3.660) 4.500 3.396 ( -1.499 0.840 -9.328) 9.485 3.558 ( -1.910 0.776 -5.137) 5.535 3.968 ( 8.244 -5.811 2.502) 10.391 4.044 ( 10.083 -0.421 -2.515) 10.401 4.167 ( 1.385 -4.989 -1.829) 5.492 4.364 ( 4.147 -6.679 -1.526) 8.009 4.546 ( 4.713 1.590 2.277) 5.470 4.653 ( -0.182 -0.447 -0.007) 0.483 4.969 ( -1.865 -0.684 18.240) 18.348 4.998 ( -0.255 2.135 1.087) 2.410 5.084 ( -4.645 2.583 -3.010) 6.108 5.198 ( -3.401 -5.275 -13.464) 14.855 5.622 ( 1.481 2.497 -3.511) 4.556 5.824 ( -0.072 -0.572 0.263) 0.634 5.948 ( -0.340 0.762 1.472) 1.692 6.288 ( -0.692 -0.388 0.907) 1.205 6.680 ( 3.011 0.820 -0.596) 3.177 7.084 ( 4.138 1.988 -1.290) 4.768 7.154 ( 7.706 2.675 0.760) 8.192 7.722 ( -0.395 -2.060 0.043) 2.098 8.251 ( -0.081 -7.094 -1.196) 7.195 8.494 ( -7.140 -3.672 -3.190) 8.639 8.844 ( -1.334 2.966 4.879) 5.863 9.009 ( -0.840 -3.362 -0.042) 3.465 9.216 ( -4.958 -2.884 -1.685) 5.978 9.507 ( -4.383 0.710 0.186) 4.444 9.813 ( 7.024 1.672 2.198) 7.548 10.365 ( 3.626 8.515 -0.426) 9.265 10.822 ( 7.865 -1.842 3.552) 8.824 11.046 ( -2.414 -2.073 -6.023) 6.812 11.090 ( -1.464 -1.710 2.082) 3.066 11.223 ( 0.846 1.424 1.418) 2.180 11.482 ( -1.326 3.316 -0.489) 3.605 11.645 ( -1.508 1.538 -1.548) 2.652 12.174 ( 20.667 7.360 -0.858) 21.956 12.720 ( 7.828 1.771 0.325) 8.032 12.855 ( -0.822 3.202 -1.544) 3.649 13.142 ( 0.731 0.118 3.074) 3.162 13.293 ( -12.709 0.801 -1.682) 12.845 13.605 ( -1.339 4.562 -1.178) 4.898 14.681 ( -31.175 -22.984 7.304) 39.414 15.726 ( 1.401 1.106 0.124) 1.789 16.305 ( 2.202 0.274 0.026) 2.219 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -0.000 15.500 0.000) 15.500 0.435 ( -0.000 22.212 0.000) 22.212 0.710 ( -0.000 35.412 0.000) 35.412 1.321 ( -0.000 7.492 0.000) 7.492 2.063 ( 0.000 -5.928 -0.000) 5.928 2.534 ( 0.000 -1.603 -0.000) 1.603 2.540 ( -0.000 0.072 0.000) 0.072 2.764 ( -0.000 1.444 0.000) 1.444 2.844 ( -0.000 4.182 0.000) 4.182 3.146 ( 0.000 -3.173 -0.000) 3.173 3.284 ( 0.000 -5.614 -0.000) 5.614 3.350 ( -0.000 3.469 0.000) 3.469 3.532 ( -0.000 0.017 0.000) 0.017 4.072 ( 0.000 -0.723 -0.000) 0.723 4.134 ( 0.000 -3.937 -0.000) 3.937 4.370 ( 0.000 -10.854 -0.000) 10.854 4.444 ( 0.000 -2.906 -0.000) 2.906 4.612 ( 0.000 -2.101 -0.000) 2.101 4.654 ( -0.000 1.288 0.000) 1.288 4.862 ( -0.000 1.412 0.000) 1.412 4.971 ( -0.000 4.417 0.000) 4.417 5.023 ( -0.000 0.826 0.000) 0.826 5.194 ( 0.000 -2.251 -0.000) 2.251 5.609 ( -0.000 2.494 0.000) 2.494 5.837 ( 0.000 -1.238 -0.000) 1.238 5.937 ( -0.000 0.735 0.000) 0.735 6.284 ( 0.000 -0.226 -0.000) 0.226 6.700 ( -0.000 0.704 0.000) 0.704 7.095 ( -0.000 0.351 0.000) 0.351 7.287 ( 0.000 -0.753 -0.000) 0.753 7.737 ( 0.000 -1.541 -0.000) 1.541 8.235 ( 0.000 -0.428 -0.000) 0.428 8.449 ( 0.000 -5.563 -0.000) 5.563 8.781 ( -0.000 6.524 0.000) 6.524 9.038 ( 0.000 -3.603 -0.000) 3.603 9.183 ( 0.000 -0.882 -0.000) 0.882 9.457 ( -0.000 0.725 0.000) 0.725 9.887 ( 0.000 -0.838 -0.000) 0.838 10.323 ( -0.000 7.314 0.000) 7.314 10.967 ( 0.000 -5.414 -0.000) 5.414 11.029 ( 0.000 -1.308 -0.000) 1.308 11.092 ( 0.000 -1.472 -0.000) 1.472 11.218 ( -0.000 1.574 0.000) 1.574 11.438 ( -0.000 2.947 0.000) 2.947 11.620 ( -0.000 1.195 0.000) 1.195 12.562 ( 0.000 -8.832 -0.000) 8.832 12.813 ( -0.000 1.440 0.000) 1.440 12.918 ( -0.000 7.682 0.000) 7.682 12.929 ( -0.000 2.221 0.000) 2.221 13.187 ( 0.000 -1.346 -0.000) 1.346 13.541 ( -0.000 1.501 0.000) 1.501 14.341 ( 0.000 -2.149 -0.000) 2.149 15.729 ( -0.000 0.831 0.000) 0.831 16.324 ( -0.000 0.127 0.000) 0.127 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 9.026 -0.000 -9.162) 12.861 1.322 ( 17.347 -0.000 -5.947) 18.338 1.727 ( 11.190 -0.000 8.305) 13.935 2.262 ( 7.674 -0.000 -2.873) 8.194 2.440 ( -10.699 0.000 -3.089) 11.136 2.585 ( -4.940 0.000 -0.757) 4.998 2.784 ( -1.553 0.000 3.270) 3.620 2.967 ( -0.926 0.000 2.274) 2.455 2.974 ( 5.353 -0.000 -2.277) 5.818 3.189 ( 5.942 -0.000 -6.389) 8.725 3.401 ( 0.741 -0.000 4.357) 4.419 3.421 ( 5.241 -0.000 2.491) 5.803 3.430 ( 0.159 -0.000 -2.682) 2.687 3.718 ( -2.067 0.000 3.810) 4.335 3.891 ( -0.122 0.000 1.295) 1.301 4.011 ( -5.323 0.000 -2.031) 5.697 4.185 ( -7.864 0.000 -3.407) 8.571 4.240 ( -7.715 0.000 3.542) 8.489 4.407 ( 0.290 -0.000 1.803) 1.827 4.932 ( 4.538 -0.000 -0.331) 4.550 4.997 ( -3.941 0.000 3.039) 4.977 5.121 ( 1.052 -0.000 2.681) 2.880 5.484 ( -1.079 0.000 -2.008) 2.279 5.545 ( 0.997 -0.000 -3.580) 3.716 5.861 ( 0.878 -0.000 1.283) 1.555 5.949 ( 0.250 -0.000 1.132) 1.159 6.255 ( -1.466 0.000 0.594) 1.582 6.568 ( -0.221 0.000 -0.602) 0.642 6.759 ( 1.615 -0.000 -1.672) 2.324 7.100 ( -0.833 0.000 0.377) 0.914 7.743 ( -1.406 0.000 -1.081) 1.774 8.087 ( -5.395 0.000 -2.123) 5.797 8.605 ( 2.026 -0.000 4.741) 5.156 9.014 ( -0.646 0.000 1.047) 1.231 9.085 ( -5.178 0.000 -0.405) 5.194 9.238 ( -4.662 0.000 -6.511) 8.008 9.477 ( 4.290 -0.000 1.722) 4.623 9.680 ( 0.983 -0.000 -0.280) 1.022 10.246 ( 3.377 -0.000 -1.325) 3.628 10.748 ( -0.894 0.000 -0.798) 1.198 11.059 ( -0.513 0.000 -11.195) 11.207 11.161 ( -0.867 0.000 4.738) 4.816 11.217 ( 0.349 -0.000 15.568) 15.572 11.690 ( 4.547 -0.000 -2.753) 5.315 11.724 ( -0.467 0.000 -2.908) 2.945 11.873 ( 6.457 -0.000 0.096) 6.458 12.593 ( 6.804 -0.000 0.038) 6.804 12.624 ( -3.118 0.000 -0.587) 3.173 13.109 ( -0.758 0.000 -0.521) 0.919 13.460 ( -0.265 0.000 0.539) 0.600 13.906 ( 4.725 -0.000 0.631) 4.767 15.460 ( -12.624 0.000 -0.178) 12.625 15.628 ( 1.889 -0.000 -2.585) 3.202 16.167 ( -0.993 0.000 0.034) 0.993 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.662 1.060 -7.514) 7.768 1.594 ( 13.426 -0.306 -6.645) 14.983 1.905 ( 8.226 2.253 7.915) 11.636 2.227 ( -9.634 0.450 -6.967) 11.897 2.277 ( -7.770 -3.163 -4.634) 9.584 2.526 ( -2.349 -1.064 6.180) 6.697 2.719 ( -7.512 0.675 6.817) 10.167 2.885 ( -4.082 1.131 1.260) 4.420 3.055 ( -6.075 -0.983 9.069) 10.960 3.133 ( 1.215 -0.761 -2.311) 2.719 3.412 ( 2.010 2.613 -3.747) 4.991 3.510 ( 5.906 8.115 0.520) 10.050 3.558 ( 8.019 -1.999 -8.739) 12.028 3.702 ( 1.575 0.406 1.009) 1.914 3.899 ( -0.184 1.430 1.463) 2.054 3.943 ( -2.244 -1.656 -2.945) 4.056 4.042 ( -8.971 1.210 -3.955) 9.879 4.197 ( -3.717 -14.022 3.509) 14.924 4.421 ( 1.622 0.182 2.881) 3.311 4.922 ( -2.950 0.819 7.419) 8.026 5.015 ( 4.368 0.756 -3.895) 5.901 5.122 ( -0.368 0.871 1.202) 1.529 5.450 ( 1.096 6.084 -4.326) 7.545 5.564 ( -0.935 -3.329 -2.079) 4.035 5.875 ( 0.965 0.698 2.040) 2.362 5.957 ( 0.374 -0.361 1.061) 1.181 6.248 ( 0.584 -0.185 1.741) 1.846 6.570 ( 0.585 0.055 -1.058) 1.210 6.818 ( 5.166 -0.003 -1.626) 5.416 7.089 ( -0.371 0.006 0.364) 0.520 7.712 ( -1.984 0.051 -1.209) 2.324 8.024 ( -2.730 -1.340 -0.335) 3.059 8.626 ( 0.567 0.654 4.021) 4.113 8.984 ( -1.914 2.974 0.188) 3.542 9.021 ( -1.339 -0.263 0.340) 1.407 9.178 ( -4.744 -4.067 -6.148) 8.766 9.548 ( 4.246 0.001 2.451) 4.903 9.680 ( -1.125 -0.418 -0.266) 1.229 10.337 ( 6.111 -1.287 -0.918) 6.312 10.703 ( -3.118 1.295 -1.086) 3.546 11.053 ( -0.627 -1.108 -10.776) 10.851 11.139 ( -1.975 -0.493 5.167) 5.553 11.224 ( 0.522 0.518 14.758) 14.777 11.684 ( 0.467 4.121 -3.155) 5.211 11.767 ( 0.502 -2.859 -2.819) 4.046 11.940 ( 2.224 0.772 0.282) 2.371 12.590 ( -0.617 0.138 -0.295) 0.698 12.781 ( 14.664 1.872 -1.187) 14.830 13.099 ( -0.261 0.052 1.014) 1.048 13.464 ( 0.313 -0.909 0.479) 1.074 13.924 ( -2.153 0.146 -0.578) 2.234 15.196 ( -18.825 -1.460 0.494) 18.888 15.660 ( 2.615 0.978 -1.237) 3.053 16.172 ( 1.479 -0.006 0.128) 1.484 ======================= Grid point 22 (16/160) ======================= q-point: (-0.56 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -4.094 3.980 -6.178) 8.413 1.677 ( -2.377 11.112 -1.891) 11.519 1.910 ( 0.216 1.436 -3.371) 3.670 2.112 ( -10.479 -4.682 -3.921) 12.128 2.162 ( -6.301 0.663 1.916) 6.620 2.525 ( -2.337 -2.353 4.955) 5.962 2.600 ( -1.752 -4.296 6.711) 8.158 2.834 ( -8.889 0.319 6.631) 11.094 2.868 ( -4.528 -0.277 4.522) 6.406 3.251 ( 6.520 1.636 -0.022) 6.722 3.392 ( -1.123 4.023 -2.068) 4.661 3.499 ( 2.641 5.534 -1.092) 6.228 3.567 ( -3.526 1.720 -3.004) 4.941 3.778 ( 6.568 3.620 -3.886) 8.447 3.841 ( -11.023 -0.479 -5.873) 12.499 3.924 ( -1.143 -5.398 2.159) 5.925 3.965 ( 1.683 -5.705 -5.432) 8.056 4.347 ( 2.397 -14.022 1.985) 14.363 4.468 ( 4.595 0.899 3.333) 5.747 4.893 ( 0.682 0.819 7.611) 7.685 5.062 ( 1.521 0.559 -3.997) 4.313 5.103 ( -0.349 0.849 -0.570) 1.081 5.396 ( -0.440 6.604 -4.663) 8.096 5.583 ( -0.065 -2.694 -0.886) 2.837 5.877 ( 0.506 1.591 1.862) 2.501 5.967 ( 0.353 -0.213 0.513) 0.658 6.269 ( 0.992 -0.478 2.558) 2.785 6.591 ( 2.249 0.282 -1.161) 2.547 6.923 ( 7.615 1.078 -1.102) 7.769 7.090 ( 0.262 -0.249 0.061) 0.367 7.683 ( -1.763 -0.830 -1.068) 2.222 8.019 ( -0.345 -2.801 1.061) 3.015 8.610 ( -1.672 0.880 3.045) 3.583 8.929 ( -1.529 1.693 -1.483) 2.721 9.006 ( -1.443 -0.365 2.643) 3.033 9.156 ( -2.810 -4.849 -6.145) 8.317 9.623 ( 2.928 -0.550 3.491) 4.589 9.657 ( -0.502 -0.148 -0.608) 0.802 10.458 ( 8.017 2.252 -1.000) 8.388 10.639 ( -2.731 -0.083 -0.707) 2.823 11.051 ( -0.852 -1.240 -8.934) 9.059 11.108 ( -2.559 -0.821 4.440) 5.190 11.231 ( 0.707 0.734 12.656) 12.697 11.648 ( -0.275 3.621 -2.913) 4.656 11.771 ( -1.883 -0.611 -2.777) 3.410 11.964 ( 1.871 -0.014 0.429) 1.920 12.602 ( 2.587 0.838 0.176) 2.725 12.964 ( 8.717 4.920 -5.009) 11.193 13.109 ( 2.085 0.904 4.891) 5.393 13.489 ( 0.489 -1.881 0.387) 1.981 13.857 ( -3.380 1.979 -1.439) 4.173 14.872 ( -23.682 -7.081 1.366) 24.756 15.696 ( 2.848 1.155 -0.426) 3.102 16.212 ( 3.065 0.104 0.144) 3.070 ======================= Grid point 23 (17/160) ======================= q-point: (-0.44 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -7.931 7.380 -6.316) 12.540 1.389 ( -12.011 15.136 -2.035) 19.429 1.848 ( -5.667 8.532 -0.964) 10.288 1.953 ( -11.102 0.807 3.564) 11.688 2.021 ( -7.513 -2.065 -1.704) 7.976 2.534 ( 0.903 -1.529 4.515) 4.851 2.620 ( -9.661 -1.913 6.680) 11.900 2.737 ( 4.565 -6.481 7.071) 10.622 2.873 ( 1.534 1.213 -0.617) 2.051 3.185 ( -5.562 7.152 -3.496) 9.711 3.331 ( -6.588 1.739 0.469) 6.830 3.452 ( 0.644 3.054 -3.055) 4.368 3.636 ( 8.185 -3.973 2.597) 9.461 3.666 ( -5.281 2.677 -6.169) 8.550 3.852 ( 2.606 -2.813 -1.833) 4.250 3.977 ( -0.923 -8.253 -0.605) 8.327 4.081 ( 3.758 -6.876 -4.754) 9.165 4.491 ( 2.686 -6.290 2.588) 7.312 4.557 ( 5.830 -0.166 1.546) 6.034 4.926 ( 2.581 -0.054 8.241) 8.636 5.055 ( -0.648 0.520 -1.652) 1.849 5.097 ( -1.109 -1.194 -4.770) 5.041 5.302 ( -3.513 5.425 -3.950) 7.575 5.614 ( 1.370 -1.354 -0.779) 2.077 5.861 ( -0.203 2.209 1.088) 2.471 5.971 ( 0.137 0.341 0.277) 0.460 6.281 ( -0.402 -0.740 2.340) 2.487 6.641 ( 3.947 0.641 -0.904) 4.100 7.047 ( 8.515 2.144 -0.694) 8.808 7.101 ( 0.699 -0.612 -0.187) 0.948 7.671 ( -1.180 -1.878 -0.810) 2.361 8.063 ( 1.268 -4.179 1.501) 4.618 8.556 ( -3.736 0.766 1.183) 3.993 8.902 ( -0.282 0.588 -1.080) 1.262 8.975 ( -3.092 -1.269 3.052) 4.527 9.162 ( -1.924 -4.113 -4.767) 6.583 9.591 ( -4.047 -0.370 0.809) 4.144 9.732 ( 6.014 0.300 2.082) 6.371 10.522 ( 3.973 5.839 -1.167) 7.159 10.665 ( 5.790 -0.773 -0.574) 5.870 11.040 ( -1.638 -0.881 -4.687) 5.043 11.075 ( -2.259 -1.215 2.331) 3.466 11.238 ( 0.761 0.787 8.891) 8.958 11.603 ( -0.902 3.504 -2.187) 4.228 11.725 ( -2.894 0.772 -2.614) 3.976 12.025 ( 4.948 -1.654 0.411) 5.234 12.662 ( 6.080 1.886 0.529) 6.388 12.984 ( 0.245 4.085 -5.105) 6.543 13.129 ( 0.892 1.200 4.843) 5.069 13.472 ( -4.778 -0.385 0.003) 4.794 13.800 ( 0.906 6.684 -1.453) 6.900 14.564 ( -23.985 -14.269 2.470) 28.017 15.730 ( 2.400 1.234 -0.011) 2.698 16.265 ( 3.195 0.200 0.083) 3.202 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -13.205 9.179 -4.565) 16.718 1.071 ( -4.568 18.735 -4.791) 19.870 1.603 ( -9.719 11.924 6.682) 16.772 1.732 ( -4.636 17.019 2.320) 17.791 1.933 ( -8.126 -7.208 -4.780) 11.867 2.497 ( -3.612 -1.185 8.822) 9.606 2.569 ( -0.893 -0.681 0.512) 1.234 2.845 ( -0.361 0.517 -2.781) 2.851 2.892 ( 3.083 -1.528 2.116) 4.040 3.071 ( -1.455 0.393 0.533) 1.598 3.189 ( -7.128 -0.536 -0.816) 7.194 3.439 ( 1.208 3.317 -2.654) 4.416 3.582 ( -2.625 1.697 -4.326) 5.338 3.846 ( 8.859 -6.465 4.321) 11.788 3.962 ( 4.390 -7.332 -2.022) 8.782 4.029 ( -2.195 -7.886 -1.670) 8.355 4.216 ( 3.229 -8.336 -2.114) 9.186 4.580 ( 4.970 0.466 2.850) 5.748 4.637 ( 2.902 -0.159 -0.471) 2.945 4.935 ( -3.601 -1.236 6.487) 7.521 5.048 ( 1.089 2.339 2.488) 3.584 5.094 ( -0.523 -2.795 -5.120) 5.857 5.181 ( -4.992 3.665 -4.734) 7.795 5.648 ( 1.390 -0.306 -1.046) 1.767 5.834 ( -0.452 1.864 0.377) 1.955 5.965 ( -0.082 0.834 0.345) 0.906 6.276 ( -0.811 -0.813 1.332) 1.758 6.697 ( 3.119 0.854 -0.538) 3.279 7.101 ( 0.533 0.286 -0.441) 0.749 7.185 ( 7.679 0.784 -0.202) 7.722 7.677 ( -0.561 -2.434 -0.357) 2.523 8.132 ( 0.971 -5.257 0.790) 5.404 8.475 ( -4.639 1.109 -0.549) 4.801 8.899 ( 0.346 1.453 1.361) 2.020 8.941 ( -2.847 -3.451 0.786) 4.543 9.161 ( -1.681 -2.230 -2.396) 3.680 9.520 ( -3.744 0.581 0.427) 3.812 9.825 ( 4.679 0.055 1.459) 4.902 10.524 ( 3.035 5.658 -0.635) 6.452 10.790 ( 7.723 1.039 -0.839) 7.838 11.015 ( -1.996 -0.957 -1.379) 2.608 11.058 ( -1.448 -1.447 1.362) 2.460 11.244 ( 0.543 0.763 3.914) 4.025 11.550 ( -1.166 3.516 -1.174) 3.886 11.672 ( -1.837 1.109 -1.790) 2.794 12.178 ( 9.711 -4.626 0.004) 10.757 12.780 ( 11.491 3.614 0.360) 12.052 12.917 ( -3.157 2.992 -2.603) 5.069 13.133 ( 0.038 -0.932 2.564) 2.729 13.335 ( -10.182 3.127 0.075) 10.652 13.696 ( -6.693 4.764 -1.193) 8.301 14.364 ( -14.896 -11.925 2.870) 19.296 15.750 ( 1.403 1.300 0.114) 1.916 16.310 ( 2.086 0.202 0.022) 2.096 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 12.716 0.000) 12.716 0.852 ( -0.000 20.655 0.000) 20.655 1.324 ( -0.000 25.355 0.000) 25.355 1.524 ( -0.000 14.643 0.000) 14.643 1.924 ( 0.000 -7.768 -0.000) 7.768 2.493 ( 0.000 -2.418 -0.000) 2.418 2.549 ( -0.000 0.987 0.000) 0.987 2.810 ( -0.000 2.955 0.000) 2.955 2.915 ( -0.000 2.129 0.000) 2.129 3.090 ( 0.000 -2.261 -0.000) 2.261 3.159 ( 0.000 -6.176 -0.000) 6.176 3.419 ( -0.000 3.577 0.000) 3.577 3.541 ( -0.000 1.013 0.000) 1.013 4.018 ( 0.000 -4.902 -0.000) 4.902 4.030 ( 0.000 -6.461 -0.000) 6.461 4.134 ( 0.000 -12.869 -0.000) 12.869 4.328 ( 0.000 -8.353 -0.000) 8.353 4.621 ( -0.000 2.478 0.000) 2.478 4.670 ( -0.000 0.449 0.000) 0.449 4.871 ( 0.000 -0.499 -0.000) 0.499 5.056 ( -0.000 2.470 0.000) 2.470 5.057 ( -0.000 4.152 0.000) 4.152 5.140 ( 0.000 -3.061 -0.000) 3.061 5.655 ( -0.000 1.449 0.000) 1.449 5.820 ( -0.000 0.130 0.000) 0.130 5.955 ( -0.000 1.016 0.000) 1.016 6.276 ( 0.000 -0.667 -0.000) 0.667 6.717 ( -0.000 0.927 0.000) 0.927 7.102 ( -0.000 0.259 0.000) 0.259 7.270 ( 0.000 -0.963 -0.000) 0.963 7.697 ( 0.000 -2.458 -0.000) 2.458 8.185 ( 0.000 -4.580 -0.000) 4.580 8.407 ( -0.000 1.240 0.000) 1.240 8.879 ( -0.000 3.000 0.000) 3.000 8.957 ( 0.000 -4.239 -0.000) 4.239 9.158 ( 0.000 -1.267 -0.000) 1.267 9.475 ( -0.000 1.056 0.000) 1.056 9.872 ( 0.000 -0.618 -0.000) 0.618 10.490 ( -0.000 8.313 0.000) 8.313 10.871 ( 0.000 -2.798 -0.000) 2.798 11.004 ( 0.000 -1.072 -0.000) 1.072 11.059 ( 0.000 -1.719 -0.000) 1.719 11.242 ( -0.000 0.837 0.000) 0.837 11.504 ( -0.000 3.588 0.000) 3.588 11.646 ( -0.000 1.248 0.000) 1.248 12.380 ( 0.000 -9.891 -0.000) 9.891 12.850 ( -0.000 2.307 0.000) 2.307 12.985 ( -0.000 3.247 0.000) 3.247 13.059 ( -0.000 6.636 0.000) 6.636 13.153 ( 0.000 -2.015 -0.000) 2.015 13.577 ( -0.000 2.096 0.000) 2.096 14.286 ( 0.000 -3.270 -0.000) 3.270 15.750 ( -0.000 1.273 0.000) 1.273 16.327 ( -0.000 0.163 0.000) 0.163 ======================= Grid point 30 (20/160) ======================= q-point: (-0.67 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -3.095 0.000 -6.749) 7.425 1.807 ( 11.051 -0.000 -6.702) 12.925 1.933 ( -10.837 0.000 3.042) 11.255 2.034 ( -10.993 0.000 -7.095) 13.084 2.174 ( -1.665 0.000 1.323) 2.126 2.502 ( 0.532 -0.000 5.470) 5.496 2.551 ( -8.076 0.000 6.703) 10.495 2.833 ( -14.229 0.000 9.541) 17.132 2.871 ( 0.680 -0.000 2.095) 2.203 3.257 ( 8.663 -0.000 1.353) 8.768 3.445 ( 0.444 -0.000 -2.646) 2.683 3.587 ( -4.591 0.000 -6.860) 8.255 3.629 ( -0.286 0.000 -1.313) 1.343 3.682 ( -0.120 0.000 -0.134) 0.180 3.855 ( -6.464 0.000 -4.173) 7.694 3.901 ( 0.114 -0.000 -5.474) 5.475 3.976 ( -5.153 0.000 2.456) 5.708 4.138 ( 9.646 -0.000 -0.252) 9.649 4.478 ( 5.061 -0.000 3.563) 6.190 4.900 ( 0.072 -0.000 6.427) 6.428 5.075 ( 1.771 -0.000 -3.290) 3.736 5.109 ( -1.386 0.000 0.028) 1.386 5.489 ( -4.234 0.000 -0.574) 4.273 5.527 ( 2.899 -0.000 -5.347) 6.082 5.895 ( 0.817 -0.000 2.408) 2.543 5.963 ( 0.552 -0.000 0.792) 0.965 6.264 ( 0.865 -0.000 2.699) 2.834 6.594 ( 2.385 -0.000 -1.316) 2.724 6.933 ( 7.948 -0.000 -1.396) 8.070 7.088 ( 0.174 -0.000 0.186) 0.255 7.674 ( -2.237 0.000 -1.374) 2.625 7.991 ( -0.427 0.000 1.142) 1.219 8.620 ( -1.677 0.000 3.847) 4.196 8.972 ( -2.532 0.000 -2.049) 3.257 8.974 ( -3.146 0.000 2.552) 4.051 9.109 ( -0.516 0.000 -5.986) 6.009 9.615 ( 1.872 -0.000 3.030) 3.562 9.655 ( 0.574 -0.000 -0.226) 0.617 10.482 ( 11.119 -0.000 -1.199) 11.184 10.638 ( -4.571 0.000 -1.264) 4.743 11.039 ( -0.297 0.000 -8.660) 8.665 11.100 ( -2.497 0.000 4.397) 5.057 11.238 ( 0.580 -0.000 13.518) 13.531 11.695 ( -1.013 0.000 -2.881) 3.054 11.754 ( -0.726 0.000 -3.398) 3.475 11.960 ( 0.438 -0.000 0.612) 0.753 12.611 ( 2.916 -0.000 0.112) 2.918 13.011 ( 6.438 -0.000 -7.329) 9.755 13.127 ( 5.078 -0.000 7.281) 8.876 13.463 ( 0.169 -0.000 0.475) 0.504 13.878 ( -1.433 0.000 -1.393) 1.999 14.803 ( -26.154 0.000 0.842) 26.167 15.708 ( 2.622 -0.000 -0.452) 2.661 16.213 ( 3.109 -0.000 0.160) 3.113 ======================= Grid point 32 (21/160) ======================= q-point: (-0.56 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -7.959 2.434 -5.726) 10.103 1.640 ( -12.903 8.944 -2.387) 15.880 1.880 ( -9.523 -3.226 -3.300) 10.582 1.959 ( 3.998 2.547 -4.697) 6.673 2.048 ( -9.541 0.800 5.899) 11.246 2.520 ( 2.939 0.454 3.315) 4.453 2.573 ( 0.522 -3.470 4.595) 5.782 2.636 ( -5.987 -2.303 9.992) 11.873 2.893 ( 1.960 0.647 0.580) 2.144 3.309 ( -5.621 3.373 -3.612) 7.485 3.375 ( -7.113 3.205 -2.660) 8.242 3.522 ( 2.216 3.020 0.577) 3.790 3.586 ( 2.710 -0.696 1.073) 2.996 3.685 ( -3.624 -1.397 -2.038) 4.386 3.806 ( -4.045 -1.559 -0.846) 4.417 3.835 ( -2.100 -5.240 0.425) 5.661 3.997 ( 3.431 -1.012 -8.074) 8.831 4.344 ( 9.114 -5.769 0.781) 10.815 4.581 ( 6.854 0.956 2.609) 7.396 4.926 ( 2.231 -0.063 7.162) 7.502 5.063 ( -1.942 0.647 -4.852) 5.266 5.091 ( -1.011 -0.295 -1.595) 1.911 5.386 ( -5.712 2.730 0.113) 6.332 5.580 ( 1.971 -1.509 -4.141) 4.828 5.899 ( 0.235 1.251 1.892) 2.281 5.973 ( 0.531 0.001 0.437) 0.688 6.268 ( -0.616 -0.413 2.599) 2.702 6.650 ( 4.059 0.240 -0.993) 4.186 7.072 ( 8.319 0.464 -0.948) 8.386 7.094 ( 0.481 -0.071 -0.065) 0.490 7.644 ( -1.628 -0.769 -1.191) 2.159 8.007 ( 1.248 -1.491 1.710) 2.589 8.576 ( -2.964 0.868 2.877) 4.221 8.907 ( -2.386 0.456 -1.043) 2.643 8.937 ( -4.136 -2.309 0.230) 4.742 9.123 ( 1.233 -0.363 -3.057) 3.316 9.582 ( -3.401 -0.327 0.796) 3.508 9.734 ( 5.890 -0.005 1.872) 6.180 10.567 ( -2.891 -0.037 -1.042) 3.074 10.693 ( 13.967 2.096 -2.380) 14.323 11.035 ( -0.339 0.080 -4.972) 4.985 11.058 ( -2.532 -0.514 2.584) 3.654 11.250 ( 0.716 0.358 11.006) 11.035 11.665 ( -0.963 2.488 -2.391) 3.582 11.727 ( -2.693 -0.502 -3.275) 4.270 11.980 ( 1.414 -1.946 0.708) 2.507 12.689 ( 6.907 0.780 0.523) 6.970 13.028 ( -1.180 0.776 -5.924) 6.090 13.163 ( -1.870 1.517 5.239) 5.766 13.463 ( -1.319 -0.374 0.566) 1.483 13.918 ( 6.700 4.429 -0.983) 8.091 14.353 ( -28.341 -6.695 1.025) 29.139 15.747 ( 2.274 0.506 -0.029) 2.329 16.268 ( 3.188 0.069 0.103) 3.190 ======================= Grid point 33 (22/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -12.097 5.032 -3.567) 13.579 1.388 ( -3.957 12.971 -4.585) 14.315 1.775 ( -8.798 4.677 4.154) 10.795 1.786 ( -6.381 -2.451 0.985) 6.906 2.026 ( 2.032 8.270 -2.378) 8.842 2.476 ( -5.143 -0.872 5.567) 7.629 2.572 ( 2.181 0.929 2.766) 3.643 2.749 ( 4.256 -6.902 4.360) 9.206 2.913 ( 1.282 1.721 -0.886) 2.322 3.133 ( -5.908 4.610 -4.248) 8.615 3.199 ( -8.845 1.454 -2.247) 9.242 3.518 ( 1.381 4.685 -0.607) 4.922 3.625 ( -1.852 2.777 -1.473) 3.649 3.733 ( 7.955 -4.933 6.603) 11.454 3.798 ( -1.594 -8.411 -0.352) 8.568 3.885 ( -1.145 -6.912 -3.264) 7.729 4.065 ( 0.772 -6.376 -4.800) 8.018 4.541 ( 9.075 -2.960 1.352) 9.641 4.667 ( 4.449 2.033 1.069) 5.007 4.922 ( -4.761 -0.277 5.079) 6.967 5.044 ( 0.370 -1.944 -4.632) 5.037 5.087 ( 1.730 1.457 -1.364) 2.642 5.252 ( -6.383 3.149 0.332) 7.125 5.621 ( 1.021 -1.827 -2.086) 2.955 5.881 ( -0.162 2.392 0.907) 2.563 5.978 ( 0.228 0.464 0.198) 0.554 6.259 ( -0.970 -0.845 1.570) 2.029 6.710 ( 3.083 0.471 -0.503) 3.159 7.101 ( 0.237 -0.149 -0.170) 0.327 7.194 ( 6.116 0.271 -0.486) 6.141 7.636 ( -0.747 -1.676 -0.678) 1.956 8.053 ( 1.321 -2.795 1.179) 3.308 8.512 ( -2.626 2.184 1.017) 3.564 8.884 ( -2.669 -2.010 -0.006) 3.341 8.892 ( -1.852 -1.825 0.032) 2.601 9.142 ( 0.791 0.078 -1.414) 1.622 9.528 ( -2.873 0.210 0.422) 2.912 9.824 ( 4.136 -0.097 1.238) 4.318 10.546 ( -0.457 -1.406 -0.483) 1.556 10.884 ( 11.919 5.782 -4.277) 13.921 11.010 ( -1.724 0.364 0.340) 1.795 11.038 ( -0.928 -0.323 0.929) 1.352 11.259 ( 0.695 0.869 6.536) 6.630 11.614 ( -1.627 3.086 -1.845) 3.946 11.684 ( -2.163 -0.031 -1.904) 2.882 12.060 ( 3.408 -6.297 0.367) 7.169 12.838 ( 12.744 2.205 0.430) 12.941 12.963 ( -4.333 1.636 -3.245) 5.655 13.115 ( -1.828 -0.783 2.488) 3.186 13.394 ( -7.342 2.459 1.073) 7.817 13.785 ( -15.305 4.211 -0.730) 15.891 14.182 ( -1.347 -7.160 0.761) 7.325 15.772 ( 1.348 0.863 0.085) 1.603 16.312 ( 2.010 0.103 0.033) 2.012 ======================= Grid point 34 (23/160) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.000 8.261 0.000) 8.261 1.219 ( -0.000 16.749 0.000) 16.749 1.615 ( -0.000 8.820 0.000) 8.820 1.786 ( 0.000 -6.076 -0.000) 6.076 1.899 ( -0.000 18.477 0.000) 18.477 2.449 ( 0.000 -1.851 -0.000) 1.851 2.575 ( -0.000 1.527 0.000) 1.527 2.837 ( 0.000 -2.969 -0.000) 2.969 2.911 ( -0.000 0.353 0.000) 0.353 3.075 ( -0.000 1.116 0.000) 1.116 3.097 ( 0.000 -0.325 -0.000) 0.325 3.490 ( -0.000 3.869 0.000) 3.869 3.577 ( -0.000 2.872 0.000) 2.872 3.890 ( 0.000 -10.991 -0.000) 10.991 3.899 ( 0.000 -7.664 -0.000) 7.664 3.905 ( 0.000 -6.018 -0.000) 6.018 4.150 ( 0.000 -9.409 -0.000) 9.409 4.670 ( 0.000 -0.489 -0.000) 0.489 4.679 ( -0.000 3.021 0.000) 3.021 4.848 ( 0.000 -1.696 -0.000) 1.696 5.075 ( 0.000 -2.091 -0.000) 2.091 5.120 ( -0.000 2.343 0.000) 2.343 5.128 ( -0.000 3.246 0.000) 3.246 5.648 ( 0.000 -1.777 -0.000) 1.777 5.853 ( -0.000 2.783 0.000) 2.783 5.973 ( -0.000 0.829 0.000) 0.829 6.259 ( 0.000 -0.997 -0.000) 0.997 6.733 ( -0.000 0.656 0.000) 0.656 7.104 ( 0.000 -0.040 -0.000) 0.040 7.254 ( 0.000 -0.620 -0.000) 0.620 7.649 ( 0.000 -2.279 -0.000) 2.279 8.097 ( 0.000 -3.867 -0.000) 3.867 8.458 ( -0.000 3.244 0.000) 3.244 8.873 ( 0.000 -2.668 -0.000) 2.668 8.903 ( 0.000 -1.739 -0.000) 1.739 9.147 ( -0.000 0.143 0.000) 0.143 9.494 ( -0.000 0.871 0.000) 0.871 9.863 ( 0.000 -0.354 -0.000) 0.354 10.561 ( 0.000 -0.940 -0.000) 0.940 10.931 ( -0.000 8.276 0.000) 8.276 10.991 ( 0.000 -0.275 -0.000) 0.275 11.029 ( 0.000 -1.347 -0.000) 1.347 11.256 ( -0.000 0.887 0.000) 0.887 11.568 ( -0.000 2.907 0.000) 2.907 11.663 ( -0.000 0.467 0.000) 0.467 12.185 ( 0.000 -9.890 -0.000) 9.890 12.895 ( -0.000 2.083 0.000) 2.083 13.045 ( -0.000 2.737 0.000) 2.737 13.115 ( 0.000 -1.722 -0.000) 1.722 13.166 ( -0.000 4.361 0.000) 4.361 13.615 ( -0.000 1.684 0.000) 1.684 14.225 ( 0.000 -2.848 -0.000) 2.848 15.774 ( -0.000 1.125 0.000) 1.125 16.329 ( -0.000 0.111 0.000) 0.111 ======================= Grid point 41 (24/160) ======================= q-point: (-0.56 0.44 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -11.716 0.000 -3.017) 12.098 1.523 ( -4.338 0.000 -4.730) 6.419 1.739 ( -5.363 0.000 -1.188) 5.493 1.845 ( -10.625 0.000 6.683) 12.553 2.098 ( 6.253 -0.000 -4.008) 7.427 2.466 ( -4.541 0.000 3.450) 5.703 2.593 ( 0.877 -0.000 3.945) 4.041 2.664 ( 6.183 -0.000 5.646) 8.373 2.930 ( 1.868 -0.000 -0.508) 1.936 3.179 ( -8.269 0.000 -3.414) 8.945 3.235 ( -9.113 0.000 -4.684) 10.246 3.591 ( 1.028 -0.000 -0.657) 1.220 3.658 ( 2.781 -0.000 4.822) 5.566 3.673 ( 2.933 -0.000 -0.674) 3.009 3.703 ( -2.194 0.000 3.507) 4.136 3.794 ( -0.318 0.000 -0.751) 0.815 3.999 ( -1.521 0.000 -8.298) 8.437 4.507 ( 11.639 -0.000 1.169) 11.698 4.690 ( 4.687 -0.000 1.297) 4.863 4.920 ( -5.592 0.000 5.276) 7.688 5.024 ( 0.020 -0.000 -5.078) 5.079 5.102 ( 2.465 -0.000 -2.280) 3.358 5.286 ( -6.982 0.000 2.366) 7.372 5.599 ( 1.028 -0.000 -3.148) 3.311 5.907 ( -0.027 0.000 1.124) 1.125 5.982 ( 0.414 -0.000 0.216) 0.467 6.250 ( -1.059 0.000 1.626) 1.941 6.715 ( 3.052 -0.000 -0.500) 3.093 7.099 ( 0.297 -0.000 -0.138) 0.327 7.196 ( 5.532 -0.000 -0.509) 5.555 7.619 ( -0.823 0.000 -0.780) 1.134 8.026 ( 1.437 -0.000 1.260) 1.911 8.537 ( -2.055 0.000 1.834) 2.754 8.865 ( -2.898 0.000 -0.853) 3.021 8.866 ( -1.891 0.000 -0.310) 1.916 9.146 ( 1.114 -0.000 -0.836) 1.393 9.530 ( -2.427 0.000 0.384) 2.457 9.822 ( 4.017 -0.000 1.177) 4.186 10.528 ( -1.082 0.000 -0.607) 1.240 10.939 ( 10.656 -0.000 -5.285) 11.895 11.014 ( -2.132 0.000 1.289) 2.491 11.046 ( 2.121 -0.000 -0.251) 2.135 11.271 ( 1.438 -0.000 8.196) 8.321 11.664 ( -3.931 0.000 -3.175) 5.053 11.667 ( -0.470 0.000 -1.194) 1.283 11.987 ( 1.099 -0.000 0.658) 1.281 12.860 ( 13.144 -0.000 0.449) 13.152 12.979 ( -4.582 0.000 -3.495) 5.763 13.107 ( -2.715 0.000 2.568) 3.737 13.419 ( -6.318 0.000 1.361) 6.463 13.835 ( -23.808 0.000 -0.210) 23.809 14.104 ( 8.340 -0.000 -0.195) 8.343 15.781 ( 1.318 -0.000 0.073) 1.320 16.313 ( 1.982 -0.000 0.039) 1.982 ======================= Grid point 43 (25/160) ======================= q-point: (-0.44 0.44 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.000 2.831 0.000) 2.831 1.463 ( -0.000 7.287 0.000) 7.287 1.703 ( 0.000 -2.248 -0.000) 2.248 1.729 ( -0.000 3.028 0.000) 3.028 2.131 ( -0.000 5.458 0.000) 5.458 2.429 ( 0.000 -0.256 -0.000) 0.256 2.597 ( -0.000 0.527 0.000) 0.527 2.743 ( 0.000 -3.662 -0.000) 3.662 2.943 ( -0.000 1.349 0.000) 1.349 3.101 ( -0.000 0.187 0.000) 0.187 3.127 ( -0.000 3.050 0.000) 3.050 3.570 ( -0.000 4.303 0.000) 4.303 3.647 ( -0.000 3.543 0.000) 3.543 3.696 ( 0.000 -7.667 -0.000) 7.667 3.785 ( 0.000 -3.955 -0.000) 3.955 3.809 ( 0.000 -3.441 -0.000) 3.441 3.997 ( 0.000 -5.188 -0.000) 5.188 4.658 ( 0.000 -0.515 -0.000) 0.515 4.724 ( -0.000 1.373 0.000) 1.373 4.819 ( 0.000 -0.947 -0.000) 0.947 5.040 ( 0.000 -1.073 -0.000) 1.073 5.159 ( -0.000 1.177 0.000) 1.177 5.177 ( -0.000 1.476 0.000) 1.476 5.613 ( 0.000 -1.220 -0.000) 1.220 5.899 ( -0.000 1.472 0.000) 1.472 5.985 ( -0.000 0.321 0.000) 0.321 6.242 ( 0.000 -0.564 -0.000) 0.564 6.741 ( -0.000 0.216 0.000) 0.216 7.102 ( 0.000 -0.084 -0.000) 0.084 7.246 ( 0.000 -0.173 -0.000) 0.173 7.616 ( 0.000 -0.939 -0.000) 0.939 8.046 ( 0.000 -1.339 -0.000) 1.339 8.511 ( -0.000 1.692 0.000) 1.692 8.839 ( 0.000 -0.554 -0.000) 0.554 8.862 ( 0.000 -1.968 -0.000) 1.968 9.154 ( -0.000 0.314 0.000) 0.314 9.506 ( -0.000 0.328 0.000) 0.328 9.858 ( 0.000 -0.133 -0.000) 0.133 10.528 ( 0.000 -1.300 -0.000) 1.300 10.992 ( -0.000 0.277 0.000) 0.277 11.008 ( 0.000 -0.773 -0.000) 0.773 11.077 ( -0.000 4.485 0.000) 4.485 11.284 ( -0.000 1.751 0.000) 1.751 11.611 ( -0.000 1.389 0.000) 1.389 11.664 ( 0.000 -0.215 -0.000) 0.215 12.026 ( 0.000 -5.345 -0.000) 5.345 12.924 ( -0.000 0.830 0.000) 0.830 13.083 ( -0.000 1.054 0.000) 1.054 13.091 ( 0.000 -0.665 -0.000) 0.665 13.224 ( -0.000 1.500 0.000) 1.500 13.638 ( -0.000 0.632 0.000) 0.632 14.185 ( 0.000 -1.115 -0.000) 1.115 15.790 ( -0.000 0.447 0.000) 0.447 16.331 ( -0.000 0.035 0.000) 0.035 ======================= Grid point 85 (26/160) ======================= q-point: ( 0.00 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -2.182 0.000 19.375) 19.498 0.453 ( -1.135 0.000 21.681) 21.711 0.825 ( -2.134 0.000 31.026) 31.099 1.464 ( -1.129 0.000 23.047) 23.075 2.235 ( 21.402 -0.000 -3.008) 21.613 2.328 ( -6.419 0.000 -11.646) 13.298 2.541 ( -2.906 0.000 -5.989) 6.657 2.879 ( -1.912 0.000 4.691) 5.066 2.885 ( 2.666 -0.000 0.438) 2.702 3.076 ( -2.850 0.000 2.032) 3.501 3.122 ( 0.705 -0.000 -2.429) 2.529 3.593 ( 4.093 -0.000 9.451) 10.300 3.632 ( 1.227 -0.000 8.484) 8.573 3.838 ( 5.362 -0.000 1.648) 5.610 4.108 ( -3.877 0.000 3.411) 5.164 4.170 ( -0.806 0.000 -0.232) 0.839 4.494 ( 0.916 -0.000 2.460) 2.625 4.582 ( 0.566 -0.000 -4.393) 4.429 4.638 ( -0.854 0.000 -1.685) 1.889 4.840 ( 2.442 -0.000 -13.668) 13.884 4.861 ( -9.888 0.000 -4.435) 10.837 4.938 ( 1.372 -0.000 -2.293) 2.672 5.435 ( -1.907 0.000 4.489) 4.877 5.705 ( 4.416 -0.000 -5.424) 6.994 5.832 ( -0.336 0.000 0.776) 0.846 6.233 ( 0.406 -0.000 -4.051) 4.071 6.703 ( -0.087 0.000 1.343) 1.346 6.918 ( 0.342 -0.000 -1.461) 1.501 7.097 ( -0.331 0.000 0.566) 0.655 7.388 ( -1.419 0.000 10.130) 10.229 7.705 ( 3.353 -0.000 -3.943) 5.176 8.375 ( 17.565 -0.000 3.830) 17.978 8.500 ( -3.349 0.000 -4.430) 5.553 9.069 ( 0.172 -0.000 3.122) 3.127 9.142 ( 0.478 -0.000 -4.251) 4.278 9.342 ( -0.352 0.000 -0.219) 0.414 9.546 ( 1.216 -0.000 -0.536) 1.329 9.652 ( -12.368 0.000 -2.346) 12.589 10.274 ( -0.047 0.000 2.514) 2.514 10.676 ( -0.313 0.000 -0.951) 1.001 11.099 ( 0.621 -0.000 -0.574) 0.846 11.178 ( -1.468 0.000 -1.220) 1.909 11.374 ( 4.146 -0.000 2.396) 4.788 11.541 ( 1.084 -0.000 -3.666) 3.823 11.886 ( -1.209 0.000 9.746) 9.821 12.732 ( 37.532 -0.000 -4.023) 37.747 12.802 ( 0.064 -0.000 0.318) 0.324 12.833 ( 34.226 -0.000 1.077) 34.243 13.081 ( -4.222 0.000 -2.639) 4.979 13.253 ( 5.174 -0.000 3.839) 6.443 13.393 ( -33.149 0.000 -8.520) 34.226 13.670 ( -52.895 0.000 1.830) 52.927 15.768 ( -0.689 0.000 4.394) 4.447 16.293 ( 0.007 -0.000 -1.422) 1.422 ======================= Grid point 86 (27/160) ======================= q-point: ( 0.11 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 9.873 -12.060 11.170) 19.176 0.669 ( 15.111 -7.619 16.993) 23.982 1.062 ( 21.902 -7.334 22.788) 32.447 1.488 ( 3.510 -2.350 18.760) 19.230 2.272 ( 0.654 0.479 -12.177) 12.204 2.499 ( 7.720 7.940 -7.184) 13.201 2.600 ( 11.485 2.802 -6.144) 13.323 2.857 ( -5.383 0.303 -7.895) 9.560 2.876 ( 0.912 0.872 0.456) 1.342 3.063 ( 0.397 -1.198 10.610) 10.684 3.143 ( 2.398 0.018 -1.195) 2.679 3.636 ( 0.955 2.726 8.570) 9.044 3.692 ( 3.152 -5.155 6.871) 9.151 3.909 ( 1.506 -0.198 2.642) 3.047 4.032 ( -5.062 2.999 0.201) 5.887 4.145 ( -1.376 -2.474 -0.670) 2.909 4.486 ( -1.799 0.349 2.089) 2.778 4.542 ( -6.253 3.419 -2.036) 7.412 4.602 ( -1.140 -0.475 -2.678) 2.949 4.708 ( -5.399 -2.924 -3.524) 7.079 4.902 ( 4.726 0.290 -11.598) 12.528 5.029 ( 6.219 -1.171 -2.225) 6.708 5.415 ( -0.325 0.821 3.246) 3.364 5.758 ( 1.789 -0.117 -5.660) 5.938 5.830 ( 0.093 -0.022 0.840) 0.845 6.240 ( 0.503 0.276 -4.254) 4.293 6.621 ( -14.284 13.546 17.925) 26.624 6.743 ( -9.924 7.529 12.939) 17.961 7.016 ( -19.689 -11.405 9.103) 24.507 7.104 ( 0.867 -0.126 0.269) 0.916 7.706 ( -0.076 1.364 -3.560) 3.813 8.354 ( -9.262 4.703 -7.262) 12.674 8.701 ( 12.869 0.165 -3.906) 13.450 8.990 ( -1.219 18.132 6.521) 19.307 9.139 ( -2.295 4.219 6.075) 7.744 9.258 ( 6.253 3.024 2.534) 7.394 9.485 ( 0.126 -4.531 0.641) 4.578 9.613 ( -7.720 -10.211 -2.152) 12.981 10.268 ( -2.515 -3.413 2.362) 4.853 10.658 ( -0.682 2.008 -3.192) 3.832 11.061 ( -7.232 0.603 -2.095) 7.554 11.118 ( -1.818 -1.016 -0.247) 2.097 11.416 ( 2.447 0.163 2.430) 3.452 11.557 ( 1.508 2.313 -0.217) 2.769 11.789 ( -4.968 6.535 17.053) 18.926 12.062 ( -32.224 -15.095 19.419) 40.538 12.711 ( -5.911 2.041 -0.961) 6.327 12.791 ( -2.457 -3.788 -1.152) 4.660 13.082 ( 1.636 -0.011 -2.157) 2.707 13.387 ( 12.230 2.095 5.114) 13.421 13.530 ( -0.609 -3.277 -0.299) 3.347 14.433 ( 54.128 5.230 -42.759) 69.177 15.748 ( -1.816 -0.394 3.821) 4.249 16.280 ( -1.764 -0.296 -1.431) 2.291 ======================= Grid point 87 (28/160) ======================= q-point: ( 0.22 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 10.361 -13.552 5.631) 17.964 1.008 ( 13.908 -10.021 17.353) 24.392 1.564 ( 22.415 -7.810 4.096) 24.087 1.642 ( 12.512 -3.551 17.078) 21.467 2.335 ( 7.831 1.493 -9.824) 12.652 2.564 ( 8.374 5.340 -6.594) 11.921 2.692 ( 4.944 7.661 -1.505) 9.241 2.723 ( -6.985 1.368 -2.632) 7.589 2.883 ( 0.375 -1.021 0.274) 1.121 3.098 ( 1.088 -2.578 10.055) 10.437 3.204 ( 3.718 -1.419 -1.074) 4.122 3.595 ( -2.549 3.624 4.494) 6.310 3.770 ( 0.709 -3.407 8.220) 8.926 3.861 ( -8.379 7.485 -1.069) 11.286 3.921 ( 1.585 1.050 5.227) 5.562 4.160 ( -0.669 -1.964 -1.017) 2.311 4.371 ( -7.934 3.612 -0.080) 8.718 4.439 ( -3.514 -0.905 0.142) 3.631 4.598 ( -1.461 -2.640 -2.431) 3.875 4.700 ( -0.190 -2.017 -5.328) 5.700 4.970 ( 4.062 1.355 -7.402) 8.551 5.142 ( 4.905 -2.318 -3.117) 6.256 5.397 ( -0.195 2.685 0.106) 2.694 5.745 ( -3.718 1.150 -0.765) 3.966 5.841 ( 1.285 -0.245 1.703) 2.147 6.163 ( -15.642 7.157 26.493) 31.588 6.241 ( -0.004 1.086 -3.250) 3.427 6.658 ( -3.522 -0.545 3.059) 4.697 6.896 ( -8.584 -6.368 0.839) 10.721 7.118 ( 0.451 0.083 0.219) 0.508 7.691 ( -0.057 1.617 -4.530) 4.811 8.153 ( -8.109 4.174 -9.968) 13.511 8.781 ( -2.765 1.264 10.303) 10.742 8.888 ( 8.735 10.832 -0.930) 13.946 9.092 ( -0.776 2.031 5.581) 5.990 9.376 ( 5.839 0.501 1.900) 6.161 9.534 ( -4.697 -9.325 -1.621) 10.566 9.579 ( 0.393 -0.911 -1.403) 1.719 10.269 ( -1.892 -5.329 0.958) 5.735 10.623 ( 0.171 3.560 -4.792) 5.972 10.951 ( -5.928 -2.962 -5.580) 8.663 11.116 ( 1.562 1.988 -0.971) 2.708 11.449 ( 3.282 4.779 5.915) 8.282 11.567 ( 1.493 -1.270 4.900) 5.278 11.746 ( 0.440 -2.945 8.807) 9.297 11.908 ( -7.876 -7.186 6.538) 12.507 12.605 ( -4.535 0.757 -1.165) 4.743 12.775 ( -4.470 -4.766 -1.795) 6.776 13.099 ( 0.637 0.180 -0.783) 1.026 13.497 ( 0.586 -0.596 0.198) 0.858 13.653 ( 11.641 -2.133 5.048) 12.866 14.932 ( 23.884 13.197 -26.358) 37.939 15.717 ( -2.679 -0.779 3.260) 4.291 16.242 ( -2.899 -0.288 -1.224) 3.160 ======================= Grid point 88 (29/160) ======================= q-point: ( 0.33 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 9.046 -11.424 3.671) 15.027 1.325 ( 11.137 -9.805 16.113) 21.904 1.819 ( 7.434 -6.461 7.806) 12.568 2.022 ( 18.523 -1.896 1.894) 18.716 2.479 ( 11.111 3.119 -3.547) 12.073 2.507 ( -10.963 1.329 -6.575) 12.852 2.708 ( 5.559 9.091 2.987) 11.067 2.719 ( 11.296 2.728 -4.950) 12.631 2.921 ( 1.461 -2.750 4.347) 5.347 3.151 ( 1.016 -3.503 8.630) 9.369 3.279 ( 2.525 -1.934 -0.513) 3.222 3.496 ( -4.911 2.649 0.515) 5.604 3.639 ( -6.882 8.062 -0.339) 10.606 3.782 ( -4.072 -3.747 8.823) 10.415 3.951 ( 2.151 0.141 3.742) 4.318 4.150 ( -0.850 1.061 0.683) 1.521 4.217 ( -7.213 1.465 1.448) 7.501 4.411 ( -0.550 -0.922 0.135) 1.082 4.597 ( -2.654 -4.568 -2.378) 5.794 4.706 ( 1.235 3.046 -6.118) 6.945 5.002 ( 1.729 1.934 -6.037) 6.571 5.229 ( 2.114 -2.279 -1.374) 3.398 5.349 ( -1.922 3.802 0.967) 4.369 5.618 ( -7.513 0.789 6.072) 9.692 5.870 ( 1.525 -0.132 2.765) 3.161 5.974 ( -4.448 1.497 5.389) 7.146 6.231 ( -0.057 0.791 -3.064) 3.165 6.615 ( -2.258 -0.690 2.844) 3.696 6.829 ( -5.391 -4.197 0.234) 6.836 7.117 ( -0.209 0.391 0.759) 0.879 7.670 ( -0.493 1.434 -5.450) 5.657 8.017 ( -4.028 1.807 -11.392) 12.217 8.725 ( -0.153 3.992 9.574) 10.374 8.938 ( 3.384 2.535 0.550) 4.264 9.068 ( -0.116 1.352 4.827) 5.014 9.393 ( -2.234 -0.275 2.797) 3.590 9.556 ( -1.066 -4.496 2.282) 5.154 9.622 ( 2.788 -0.883 -2.781) 4.035 10.317 ( 0.954 -5.949 -1.369) 6.179 10.597 ( 0.919 3.691 -4.262) 5.712 10.900 ( -3.575 -2.382 -8.780) 9.774 11.130 ( 3.020 2.999 -1.550) 4.530 11.441 ( 2.086 5.537 8.668) 10.495 11.620 ( 1.633 -2.211 5.329) 5.996 11.808 ( 2.850 -2.228 4.694) 5.926 11.867 ( -4.183 -4.587 2.849) 6.831 12.551 ( -1.437 -0.328 -1.252) 1.933 12.727 ( -6.341 -4.327 -2.222) 7.992 13.107 ( 0.517 -0.016 0.716) 0.883 13.495 ( -1.276 -1.165 -0.673) 1.855 13.858 ( 9.702 -0.593 5.612) 11.223 15.115 ( 13.681 10.580 -16.007) 23.566 15.675 ( -3.390 -1.265 3.292) 4.892 16.195 ( -2.684 -0.246 -0.971) 2.865 ======================= Grid point 89 (30/160) ======================= q-point: ( 0.44 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 5.571 -7.367 2.886) 9.676 1.540 ( 2.845 -6.824 14.054) 15.880 1.946 ( 2.144 -0.195 9.496) 9.737 2.237 ( 5.897 -0.395 -3.618) 6.929 2.321 ( -8.970 -1.863 -3.793) 9.916 2.627 ( 9.978 3.180 4.575) 11.429 2.754 ( 7.786 5.473 2.344) 9.801 2.888 ( 10.214 1.674 -7.585) 12.832 2.966 ( 1.266 -0.025 7.706) 7.809 3.178 ( -1.020 -2.404 3.813) 4.622 3.295 ( -2.640 -1.029 2.529) 3.798 3.409 ( -2.493 0.692 -2.401) 3.529 3.543 ( 1.425 1.948 2.675) 3.603 3.697 ( -9.752 -2.612 6.180) 11.837 3.967 ( -1.247 -0.348 -0.730) 1.487 4.073 ( -5.566 1.933 -1.253) 6.024 4.162 ( -0.190 -1.639 7.334) 7.518 4.430 ( 1.948 0.325 1.902) 2.742 4.607 ( -1.839 -6.610 -3.675) 7.784 4.686 ( 4.291 9.468 -7.235) 12.665 4.997 ( -0.058 1.168 -6.894) 6.992 5.211 ( -2.216 5.644 2.482) 6.552 5.296 ( -4.202 -5.511 8.656) 11.088 5.557 ( -0.280 -1.440 -2.807) 3.167 5.888 ( 0.684 0.784 3.231) 3.395 5.920 ( -1.212 0.935 -2.582) 3.002 6.229 ( 0.871 0.677 -1.741) 2.061 6.596 ( -0.913 -0.719 2.687) 2.928 6.798 ( -1.927 -2.282 0.134) 2.989 7.108 ( -0.319 0.384 1.226) 1.324 7.652 ( -0.199 0.277 -6.141) 6.151 7.975 ( -0.088 -0.165 -11.005) 11.007 8.697 ( 0.545 3.470 8.269) 8.984 8.949 ( -0.144 -0.076 2.206) 2.212 9.065 ( 0.474 0.377 3.855) 3.903 9.356 ( -3.246 -1.885 2.139) 4.320 9.566 ( 0.695 0.307 4.165) 4.234 9.676 ( 1.819 -1.272 -0.916) 2.402 10.391 ( 1.117 -4.040 -2.420) 4.840 10.582 ( 1.117 2.268 -3.311) 4.165 10.865 ( -2.768 -1.960 -11.118) 11.624 11.156 ( 3.754 3.721 -1.454) 5.482 11.423 ( 1.351 4.751 8.760) 10.057 11.653 ( -0.298 -2.159 7.379) 7.695 11.840 ( -2.310 -1.667 -0.397) 2.877 11.875 ( 1.733 -1.855 3.794) 4.565 12.564 ( 2.545 -0.207 -1.680) 3.057 12.650 ( -6.033 -2.188 -2.022) 6.728 13.119 ( 0.819 -0.159 1.985) 2.153 13.483 ( -0.740 -0.158 -1.046) 1.291 13.971 ( 2.755 -0.077 4.933) 5.651 15.212 ( 6.828 4.067 -11.299) 13.814 15.637 ( -2.317 -1.336 3.715) 4.577 16.163 ( -1.019 -0.073 -0.789) 1.291 ======================= Grid point 90 (31/160) ======================= q-point: (-0.44 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -5.121 -0.005 6.682) 8.418 1.524 ( -8.378 -0.021 6.187) 10.415 1.888 ( -4.177 5.509 12.114) 13.948 2.255 ( -2.749 -0.014 -4.743) 5.482 2.292 ( -1.230 -6.639 -0.573) 6.777 2.766 ( 7.133 -0.429 8.249) 10.914 2.798 ( 2.283 4.092 4.555) 6.535 2.952 ( -2.623 -1.250 3.822) 4.802 3.019 ( 4.802 0.283 -3.400) 5.890 3.204 ( 0.298 -1.290 2.247) 2.608 3.279 ( 2.763 -0.637 1.595) 3.253 3.350 ( -5.617 0.191 1.580) 5.838 3.541 ( -7.043 0.783 0.004) 7.086 3.593 ( 1.773 -1.338 4.164) 4.720 3.895 ( -5.467 1.521 -2.079) 6.043 4.009 ( -1.013 -3.008 -1.815) 3.657 4.182 ( 0.123 -1.816 5.465) 5.760 4.460 ( 2.317 1.077 3.376) 4.234 4.623 ( 0.944 4.015 -4.114) 5.826 4.727 ( 7.511 1.411 -8.546) 11.464 4.984 ( -0.408 0.039 -6.463) 6.476 5.132 ( -0.976 3.866 5.853) 7.082 5.292 ( -3.634 -7.485 6.539) 10.582 5.593 ( 1.963 -1.380 -3.741) 4.444 5.880 ( -0.224 1.417 2.654) 3.017 5.910 ( 1.062 0.663 -2.680) 2.958 6.246 ( 1.812 0.743 -1.353) 2.380 6.595 ( -0.071 -0.482 2.773) 2.816 6.806 ( 1.402 0.079 0.207) 1.420 7.104 ( 0.073 -0.064 1.209) 1.212 7.658 ( 0.281 -1.262 -5.952) 6.091 8.007 ( 2.991 -1.850 -9.543) 10.170 8.670 ( -0.210 3.276 7.461) 8.151 8.958 ( 0.116 -2.341 2.618) 3.514 9.069 ( -0.126 -0.341 3.655) 3.673 9.318 ( -3.835 -2.850 0.841) 4.851 9.592 ( 3.061 1.352 3.605) 4.919 9.699 ( 0.332 0.300 1.623) 1.684 10.402 ( -1.415 1.307 -1.882) 2.693 10.602 ( 1.561 -1.785 -2.593) 3.514 10.841 ( -1.829 -1.634 -12.595) 12.831 11.178 ( 3.149 4.182 -0.635) 5.273 11.397 ( 0.398 3.944 7.613) 8.583 11.658 ( -1.848 -2.522 9.165) 9.684 11.799 ( -4.063 -0.898 -2.181) 4.698 11.913 ( 1.920 0.529 4.282) 4.723 12.575 ( -2.729 0.009 -1.075) 2.933 12.634 ( 5.196 1.341 -2.677) 5.997 13.137 ( 1.189 0.056 2.707) 2.957 13.476 ( 0.441 0.916 -1.471) 1.788 13.948 ( -5.485 0.264 3.843) 6.702 15.262 ( -1.216 -4.959 -9.680) 10.944 15.634 ( 1.160 -0.161 3.974) 4.143 16.164 ( 1.226 0.186 -0.761) 1.455 ======================= Grid point 91 (32/160) ======================= q-point: (-0.33 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -14.921 4.997 10.961) 19.177 1.299 ( -14.128 5.633 1.618) 15.296 1.740 ( -7.221 6.403 10.883) 14.546 2.131 ( -12.029 2.840 2.211) 12.555 2.330 ( -2.728 -7.348 1.437) 7.969 2.770 ( -1.868 1.581 0.276) 2.462 2.834 ( -2.348 1.082 1.793) 3.146 2.932 ( -1.356 -3.295 10.755) 11.330 3.002 ( -8.312 -2.371 -0.268) 8.648 3.173 ( 0.712 -0.028 8.310) 8.341 3.267 ( -1.699 1.641 -1.190) 2.645 3.381 ( -8.648 3.422 -7.427) 11.902 3.404 ( 7.041 0.062 3.761) 7.982 3.697 ( 7.989 -4.678 1.791) 9.429 3.823 ( -1.930 -0.134 -0.508) 2.000 4.097 ( 5.998 -5.083 -3.241) 8.504 4.205 ( 0.276 -2.026 3.672) 4.203 4.492 ( 2.960 1.597 4.236) 5.408 4.595 ( 1.530 5.030 -5.030) 7.276 4.822 ( 4.235 1.617 -9.029) 10.103 4.979 ( 0.132 1.235 -5.691) 5.825 5.105 ( 0.772 1.362 3.000) 3.383 5.333 ( -1.038 -9.067 6.483) 11.194 5.626 ( 1.047 0.493 -1.119) 1.610 5.860 ( -0.585 1.039 2.165) 2.472 5.952 ( 4.284 -0.847 2.162) 4.873 6.271 ( 1.900 0.736 -1.469) 2.512 6.607 ( 1.151 -0.200 2.940) 3.164 6.839 ( 3.970 2.643 0.153) 4.771 7.112 ( 0.385 -0.517 0.765) 1.000 7.676 ( -0.041 -1.996 -5.610) 5.955 8.107 ( 5.492 -4.096 -6.916) 9.735 8.623 ( -1.852 3.328 6.330) 7.387 9.002 ( 0.255 -5.666 3.107) 6.467 9.070 ( -0.357 -0.433 3.981) 4.020 9.292 ( -2.764 -3.453 -1.205) 4.584 9.621 ( 0.034 0.331 -0.716) 0.790 9.695 ( 2.205 3.545 6.150) 7.433 10.341 ( -1.995 3.741 -0.850) 4.324 10.651 ( 1.162 -2.759 -2.445) 3.865 10.836 ( 0.210 -1.323 -11.931) 12.006 11.178 ( 1.850 4.382 0.452) 4.778 11.363 ( -0.442 3.397 5.746) 6.690 11.643 ( -2.922 -1.887 9.561) 10.174 11.724 ( -4.674 0.092 -1.516) 4.914 11.938 ( 2.786 2.552 5.714) 6.850 12.560 ( 1.757 0.902 -0.753) 2.114 12.708 ( 5.116 2.145 -2.845) 6.234 13.157 ( 1.283 0.307 2.751) 3.051 13.479 ( 1.245 1.645 -1.769) 2.718 13.790 ( -11.969 1.011 2.486) 12.266 15.265 ( -8.541 -13.002 -11.037) 19.074 15.674 ( 3.367 0.676 4.008) 5.278 16.197 ( 2.730 0.321 -0.939) 2.905 ======================= Grid point 92 (33/160) ======================= q-point: (-0.22 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -16.734 6.198 11.915) 21.457 0.973 ( -16.532 6.530 5.108) 18.495 1.521 ( -12.374 6.084 4.610) 14.539 1.789 ( -18.681 9.919 20.541) 29.484 2.318 ( -10.118 -9.993 -2.601) 14.457 2.656 ( -6.663 5.225 -6.191) 10.490 2.744 ( -6.140 0.523 1.167) 6.272 2.843 ( -8.096 -2.007 2.564) 8.726 2.959 ( 0.105 -0.671 9.678) 9.702 3.189 ( -6.556 -0.888 -7.009) 9.638 3.205 ( -3.841 0.686 -4.188) 5.723 3.330 ( 9.476 -0.020 11.114) 14.606 3.514 ( 5.299 -0.749 4.787) 7.180 3.772 ( 1.671 4.136 -3.724) 5.811 3.946 ( 8.539 -7.594 2.207) 11.639 4.206 ( 0.573 0.556 2.404) 2.533 4.287 ( 6.247 -7.608 -2.439) 10.141 4.531 ( 3.528 1.976 4.175) 5.812 4.584 ( 1.934 2.823 -5.921) 6.839 4.839 ( 0.569 1.374 -9.028) 9.149 4.940 ( -0.922 4.841 -4.712) 6.818 5.122 ( -0.829 -2.409 -3.182) 4.076 5.417 ( 0.739 -7.307 6.007) 9.488 5.617 ( 0.541 3.213 0.821) 3.360 5.846 ( -0.456 0.200 1.117) 1.223 6.093 ( 9.341 -4.565 11.793) 15.722 6.305 ( 4.031 -0.437 3.693) 5.484 6.640 ( 2.360 -0.214 2.536) 3.471 6.888 ( 6.233 4.963 -0.170) 7.969 7.122 ( 0.256 -0.157 0.426) 0.521 7.688 ( -0.541 -1.685 -5.633) 5.905 8.258 ( 5.627 -6.618 -3.425) 9.337 8.545 ( -3.371 3.601 4.123) 6.429 9.068 ( -0.670 -1.082 4.492) 4.669 9.073 ( -0.615 -9.262 3.462) 9.908 9.281 ( -2.795 -3.507 -2.674) 5.221 9.574 ( -4.322 0.085 -1.238) 4.497 9.723 ( 5.621 5.588 5.520) 9.659 10.287 ( 0.067 3.475 0.549) 3.519 10.681 ( 0.290 -0.773 -5.068) 5.135 10.884 ( 4.352 -1.632 -5.981) 7.574 11.160 ( 1.363 4.750 1.104) 5.063 11.320 ( -0.704 3.313 4.242) 5.429 11.591 ( -3.583 0.456 1.925) 4.093 11.675 ( -1.319 -1.433 8.528) 8.748 11.961 ( 4.523 5.656 7.513) 10.435 12.615 ( 5.106 0.050 -0.693) 5.153 12.759 ( 3.273 2.038 -2.340) 4.511 13.176 ( 1.285 0.287 2.440) 2.773 13.470 ( -3.592 0.204 -0.828) 3.692 13.555 ( -10.339 3.347 -0.277) 10.871 15.204 ( -17.338 -17.919 -18.304) 30.931 15.725 ( 2.978 0.522 4.385) 5.326 16.243 ( 2.871 0.304 -1.248) 3.146 ======================= Grid point 93 (34/160) ======================= q-point: (-0.11 0.00 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -14.260 4.007 14.770) 20.918 0.651 ( -14.144 4.805 13.760) 20.310 1.129 ( -22.497 10.130 12.888) 27.835 1.504 ( -4.974 4.605 27.050) 27.886 2.175 ( -11.967 -4.192 -3.285) 13.099 2.477 ( -9.795 1.106 -9.120) 13.429 2.628 ( -6.125 0.967 -2.968) 6.875 2.818 ( 3.055 0.087 3.397) 4.570 2.933 ( -3.009 0.850 7.836) 8.437 3.119 ( -2.195 -1.149 -4.100) 4.790 3.139 ( -3.327 0.393 -4.748) 5.811 3.497 ( 7.897 -0.460 13.060) 15.269 3.595 ( 2.894 -0.853 7.157) 7.767 3.774 ( 4.031 4.030 -4.586) 7.315 4.116 ( 3.901 -4.031 1.971) 5.946 4.180 ( -1.977 1.440 2.531) 3.520 4.442 ( 4.103 -3.579 -0.469) 5.465 4.565 ( 1.881 0.705 -2.513) 3.217 4.612 ( 3.077 0.316 -2.234) 3.816 4.831 ( -0.729 -0.626 -10.720) 10.763 4.885 ( 0.990 4.156 -3.601) 5.587 5.070 ( -8.459 -1.999 -7.732) 11.633 5.465 ( -2.016 -2.752 4.191) 5.404 5.626 ( 4.803 2.095 -0.957) 5.327 5.838 ( -0.400 -0.002 0.736) 0.838 6.222 ( 1.184 -1.007 -2.475) 2.922 6.641 ( 25.939 -17.609 29.780) 43.241 6.683 ( 1.791 -1.087 2.235) 3.063 6.971 ( 14.412 9.032 3.808) 17.429 7.121 ( 1.095 2.082 1.057) 2.579 7.688 ( -0.746 -0.838 -5.946) 6.051 8.354 ( -4.508 -3.917 3.592) 6.969 8.483 ( 1.792 0.650 -1.828) 2.641 9.066 ( -0.578 -0.746 3.846) 3.960 9.143 ( -1.736 -6.129 -1.113) 6.467 9.285 ( -2.929 -10.763 1.402) 11.243 9.509 ( -3.098 -2.066 0.372) 3.742 9.758 ( 4.615 7.205 -0.119) 8.557 10.273 ( 1.241 2.374 1.754) 3.202 10.680 ( 0.071 0.698 -4.042) 4.103 11.022 ( 7.279 -4.989 -0.553) 8.842 11.150 ( 4.701 6.106 1.473) 7.845 11.294 ( 2.518 3.090 4.462) 5.983 11.543 ( -1.273 0.398 -1.933) 2.348 11.742 ( 7.114 -7.079 18.330) 20.898 11.997 ( 13.343 14.324 11.113) 22.510 12.721 ( 6.403 -0.916 -0.409) 6.481 12.782 ( 1.515 1.175 -1.509) 2.441 13.199 ( 1.728 0.030 2.301) 2.878 13.256 ( -14.065 0.794 -0.240) 14.089 13.498 ( 0.356 1.648 -3.071) 3.503 14.891 ( -46.093 -14.885 -36.108) 60.414 15.761 ( 1.474 0.108 4.698) 4.925 16.280 ( 1.767 0.297 -1.486) 2.328 ======================= Grid point 95 (35/160) ======================= q-point: ( 0.11 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 14.554 -0.000 5.601) 15.594 0.903 ( 15.573 -0.000 18.775) 24.393 1.481 ( 23.164 -0.000 4.591) 23.614 1.607 ( 14.557 -0.000 19.700) 24.494 2.349 ( 8.171 -0.000 -10.742) 13.497 2.605 ( 6.243 -0.000 -10.092) 11.867 2.722 ( -9.484 0.000 -7.262) 11.945 2.781 ( 5.414 -0.000 2.129) 5.817 2.950 ( 4.132 -0.000 -3.145) 5.192 3.035 ( -2.383 0.000 11.834) 12.072 3.195 ( 3.894 -0.000 -2.023) 4.388 3.643 ( -2.199 0.000 7.075) 7.409 3.703 ( -0.375 0.000 8.828) 8.836 3.908 ( -0.491 0.000 7.122) 7.139 4.045 ( 0.499 -0.000 -2.591) 2.639 4.056 ( -4.747 0.000 -0.558) 4.780 4.420 ( -5.055 0.000 -0.815) 5.120 4.423 ( -9.566 0.000 -1.767) 9.728 4.551 ( -2.458 0.000 2.457) 3.476 4.687 ( 2.528 -0.000 -6.211) 6.706 4.991 ( 5.337 -0.000 -8.819) 10.308 5.113 ( 3.960 -0.000 -1.850) 4.371 5.423 ( 0.380 -0.000 0.330) 0.504 5.759 ( -2.235 0.000 -3.892) 4.489 5.839 ( 1.107 -0.000 1.295) 1.704 6.230 ( -7.896 0.000 6.965) 10.529 6.284 ( -16.691 0.000 22.876) 28.317 6.653 ( -3.372 0.000 2.837) 4.406 6.811 ( -4.745 0.000 -0.603) 4.783 7.118 ( 0.615 -0.000 0.236) 0.659 7.708 ( -0.274 0.000 -4.126) 4.135 8.196 ( -10.589 0.000 -10.463) 14.887 8.771 ( 0.693 -0.000 8.086) 8.116 9.109 ( -0.694 0.000 4.335) 4.390 9.205 ( 0.594 -0.000 -2.826) 2.887 9.236 ( -1.697 0.000 3.830) 4.190 9.396 ( 1.844 -0.000 1.194) 2.197 9.580 ( 1.955 -0.000 -0.588) 2.042 10.212 ( -1.835 0.000 1.312) 2.256 10.683 ( 1.638 -0.000 -1.815) 2.444 10.894 ( -6.741 0.000 -6.521) 9.379 11.142 ( 2.263 -0.000 -1.114) 2.523 11.484 ( 5.283 -0.000 1.247) 5.428 11.624 ( 3.629 -0.000 -3.523) 5.057 11.655 ( -6.490 0.000 22.319) 23.244 11.829 ( -1.885 0.000 8.813) 9.012 12.621 ( -5.475 0.000 -0.647) 5.513 12.721 ( -3.431 0.000 -2.290) 4.125 13.101 ( 0.614 -0.000 -1.144) 1.298 13.489 ( -1.300 0.000 -0.545) 1.409 13.633 ( 14.248 -0.000 6.277) 15.569 15.081 ( 21.424 -0.000 -33.200) 39.512 15.709 ( -2.711 0.000 3.169) 4.170 16.239 ( -2.811 0.000 -1.228) 3.068 ======================= Grid point 96 (36/160) ======================= q-point: ( 0.22 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 14.264 -4.535 0.829) 14.990 1.178 ( 13.346 -4.398 17.595) 22.518 1.722 ( 10.011 -2.898 6.722) 12.401 1.990 ( 20.631 -1.066 6.389) 21.624 2.497 ( -1.498 0.038 -10.819) 10.922 2.548 ( 1.669 1.612 -2.760) 3.606 2.747 ( 9.412 0.941 -8.185) 12.509 2.854 ( 3.626 -0.221 4.566) 5.835 2.929 ( 1.182 7.780 4.234) 8.936 3.072 ( 1.395 -5.109 7.253) 8.980 3.269 ( 4.813 0.422 -0.948) 4.924 3.551 ( -5.982 3.218 3.784) 7.775 3.671 ( -6.495 -4.433 5.720) 9.724 3.850 ( -3.706 8.862 5.075) 10.865 3.957 ( -0.426 0.966 4.106) 4.240 4.084 ( -3.532 -6.419 -0.764) 7.367 4.257 ( -8.029 1.861 -2.108) 8.507 4.366 ( -2.549 -3.246 -1.400) 4.358 4.518 ( -3.087 -1.969 3.686) 5.195 4.744 ( 4.339 0.813 -6.705) 8.027 5.054 ( 3.250 2.668 -5.335) 6.793 5.167 ( 1.126 -2.847 -0.372) 3.084 5.419 ( -0.017 1.969 -3.535) 4.046 5.650 ( -9.087 1.685 6.219) 11.139 5.868 ( 2.054 -0.098 2.281) 3.071 5.999 ( -7.130 0.932 10.590) 12.800 6.243 ( -0.372 0.400 -2.856) 2.908 6.608 ( -2.120 -0.095 2.370) 3.181 6.756 ( -3.285 -2.542 -0.575) 4.193 7.122 ( -0.101 0.132 0.665) 0.686 7.695 ( -0.814 0.847 -4.715) 4.859 8.034 ( -7.282 0.214 -11.981) 14.022 8.775 ( 0.227 1.035 11.565) 11.613 9.076 ( 0.130 10.782 -0.665) 10.803 9.083 ( -1.442 0.589 4.897) 5.139 9.317 ( -5.217 -9.529 0.419) 10.872 9.455 ( 4.472 -2.474 2.468) 5.676 9.620 ( 2.407 0.123 -2.079) 3.183 10.217 ( 0.676 -3.273 0.187) 3.347 10.685 ( 1.125 4.218 -3.360) 5.509 10.836 ( -3.125 -3.367 -9.534) 10.583 11.183 ( 3.621 1.844 -0.697) 4.123 11.555 ( 2.324 5.342 9.543) 11.181 11.592 ( 2.334 -0.439 5.616) 6.097 11.721 ( 1.897 -5.557 1.014) 5.959 11.816 ( -0.075 -0.933 6.123) 6.194 12.552 ( -1.845 0.255 -0.845) 2.046 12.665 ( -4.340 -1.857 -2.294) 5.248 13.107 ( 0.411 0.047 -0.032) 0.415 13.474 ( -0.888 -0.720 -0.555) 1.271 13.851 ( 10.420 -0.137 6.253) 12.153 15.279 ( 8.123 5.117 -20.299) 22.455 15.658 ( -3.432 -0.461 3.441) 4.882 16.191 ( -2.590 -0.109 -1.040) 2.793 ======================= Grid point 97 (37/160) ======================= q-point: ( 0.33 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 12.006 -4.112 -0.541) 12.702 1.414 ( 7.341 -5.523 15.568) 18.077 1.915 ( 9.084 -2.250 7.039) 11.711 2.218 ( 3.657 -0.691 -0.417) 3.745 2.309 ( -10.336 -0.276 -5.179) 11.564 2.689 ( 7.873 3.014 5.234) 9.923 2.860 ( 5.506 4.717 2.990) 7.842 2.914 ( 5.505 0.265 -1.863) 5.818 2.955 ( 5.531 0.120 -2.810) 6.205 3.124 ( -0.855 -3.434 6.197) 7.136 3.313 ( 0.747 2.506 1.152) 2.857 3.431 ( -3.235 2.441 0.163) 4.056 3.600 ( -3.720 -2.055 2.726) 5.049 3.696 ( -4.184 7.328 5.989) 10.348 3.949 ( -1.847 -0.905 0.035) 2.057 4.069 ( -5.193 -6.315 4.662) 9.412 4.115 ( -6.681 0.895 -2.141) 7.072 4.394 ( 0.212 -6.016 -0.414) 6.034 4.488 ( -2.517 -2.388 2.758) 4.432 4.805 ( 5.155 3.079 -6.667) 8.972 5.052 ( 0.829 3.827 -5.203) 6.512 5.197 ( -2.018 -3.771 4.195) 5.991 5.351 ( -3.390 6.827 1.757) 7.823 5.527 ( -2.780 -1.503 -0.583) 3.214 5.902 ( 1.851 0.594 3.265) 3.800 5.932 ( -1.637 0.345 -0.899) 1.900 6.240 ( 0.595 0.360 -1.549) 1.698 6.586 ( -0.727 -0.311 2.227) 2.363 6.752 ( 0.129 -2.172 -0.639) 2.268 7.115 ( -0.491 0.276 1.133) 1.266 7.666 ( -1.215 0.925 -5.460) 5.669 7.953 ( -2.908 -1.618 -11.728) 12.191 8.765 ( 0.724 2.981 11.138) 11.553 8.989 ( -1.680 4.403 0.303) 4.722 9.065 ( -0.763 -0.225 3.524) 3.613 9.293 ( -5.015 -4.933 2.161) 7.359 9.550 ( 3.485 -1.893 4.342) 5.881 9.652 ( 1.337 -0.565 -2.770) 3.128 10.289 ( 2.564 -4.845 -0.731) 5.530 10.653 ( 0.002 3.823 -3.781) 5.377 10.819 ( -2.311 -2.590 -11.220) 11.745 11.222 ( 3.416 2.643 0.849) 4.402 11.523 ( 0.768 5.208 11.202) 12.378 11.635 ( 1.065 0.295 4.778) 4.904 11.775 ( -1.055 -4.542 1.177) 4.809 11.861 ( 3.845 0.007 0.989) 3.970 12.566 ( 3.623 0.375 -1.823) 4.073 12.614 ( -3.106 -1.538 -1.892) 3.949 13.119 ( 1.099 0.089 1.530) 1.886 13.471 ( -0.331 -0.837 -0.718) 1.151 13.970 ( 3.008 -0.038 5.316) 6.108 15.285 ( -2.057 2.948 -13.082) 13.567 15.624 ( -0.393 -0.067 3.595) 3.618 16.161 ( -0.821 -0.096 -0.806) 1.154 ======================= Grid point 98 (38/160) ======================= q-point: (-0.56 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 2.727 0.087 8.365) 8.799 1.513 ( 0.846 -1.319 4.387) 4.658 1.986 ( -4.099 4.726 7.590) 9.836 2.167 ( -0.021 -5.474 -3.490) 6.492 2.252 ( -4.300 -0.980 -0.321) 4.422 2.749 ( 1.845 -0.860 10.724) 10.915 2.880 ( -1.104 2.510 8.075) 8.527 2.928 ( -3.079 1.011 3.410) 4.705 3.033 ( 3.448 0.329 -8.209) 8.909 3.174 ( 3.821 -1.814 2.634) 4.983 3.272 ( -1.218 0.564 1.165) 1.777 3.403 ( 1.822 4.635 -0.366) 4.994 3.537 ( -5.731 -1.120 1.076) 5.938 3.640 ( 4.650 5.724 4.383) 8.579 3.907 ( -6.414 -0.524 -3.370) 7.264 3.951 ( -6.354 -2.013 -2.645) 7.171 4.099 ( -2.372 -6.535 6.204) 9.318 4.476 ( 3.141 -1.248 2.770) 4.370 4.500 ( -0.952 -8.856 -0.917) 8.954 4.854 ( 5.465 5.217 -7.333) 10.529 5.018 ( -0.162 3.644 -6.531) 7.480 5.174 ( -3.742 -3.365 12.432) 13.412 5.244 ( -0.885 6.201 -0.626) 6.295 5.549 ( 1.265 -3.100 -4.667) 5.744 5.913 ( 0.822 1.822 2.816) 3.453 5.919 ( 0.387 0.310 -2.155) 2.211 6.257 ( 1.657 0.306 -1.037) 1.978 6.587 ( 0.434 -0.268 2.513) 2.564 6.800 ( 3.710 -0.613 -0.542) 3.799 7.105 ( -0.382 0.124 1.170) 1.237 7.642 ( -0.902 -0.300 -5.765) 5.843 7.955 ( 0.309 -3.230 -10.196) 10.700 8.742 ( -0.050 3.731 9.572) 10.274 8.940 ( -1.249 0.552 1.329) 1.905 9.060 ( -0.263 -0.459 2.718) 2.769 9.250 ( -5.295 -4.330 2.264) 7.205 9.611 ( 2.920 0.674 2.084) 3.650 9.680 ( 0.797 -1.921 0.926) 2.277 10.372 ( 2.187 -2.748 -0.810) 3.605 10.616 ( -0.676 1.888 -3.198) 3.775 10.807 ( -1.191 -1.722 -12.611) 12.784 11.243 ( 1.636 2.186 2.933) 4.007 11.485 ( 0.301 4.954 8.417) 9.771 11.635 ( -0.494 -0.005 7.224) 7.241 11.778 ( -2.322 -1.593 -0.909) 2.959 11.917 ( 2.922 0.171 1.124) 3.135 12.574 ( -0.853 -0.084 -1.156) 1.439 12.670 ( 7.672 2.103 -3.905) 8.862 13.145 ( 2.264 0.711 3.232) 4.009 13.480 ( 0.736 -0.516 -1.046) 1.379 13.953 ( -4.852 0.251 3.804) 6.171 15.170 ( -10.964 -4.076 -8.746) 14.605 15.646 ( 3.078 1.094 3.032) 4.457 16.167 ( 1.456 0.093 -0.667) 1.604 ======================= Grid point 99 (39/160) ======================= q-point: (-0.44 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -9.785 5.256 14.818) 18.519 1.441 ( -7.349 8.793 -1.124) 11.515 1.843 ( -6.234 3.217 3.802) 7.979 2.142 ( -8.216 -1.891 -2.956) 8.934 2.233 ( -1.598 -1.880 7.695) 8.081 2.752 ( -3.871 -2.639 9.035) 10.178 2.850 ( -2.419 -4.160 7.241) 8.694 2.895 ( 2.402 3.096 3.983) 5.588 2.967 ( -10.875 -0.878 -3.220) 11.375 3.180 ( -1.289 1.549 3.850) 4.346 3.311 ( 2.186 2.430 0.423) 3.296 3.406 ( -3.228 1.073 -0.061) 3.402 3.470 ( 4.040 3.678 -4.221) 6.904 3.656 ( 3.106 2.426 4.940) 6.319 3.805 ( -2.572 -2.131 -2.555) 4.205 3.974 ( 2.178 -6.818 -4.177) 8.287 4.131 ( -1.370 -6.208 4.393) 7.727 4.520 ( 3.485 1.324 3.109) 4.855 4.585 ( -0.271 -6.304 -1.660) 6.524 4.887 ( 3.765 4.215 -9.591) 11.132 4.990 ( 0.306 1.051 -5.185) 5.300 5.175 ( -2.745 1.210 -4.055) 5.045 5.191 ( 2.511 -0.939 14.381) 14.629 5.604 ( 1.754 -2.645 -2.423) 3.993 5.896 ( -0.312 2.562 3.743) 4.547 5.941 ( 2.359 -0.329 -0.842) 2.526 6.282 ( 1.561 0.331 -1.127) 1.953 6.608 ( 1.894 0.228 2.937) 3.502 6.881 ( 6.291 1.593 -0.431) 6.504 7.102 ( -0.026 -0.368 0.660) 0.756 7.638 ( -0.709 -1.743 -5.618) 5.925 8.017 ( 2.498 -4.871 -7.884) 9.598 8.689 ( -2.510 3.280 7.524) 8.583 8.932 ( -0.582 -1.583 2.729) 3.209 9.068 ( 0.871 0.200 3.140) 3.265 9.208 ( -4.903 -5.188 0.212) 7.141 9.623 ( -1.253 -0.020 -2.550) 2.841 9.726 ( 3.324 -0.067 5.764) 6.654 10.399 ( 1.069 2.607 -0.437) 2.851 10.610 ( 0.433 -1.567 -3.200) 3.590 10.812 ( 0.644 -1.101 -12.097) 12.164 11.235 ( -0.635 1.193 4.698) 4.889 11.443 ( 0.214 4.762 5.758) 7.475 11.627 ( -0.646 0.144 8.965) 8.990 11.730 ( -3.653 0.372 -2.058) 4.209 11.968 ( 3.647 0.427 2.507) 4.447 12.580 ( 2.334 1.127 -0.465) 2.634 12.764 ( 6.274 3.440 -5.074) 8.772 13.175 ( 2.326 1.682 3.960) 4.891 13.502 ( 1.359 0.422 -1.246) 1.891 13.817 ( -9.490 1.706 1.920) 9.832 15.011 ( -16.669 -12.183 -7.817) 22.077 15.695 ( 3.729 1.305 3.214) 5.093 16.203 ( 2.853 0.313 -0.772) 2.972 ======================= Grid point 100 (40/160) ======================= q-point: (-0.33 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -11.566 10.316 13.746) 20.716 1.140 ( -14.857 10.793 3.603) 18.714 1.668 ( -8.355 8.186 1.911) 11.853 1.981 ( -10.408 6.978 9.390) 15.658 2.152 ( -9.962 -5.425 5.548) 12.627 2.718 ( -5.013 -0.482 1.040) 5.142 2.749 ( -12.093 -0.041 1.515) 12.188 2.811 ( -2.031 0.608 2.387) 3.192 2.949 ( 2.729 -0.262 5.584) 6.220 3.150 ( -4.083 -2.599 0.394) 4.857 3.225 ( -7.292 1.635 -5.034) 9.011 3.353 ( 4.716 2.377 4.487) 6.930 3.529 ( 4.058 2.284 3.058) 5.570 3.806 ( 3.626 -2.915 0.156) 4.655 3.820 ( 8.425 -2.830 -1.311) 8.984 4.118 ( 3.064 -9.180 -1.177) 9.749 4.172 ( 1.336 -4.612 1.096) 4.925 4.572 ( 4.211 1.983 2.823) 5.443 4.606 ( -0.599 -0.876 -3.233) 3.403 4.880 ( -0.159 2.795 -9.855) 10.245 5.003 ( 0.186 -0.928 -5.991) 6.065 5.097 ( -3.875 2.173 -4.203) 6.116 5.288 ( 3.779 -5.000 11.806) 13.366 5.651 ( 2.040 -0.206 0.208) 2.061 5.863 ( -0.812 1.941 2.967) 3.637 6.014 ( 4.704 -3.081 6.800) 8.823 6.302 ( 1.118 -0.133 0.637) 1.293 6.647 ( 3.188 0.802 2.619) 4.203 6.976 ( 7.898 3.807 -0.577) 8.786 7.112 ( 0.696 -0.778 0.124) 1.052 7.647 ( -0.662 -2.433 -5.580) 6.124 8.123 ( 3.138 -6.887 -5.050) 9.098 8.598 ( -5.155 2.080 5.186) 7.602 8.949 ( 0.194 -2.718 4.270) 5.065 9.074 ( -0.177 0.720 5.000) 5.055 9.187 ( -4.260 -6.104 -2.809) 7.956 9.575 ( -4.097 -0.032 -2.122) 4.614 9.786 ( 4.167 1.365 3.896) 5.866 10.382 ( 2.657 6.202 0.464) 6.763 10.646 ( 0.962 -2.559 -5.890) 6.494 10.852 ( 3.198 -1.357 -8.092) 8.806 11.209 ( -1.492 0.122 5.137) 5.351 11.402 ( 0.214 4.692 5.039) 6.889 11.608 ( -1.321 1.228 7.519) 7.732 11.669 ( -2.007 0.585 0.633) 2.184 12.044 ( 7.065 1.906 3.508) 8.115 12.631 ( 5.224 1.677 -0.121) 5.488 12.810 ( 3.114 3.112 -4.304) 6.157 13.190 ( 1.154 1.243 3.458) 3.852 13.477 ( -5.913 0.398 0.220) 5.931 13.642 ( -4.967 5.438 -1.505) 7.517 14.834 ( -22.367 -18.474 -10.184) 30.746 15.741 ( 2.928 1.105 3.725) 4.865 16.250 ( 2.935 0.413 -1.109) 3.165 ======================= Grid point 101 (41/160) ======================= q-point: (-0.22 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -10.441 14.502 9.672) 20.319 0.802 ( -10.796 9.769 14.554) 20.587 1.406 ( -10.076 15.496 2.446) 18.645 1.677 ( -10.138 12.681 25.995) 30.649 2.056 ( -7.677 -7.108 -0.044) 10.462 2.503 ( -12.055 1.148 -8.322) 14.693 2.652 ( -5.153 1.185 1.523) 5.502 2.817 ( 2.756 -0.018 1.843) 3.315 2.963 ( -0.669 2.077 6.166) 6.541 3.089 ( -2.702 -1.797 -4.989) 5.952 3.136 ( -4.010 -0.579 -2.155) 4.589 3.473 ( 7.517 -1.714 11.274) 13.659 3.576 ( 2.564 -0.722 5.616) 6.216 3.851 ( 4.354 1.952 -9.540) 10.666 4.031 ( 7.466 -4.796 2.378) 9.187 4.155 ( -3.418 -4.277 2.933) 6.211 4.329 ( 6.383 -7.225 -2.376) 9.929 4.593 ( 0.013 1.276 -1.952) 2.332 4.619 ( 2.166 0.965 -0.363) 2.398 4.845 ( -0.374 1.929 -10.973) 11.148 4.978 ( -0.968 4.063 -4.118) 5.866 5.008 ( -7.378 -3.122 -6.043) 10.035 5.387 ( 1.357 -4.672 7.348) 8.813 5.680 ( 3.096 2.562 0.384) 4.037 5.840 ( -0.516 0.450 1.609) 1.748 6.158 ( 4.470 -6.245 8.631) 11.553 6.361 ( 4.260 -7.420 15.763) 17.935 6.695 ( 3.265 1.038 1.957) 3.946 7.063 ( 4.867 2.348 -0.464) 5.424 7.164 ( 7.592 1.304 0.886) 7.754 7.658 ( -0.546 -2.160 -5.781) 6.196 8.235 ( 1.088 -7.708 -1.303) 7.892 8.486 ( -6.140 0.459 2.507) 6.648 8.997 ( 1.440 -4.021 6.688) 7.936 9.046 ( -3.600 -1.531 4.333) 5.838 9.170 ( -3.091 -3.551 -2.416) 5.292 9.499 ( -4.046 0.171 -0.916) 4.152 9.835 ( 2.866 1.603 -0.405) 3.309 10.373 ( 3.637 7.525 1.332) 8.463 10.674 ( 0.008 -1.390 -9.042) 9.148 10.942 ( 4.344 -3.326 -3.152) 6.314 11.198 ( -0.014 -0.712 3.708) 3.775 11.366 ( 0.520 3.418 6.072) 6.987 11.568 ( -0.940 2.204 3.141) 3.951 11.670 ( 1.797 -1.115 8.520) 8.779 12.203 ( 17.172 4.293 3.417) 18.027 12.724 ( 7.866 2.071 0.121) 8.135 12.815 ( 0.843 2.137 -2.261) 3.223 13.193 ( -0.930 -0.704 1.502) 1.902 13.295 ( -10.701 3.243 2.128) 11.382 13.553 ( -2.119 3.770 -3.982) 5.879 14.551 ( -33.345 -16.227 -15.907) 40.351 15.771 ( 1.448 0.811 4.166) 4.484 16.288 ( 1.892 0.432 -1.532) 2.472 ======================= Grid point 102 (42/160) ======================= q-point: (-0.11 0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 4.578 14.638 12.298) 19.659 0.618 ( 1.210 11.812 18.843) 22.272 1.062 ( -4.684 21.076 19.946) 29.393 1.505 ( -1.851 4.863 22.665) 23.255 2.126 ( 11.343 -8.037 1.030) 13.940 2.330 ( -6.705 0.202 -11.174) 13.033 2.567 ( -2.048 1.971 -3.876) 4.806 2.868 ( 1.438 -0.276 -0.247) 1.485 2.915 ( -1.374 2.250 3.098) 4.068 3.073 ( -1.796 -0.342 4.055) 4.448 3.108 ( 0.616 -1.138 -3.195) 3.448 3.581 ( 2.015 -3.107 9.378) 10.082 3.651 ( 5.509 0.925 9.938) 11.400 3.892 ( 3.251 3.502 -11.591) 12.538 4.111 ( -5.062 -1.395 2.373) 5.762 4.144 ( 1.848 -2.148 0.921) 2.979 4.463 ( 2.312 -3.923 0.635) 4.598 4.580 ( -0.936 -0.392 -4.269) 4.387 4.620 ( -1.424 -0.293 0.109) 1.458 4.844 ( 2.126 0.750 -12.118) 12.326 4.868 ( -8.939 0.874 -4.470) 10.032 4.960 ( 2.646 1.993 -2.752) 4.307 5.417 ( -1.182 -2.085 4.397) 5.008 5.718 ( 3.553 1.446 -2.918) 4.819 5.833 ( -0.293 0.050 0.744) 0.801 6.224 ( 0.724 -1.196 -2.797) 3.127 6.583 ( -1.516 -20.723 23.348) 31.255 6.739 ( 1.507 -2.232 5.337) 5.978 7.091 ( 0.837 0.148 -0.115) 0.858 7.320 ( 0.257 -3.502 5.963) 6.920 7.675 ( 1.152 -2.065 -5.046) 5.573 8.338 ( 8.468 -6.719 3.166) 11.264 8.425 ( -1.618 -2.831 -1.044) 3.424 8.978 ( -7.070 -5.320 7.954) 11.898 9.092 ( 1.974 -7.649 6.850) 10.456 9.162 ( 1.018 0.527 -1.210) 1.666 9.462 ( -0.021 -0.646 0.390) 0.755 9.818 ( -3.470 3.730 -5.404) 7.426 10.341 ( 0.432 6.752 1.908) 7.030 10.669 ( -1.367 -0.732 -7.548) 7.706 11.034 ( 1.776 -4.365 -1.509) 4.949 11.199 ( -1.721 0.126 0.086) 1.728 11.377 ( 1.712 -0.997 5.253) 5.614 11.541 ( -0.065 1.317 2.269) 2.625 11.745 ( 1.731 -5.404 14.091) 15.191 12.572 ( 9.120 -10.848 -0.541) 14.182 12.819 ( 2.115 1.545 0.554) 2.677 12.894 ( 19.756 4.355 -0.552) 20.238 13.015 ( -19.982 1.471 3.931) 20.418 13.200 ( -1.523 -1.058 2.285) 2.943 13.487 ( 1.899 2.212 -5.622) 6.333 14.003 ( -20.157 14.016 -18.098) 30.501 15.773 ( -0.478 0.574 4.199) 4.265 16.300 ( 0.009 0.477 -1.739) 1.803 ======================= Grid point 105 (43/160) ======================= q-point: ( 0.22 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 14.597 -0.000 -3.431) 14.995 1.355 ( 8.886 -0.000 17.456) 19.588 1.889 ( 11.058 -0.000 5.660) 12.422 2.214 ( 5.524 -0.000 2.171) 5.935 2.304 ( -12.446 0.000 -6.282) 13.941 2.725 ( 6.995 -0.000 6.872) 9.806 2.901 ( 2.550 -0.000 4.267) 4.971 2.909 ( 8.866 -0.000 -5.953) 10.679 2.982 ( 3.742 -0.000 -3.757) 5.302 3.072 ( -0.855 0.000 7.397) 7.446 3.342 ( 0.527 -0.000 -2.832) 2.880 3.514 ( 2.352 -0.000 5.320) 5.817 3.517 ( -7.863 0.000 3.579) 8.640 3.855 ( -4.031 0.000 8.423) 9.338 3.912 ( -2.020 0.000 1.118) 2.309 3.965 ( -5.212 0.000 -2.424) 5.748 4.127 ( -8.197 0.000 -3.241) 8.815 4.303 ( -3.526 0.000 2.932) 4.586 4.479 ( -0.490 0.000 3.860) 3.891 4.832 ( 5.297 -0.000 -6.628) 8.485 5.110 ( 1.003 -0.000 -3.091) 3.249 5.144 ( -1.260 0.000 2.950) 3.208 5.431 ( 0.192 -0.000 -7.420) 7.422 5.507 ( -7.497 0.000 6.696) 10.052 5.908 ( 2.442 -0.000 3.289) 4.097 5.935 ( -1.877 0.000 -0.186) 1.887 6.243 ( 0.387 -0.000 -1.445) 1.496 6.584 ( -0.739 0.000 2.074) 2.202 6.728 ( 1.238 -0.000 -1.033) 1.612 7.117 ( -0.530 0.000 1.103) 1.223 7.677 ( -1.601 0.000 -4.776) 5.038 7.933 ( -3.974 0.000 -12.270) 12.898 8.795 ( 0.837 -0.000 11.816) 11.845 9.062 ( -1.052 0.000 3.208) 3.376 9.076 ( -5.580 0.000 -0.730) 5.628 9.202 ( -3.003 0.000 3.137) 4.342 9.525 ( 5.009 -0.000 3.042) 5.860 9.650 ( 0.920 -0.000 -2.503) 2.667 10.239 ( 3.849 -0.000 0.614) 3.897 10.700 ( -1.847 0.000 -3.413) 3.880 10.784 ( -0.979 0.000 -12.001) 12.041 11.248 ( 2.471 -0.000 2.355) 3.414 11.585 ( -0.471 0.000 17.038) 17.044 11.666 ( 4.159 -0.000 0.240) 4.166 11.694 ( -1.419 0.000 -0.672) 1.570 11.863 ( 4.517 -0.000 0.286) 4.526 12.573 ( 4.862 -0.000 -1.737) 5.163 12.595 ( -2.729 0.000 -2.133) 3.464 13.120 ( 1.281 -0.000 1.397) 1.895 13.461 ( -0.256 0.000 -0.556) 0.612 13.969 ( 3.069 -0.000 5.481) 6.281 15.314 ( -6.128 0.000 -13.498) 14.824 15.626 ( 0.707 -0.000 3.125) 3.204 16.160 ( -0.746 0.000 -0.817) 1.106 ======================= Grid point 106 (44/160) ======================= q-point: ( 0.33 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 6.634 1.126 7.819) 10.316 1.475 ( 7.331 -2.294 3.766) 8.555 2.069 ( 3.690 2.561 3.654) 5.790 2.099 ( -5.556 -0.517 -5.005) 7.496 2.211 ( -5.355 -2.767 4.527) 7.538 2.739 ( -2.492 -0.196 12.817) 13.058 2.879 ( -7.456 -0.507 6.876) 10.155 3.003 ( -0.133 4.047 4.198) 5.833 3.029 ( 0.651 -0.359 -7.345) 7.382 3.125 ( 9.344 -2.885 1.493) 9.892 3.315 ( -0.619 3.037 -2.141) 3.767 3.435 ( -0.440 -2.311 -2.153) 3.189 3.573 ( 1.454 5.021 3.922) 6.535 3.761 ( 0.310 4.741 3.803) 6.086 3.881 ( -4.737 -1.183 -2.615) 5.539 3.907 ( -7.130 -4.785 -1.608) 8.736 4.016 ( -2.420 1.711 2.064) 3.612 4.269 ( -3.967 -10.219 3.655) 11.555 4.496 ( 2.379 0.428 3.341) 4.124 4.908 ( 4.224 1.124 -6.128) 7.527 5.089 ( -0.555 2.705 -3.239) 4.257 5.130 ( -2.134 -1.358 6.990) 7.434 5.373 ( -1.460 6.290 -1.753) 6.691 5.476 ( -0.323 -4.456 -4.057) 6.035 5.921 ( 0.122 0.011 -2.950) 2.952 5.942 ( 1.769 0.873 4.022) 4.480 6.259 ( 1.396 -0.000 -0.850) 1.635 6.584 ( 0.765 -0.070 2.445) 2.563 6.788 ( 5.242 -0.413 -1.082) 5.369 7.107 ( -0.592 0.086 1.169) 1.313 7.643 ( -1.983 0.172 -5.007) 5.388 7.902 ( -0.602 -1.717 -11.047) 11.196 8.796 ( -0.451 1.447 11.170) 11.272 8.976 ( -3.433 2.655 -0.468) 4.365 9.054 ( -0.218 -0.405 0.856) 0.972 9.160 ( -4.841 -3.941 5.270) 8.170 9.613 ( 4.571 -0.416 3.344) 5.679 9.652 ( -0.591 -0.585 -1.988) 2.155 10.335 ( 6.298 -0.930 0.664) 6.401 10.645 ( -3.402 0.880 -3.939) 5.278 10.780 ( 0.058 -0.821 -12.401) 12.428 11.265 ( -0.294 0.354 5.429) 5.448 11.570 ( 0.029 2.961 14.328) 14.631 11.651 ( -0.774 1.611 0.947) 2.023 11.732 ( 0.112 -2.853 -0.474) 2.895 11.922 ( 2.469 0.234 -1.345) 2.821 12.573 ( 0.170 -0.013 -1.362) 1.373 12.704 ( 9.669 1.072 -5.065) 10.968 13.160 ( 3.925 0.645 3.804) 5.504 13.464 ( 0.323 -0.731 -0.638) 1.023 13.956 ( -4.247 0.121 3.781) 5.688 15.116 ( -16.375 -1.451 -8.228) 18.383 15.665 ( 3.458 0.635 2.288) 4.195 16.168 ( 1.624 0.020 -0.617) 1.737 ======================= Grid point 107 (45/160) ======================= q-point: (-0.56 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -5.373 3.143 15.642) 16.835 1.602 ( 3.671 6.397 -4.537) 8.659 1.872 ( -9.465 1.756 0.064) 9.626 2.076 ( -9.069 -4.976 -2.531) 10.650 2.241 ( 3.252 1.747 9.666) 10.347 2.699 ( -4.980 -2.329 10.588) 11.930 2.761 ( -3.991 -3.946 8.208) 9.943 2.924 ( -8.203 -0.847 -3.439) 8.935 2.986 ( -1.562 2.769 7.545) 8.187 3.246 ( -0.176 4.709 -0.928) 4.803 3.336 ( 7.810 0.333 0.783) 7.856 3.443 ( -6.318 1.043 -4.459) 7.804 3.520 ( 5.284 3.620 0.337) 6.414 3.744 ( -7.845 -1.832 -3.393) 8.741 3.787 ( 3.686 5.708 3.694) 7.734 3.863 ( -2.054 -3.978 -3.853) 5.906 3.991 ( -2.128 -5.400 4.424) 7.298 4.382 ( 1.583 -13.044 1.172) 13.192 4.546 ( 4.150 0.988 3.260) 5.369 4.944 ( 1.537 1.636 -6.428) 6.809 5.041 ( -1.516 2.988 -3.302) 4.705 5.125 ( 0.329 -1.207 7.161) 7.269 5.299 ( -0.241 6.254 -1.992) 6.568 5.531 ( 1.358 -4.759 -3.142) 5.862 5.935 ( 1.213 -0.064 -1.398) 1.852 5.948 ( 0.687 2.100 3.393) 4.049 6.283 ( 1.158 -0.166 -0.936) 1.499 6.613 ( 2.621 0.252 3.142) 4.100 6.900 ( 7.721 0.461 -0.990) 7.798 7.099 ( -0.348 -0.033 0.704) 0.786 7.613 ( -1.693 -0.851 -5.191) 5.526 7.934 ( 1.514 -3.334 -8.979) 9.697 8.747 ( -3.375 2.611 8.935) 9.901 8.923 ( -1.161 0.307 1.140) 1.656 9.062 ( -0.688 -2.609 -2.061) 3.395 9.118 ( -3.478 -2.002 6.777) 7.875 9.619 ( -2.285 -0.348 -2.852) 3.671 9.711 ( 4.606 -1.008 4.698) 6.656 10.447 ( 6.966 2.168 0.169) 7.297 10.587 ( -2.604 -0.860 -3.774) 4.666 10.796 ( 1.352 -0.544 -11.918) 12.007 11.239 ( -2.750 -0.344 6.776) 7.320 11.535 ( 0.026 4.462 8.990) 10.036 11.636 ( -0.112 0.500 5.485) 5.509 11.729 ( -2.297 -0.692 -1.433) 2.795 11.959 ( 2.113 -0.972 -0.446) 2.368 12.600 ( 3.426 0.802 -0.359) 3.537 12.825 ( 6.139 2.402 -7.042) 9.646 13.224 ( 4.344 3.100 5.055) 7.350 13.489 ( 0.989 -1.564 -0.574) 1.937 13.852 ( -5.848 1.734 1.257) 6.228 14.821 ( -22.444 -7.079 -6.175) 24.330 15.718 ( 3.556 0.987 2.770) 4.615 16.208 ( 2.985 0.178 -0.640) 3.058 ======================= Grid point 108 (46/160) ======================= q-point: (-0.44 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -9.086 6.993 14.069) 18.149 1.390 ( -11.775 13.999 1.862) 18.388 1.789 ( -2.415 3.061 -2.596) 4.684 1.971 ( -7.383 -3.427 0.989) 8.199 2.175 ( -7.351 3.574 12.353) 14.812 2.671 ( -2.170 -3.259 7.755) 8.687 2.720 ( -9.708 -1.636 0.404) 9.854 2.841 ( -0.588 -1.080 3.101) 3.336 2.955 ( 1.700 1.812 6.062) 6.551 3.142 ( -5.528 2.862 0.151) 6.227 3.267 ( -9.038 2.457 -4.961) 10.599 3.409 ( 3.417 3.243 1.640) 4.989 3.597 ( 0.713 4.363 0.886) 4.508 3.718 ( 8.037 -4.519 3.750) 9.954 3.798 ( 0.218 -0.821 -3.450) 3.553 3.946 ( 2.905 -7.859 -0.842) 8.421 4.044 ( 0.594 -7.727 0.882) 7.800 4.516 ( 1.518 -7.932 -0.460) 8.089 4.611 ( 4.701 1.703 2.481) 5.581 4.923 ( -1.680 1.308 -7.160) 7.470 4.997 ( -1.107 1.669 -4.244) 4.693 5.143 ( -0.333 0.997 -1.389) 1.742 5.253 ( 0.914 1.818 6.035) 6.369 5.607 ( 2.631 -3.920 -0.150) 4.724 5.917 ( -0.619 3.164 4.114) 5.227 5.974 ( 2.191 -1.245 1.373) 2.870 6.296 ( 0.020 -0.460 -0.090) 0.469 6.664 ( 3.823 0.864 3.061) 4.973 7.030 ( 8.569 1.718 -0.982) 8.794 7.098 ( 0.069 -0.527 -0.024) 0.532 7.602 ( -1.090 -1.995 -5.332) 5.796 8.006 ( 2.159 -4.960 -6.843) 8.723 8.643 ( -5.582 2.771 6.279) 8.846 8.922 ( 0.323 -0.949 3.091) 3.250 9.051 ( -6.306 -6.555 0.223) 9.098 9.109 ( 2.396 1.816 3.249) 4.427 9.571 ( -3.803 -0.435 -2.527) 4.586 9.793 ( 4.152 -0.204 3.419) 5.383 10.500 ( 3.713 4.628 -0.513) 5.956 10.603 ( 3.039 -0.882 -4.546) 5.539 10.835 ( 3.092 -0.389 -9.452) 9.953 11.191 ( -3.666 -1.358 6.448) 7.541 11.491 ( -0.516 4.463 7.200) 8.487 11.631 ( -0.035 0.964 7.416) 7.479 11.684 ( -2.249 0.617 -1.327) 2.683 12.029 ( 4.369 -2.869 0.286) 5.234 12.671 ( 6.673 2.110 0.419) 7.011 12.867 ( 2.155 2.451 -5.768) 6.627 13.226 ( -0.763 2.352 4.349) 5.003 13.480 ( -4.064 -0.144 0.438) 4.090 13.760 ( -0.762 6.645 -2.157) 7.028 14.520 ( -23.902 -13.774 -6.211) 28.278 15.763 ( 2.756 1.062 3.301) 4.430 16.257 ( 2.966 0.325 -0.919) 3.122 ======================= Grid point 109 (47/160) ======================= q-point: (-0.33 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -10.406 8.917 12.636) 18.640 1.078 ( -4.983 16.979 6.717) 18.927 1.668 ( -2.739 10.952 -0.721) 11.312 1.912 ( -2.697 0.492 5.105) 5.794 1.949 ( -12.421 5.729 15.419) 20.612 2.513 ( -12.535 -0.262 -5.863) 13.840 2.670 ( -2.546 0.714 5.526) 6.126 2.824 ( 0.715 0.658 -0.794) 1.254 2.998 ( 2.067 0.955 6.716) 7.092 3.061 ( -2.510 -0.555 -2.718) 3.741 3.136 ( -4.210 1.206 1.482) 4.623 3.452 ( 4.485 0.033 4.922) 6.659 3.577 ( 0.803 1.078 3.459) 3.711 3.832 ( 1.891 -3.542 -7.780) 8.755 3.920 ( 5.678 -7.048 0.457) 9.062 4.037 ( -0.085 -6.520 5.179) 8.327 4.178 ( 5.513 -8.223 -2.190) 10.139 4.578 ( -0.173 -2.601 -2.950) 3.937 4.660 ( 3.024 2.468 1.864) 4.326 4.878 ( -2.267 0.136 -6.681) 7.057 4.960 ( -1.501 0.906 -6.352) 6.590 5.072 ( -3.238 4.592 -5.361) 7.766 5.303 ( 1.847 -3.715 8.868) 9.791 5.690 ( 3.393 -1.940 1.647) 4.241 5.873 ( -0.884 2.995 3.521) 4.706 6.042 ( 2.708 -4.388 8.904) 10.289 6.296 ( -1.008 -1.481 2.603) 3.160 6.717 ( 3.233 1.186 2.433) 4.217 7.092 ( 0.865 0.765 -0.440) 1.236 7.172 ( 7.537 -0.088 -0.743) 7.574 7.611 ( -0.375 -2.497 -5.519) 6.069 8.090 ( 0.954 -6.653 -5.014) 8.385 8.521 ( -5.155 3.029 4.658) 7.579 8.946 ( 0.321 -2.342 2.721) 3.605 9.000 ( -5.286 -3.982 3.642) 7.554 9.137 ( 1.995 0.663 1.110) 2.378 9.504 ( -3.803 0.177 -1.929) 4.268 9.849 ( 2.111 0.163 0.613) 2.204 10.519 ( 3.815 5.064 0.593) 6.368 10.654 ( 2.581 1.174 -8.337) 8.806 10.899 ( 3.469 -0.908 -5.387) 6.471 11.158 ( -2.224 -2.595 5.368) 6.363 11.429 ( -2.293 3.349 6.674) 7.811 11.613 ( -0.291 2.093 4.555) 5.021 11.668 ( 1.074 0.364 4.322) 4.468 12.174 ( 8.082 -5.588 -0.280) 9.830 12.791 ( 11.203 3.897 0.756) 11.886 12.860 ( 0.450 2.394 -2.748) 3.672 13.177 ( -3.768 -0.900 1.753) 4.252 13.369 ( -6.982 3.971 2.825) 8.515 13.636 ( -7.475 4.642 -4.490) 9.879 14.295 ( -16.998 -10.677 -8.499) 21.799 15.789 ( 1.393 1.048 3.653) 4.048 16.296 ( 1.878 0.381 -1.313) 2.323 ======================= Grid point 110 (48/160) ======================= q-point: (-0.22 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 4.735 11.750 13.857) 18.775 0.906 ( 4.212 18.003 9.014) 20.569 1.494 ( -2.101 20.336 3.402) 20.726 1.648 ( -6.404 9.691 22.690) 25.491 1.982 ( 5.757 -6.225 3.597) 9.211 2.335 ( -7.355 0.212 -9.888) 12.326 2.603 ( -2.669 1.559 -0.241) 3.100 2.858 ( 1.311 -1.142 -2.805) 3.300 2.969 ( -2.197 3.128 2.615) 4.631 3.063 ( 0.428 -0.611 1.951) 2.089 3.100 ( 1.769 1.052 3.605) 4.151 3.522 ( 0.895 -2.485 7.224) 7.691 3.634 ( 5.806 -1.739 7.540) 9.674 3.892 ( -0.217 -3.837 -11.843) 12.451 4.006 ( -3.229 -8.127 -2.049) 8.982 4.107 ( 2.298 -2.700 5.083) 6.197 4.340 ( 3.163 -7.941 0.150) 8.550 4.567 ( -2.425 -0.773 -4.864) 5.490 4.651 ( -1.103 2.688 1.332) 3.196 4.848 ( -1.959 -0.652 -4.216) 4.694 4.922 ( -0.308 4.685 -9.613) 10.698 5.002 ( 1.378 2.313 -3.677) 4.557 5.357 ( -0.269 -3.857 5.553) 6.766 5.747 ( 2.436 0.586 0.029) 2.505 5.841 ( -0.379 1.355 2.419) 2.799 6.147 ( 1.807 -7.394 12.486) 14.623 6.299 ( -2.710 -5.548 10.610) 12.276 6.743 ( 0.761 0.929 2.476) 2.752 7.098 ( 0.634 0.342 -0.390) 0.819 7.271 ( 0.604 -1.925 0.974) 2.240 7.633 ( 0.375 -2.298 -5.536) 6.006 8.162 ( -0.741 -8.669 -3.714) 9.460 8.446 ( 1.571 2.954 4.056) 5.258 8.932 ( -4.928 -2.150 1.803) 5.671 9.001 ( 1.500 -2.818 5.812) 6.631 9.169 ( 2.814 0.428 1.479) 3.208 9.460 ( -0.392 0.216 -1.351) 1.423 9.850 ( -2.033 0.574 -2.225) 3.068 10.502 ( 0.856 8.045 1.422) 8.215 10.659 ( -0.505 0.804 -10.122) 10.167 10.959 ( 1.601 -3.057 -2.874) 4.491 11.160 ( -1.841 -3.316 3.523) 5.177 11.370 ( -1.871 0.740 6.319) 6.631 11.588 ( 0.084 2.784 4.579) 5.360 11.705 ( 2.650 -0.255 7.826) 8.266 12.366 ( 1.074 -10.684 -1.424) 10.832 12.859 ( 2.848 2.383 0.748) 3.788 12.971 ( 6.063 3.709 -0.837) 7.156 13.075 ( -8.484 2.846 0.187) 8.951 13.191 ( -1.517 0.633 4.430) 4.725 13.527 ( 2.064 2.068 -4.799) 5.619 14.131 ( -5.593 1.871 -12.238) 13.585 15.790 ( -0.304 1.032 3.764) 3.914 16.309 ( 0.015 0.409 -1.587) 1.639 ======================= Grid point 111 (49/160) ======================= q-point: (-0.11 0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 9.199 15.654 10.815) 21.133 0.903 ( 14.354 15.165 10.078) 23.186 1.316 ( 10.906 17.238 16.525) 26.252 1.577 ( 4.042 6.590 14.302) 16.258 2.221 ( 6.770 -8.202 -2.310) 10.883 2.302 ( 7.245 -4.279 -6.678) 10.742 2.582 ( 1.605 -0.334 -3.429) 3.800 2.842 ( -5.351 -1.443 -6.749) 8.733 2.905 ( -0.561 3.470 1.908) 4.000 3.080 ( 1.824 0.609 7.055) 7.313 3.152 ( 4.389 1.399 2.343) 5.168 3.562 ( 0.492 -4.112 7.047) 8.174 3.752 ( 5.050 -0.074 9.702) 10.938 3.873 ( -4.747 -4.337 -7.352) 9.767 3.984 ( -5.891 -2.454 -1.418) 6.537 4.154 ( 0.863 -2.003 1.137) 2.460 4.412 ( -2.802 -6.432 1.791) 7.240 4.519 ( -4.021 0.551 -1.234) 4.242 4.608 ( -0.633 0.415 -3.241) 3.328 4.783 ( -3.552 3.852 -3.871) 6.515 4.908 ( 3.083 1.569 -8.711) 9.373 5.061 ( 6.342 1.767 -4.306) 7.867 5.378 ( -0.840 -3.047 2.843) 4.251 5.766 ( 0.553 0.541 -1.870) 2.024 5.832 ( 0.165 0.398 1.574) 1.631 6.219 ( 0.155 -3.717 2.306) 4.377 6.293 ( -9.915 -11.668 24.027) 28.491 6.721 ( -2.588 0.587 3.268) 4.210 7.107 ( 0.739 0.140 -0.155) 0.768 7.151 ( -12.900 3.551 2.910) 13.693 7.667 ( 0.710 -2.350 -4.684) 5.288 8.208 ( -5.285 -9.034 -6.262) 12.197 8.592 ( 12.920 -6.447 3.831) 14.939 8.852 ( -4.159 1.791 4.460) 6.356 9.062 ( 0.779 -4.059 5.395) 6.796 9.248 ( 6.915 -0.464 1.868) 7.178 9.494 ( 3.801 -0.520 -0.983) 3.961 9.754 ( -7.176 3.654 -3.433) 8.754 10.390 ( -3.667 8.557 2.026) 9.527 10.628 ( -2.151 -0.518 -8.434) 8.719 11.010 ( -0.307 -3.768 -3.044) 4.854 11.131 ( -4.206 -0.870 1.240) 4.470 11.371 ( 0.930 -2.758 6.283) 6.924 11.567 ( 0.741 2.809 4.424) 5.293 11.744 ( 1.279 -0.022 9.584) 9.669 12.235 ( -21.272 1.681 4.591) 21.827 12.708 ( -9.297 2.127 -0.834) 9.574 12.875 ( -0.393 4.634 0.214) 4.656 13.084 ( 0.711 0.078 -2.124) 2.242 13.358 ( 12.452 -0.399 4.581) 13.273 13.606 ( 3.402 4.112 -1.158) 5.461 14.306 ( 29.888 -6.622 -23.168) 38.391 15.762 ( -1.725 1.008 3.630) 4.144 16.288 ( -1.897 0.433 -1.495) 2.454 ======================= Grid point 115 (50/160) ======================= q-point: (-0.67 0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.721 0.000 15.759) 16.193 1.658 ( 10.592 -0.000 -6.581) 12.470 1.960 ( -15.578 0.000 -1.831) 15.686 1.960 ( -6.818 0.000 -0.467) 6.834 2.263 ( 5.436 -0.000 10.018) 11.398 2.675 ( -4.022 0.000 10.421) 11.170 2.720 ( -7.386 0.000 8.812) 11.498 2.910 ( -9.870 0.000 -3.483) 10.466 3.019 ( -0.586 0.000 9.208) 9.227 3.302 ( 7.295 -0.000 2.713) 7.783 3.354 ( 0.191 -0.000 -4.144) 4.148 3.424 ( 3.174 -0.000 -5.743) 6.562 3.596 ( -5.185 0.000 -2.031) 5.568 3.734 ( -2.456 0.000 3.964) 4.663 3.770 ( -3.244 0.000 -3.460) 4.743 3.811 ( -1.815 0.000 -2.241) 2.884 4.078 ( -7.951 0.000 6.315) 10.154 4.152 ( 9.518 -0.000 1.470) 9.631 4.556 ( 4.318 -0.000 3.067) 5.296 4.959 ( 1.202 -0.000 -5.112) 5.252 5.072 ( -2.242 0.000 -2.702) 3.511 5.116 ( 0.442 -0.000 7.272) 7.285 5.408 ( -2.013 0.000 -6.995) 7.279 5.438 ( 2.316 -0.000 -0.555) 2.382 5.933 ( 1.174 -0.000 -2.686) 2.931 5.971 ( 0.851 -0.000 4.399) 4.480 6.280 ( 0.964 -0.000 -0.906) 1.323 6.615 ( 2.899 -0.000 3.266) 4.367 6.904 ( 8.142 -0.000 -1.230) 8.234 7.099 ( -0.399 0.000 0.746) 0.846 7.605 ( -2.216 0.000 -4.843) 5.326 7.900 ( 1.469 -0.000 -9.571) 9.683 8.777 ( -2.808 0.000 10.383) 10.756 8.935 ( -2.934 0.000 -1.620) 3.352 9.006 ( -4.544 0.000 -0.350) 4.558 9.116 ( 1.221 -0.000 6.963) 7.069 9.614 ( -2.690 0.000 -2.704) 3.814 9.700 ( 5.232 -0.000 4.097) 6.645 10.471 ( 9.568 -0.000 0.238) 9.571 10.578 ( -4.136 0.000 -3.887) 5.676 10.791 ( 1.695 -0.000 -11.825) 11.946 11.234 ( -3.247 0.000 7.235) 7.930 11.589 ( 0.031 -0.000 16.975) 16.975 11.641 ( -0.711 0.000 -2.431) 2.533 11.713 ( -1.173 0.000 -0.946) 1.506 11.947 ( 0.794 -0.000 -1.675) 1.854 12.608 ( 3.902 -0.000 -0.320) 3.915 12.849 ( 5.665 -0.000 -7.669) 9.535 13.264 ( 5.830 -0.000 5.474) 7.997 13.465 ( 0.402 -0.000 -0.442) 0.597 13.872 ( -3.865 0.000 0.989) 3.990 14.750 ( -24.867 0.000 -5.700) 25.512 15.729 ( 3.423 -0.000 2.620) 4.310 16.210 ( 3.041 -0.000 -0.589) 3.098 ======================= Grid point 117 (51/160) ======================= q-point: (-0.56 0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -8.395 2.600 13.773) 16.338 1.630 ( -12.773 9.154 1.029) 15.748 1.792 ( 0.796 -1.101 -4.175) 4.391 1.914 ( -1.169 -3.062 0.397) 3.302 2.223 ( -8.074 1.343 11.213) 13.883 2.617 ( -4.450 -1.786 4.636) 6.670 2.710 ( -0.009 0.785 6.658) 6.704 2.775 ( -2.571 -3.762 4.280) 6.252 3.001 ( -0.560 1.704 7.247) 7.466 3.235 ( -6.957 5.120 -3.474) 9.311 3.294 ( -8.097 -0.467 -3.191) 8.716 3.488 ( 3.557 5.356 -0.931) 6.496 3.611 ( 5.516 -6.534 -0.226) 8.554 3.671 ( -1.303 3.011 -1.060) 3.448 3.776 ( -2.676 -2.638 -1.808) 4.170 3.837 ( 2.513 -3.627 3.133) 5.412 3.958 ( -1.506 0.738 3.192) 3.605 4.352 ( 7.409 -6.746 0.376) 10.027 4.636 ( 5.099 0.715 1.622) 5.398 4.942 ( -2.925 0.528 -6.313) 6.978 5.030 ( -1.526 1.261 -2.596) 3.265 5.140 ( 1.894 -0.622 6.789) 7.076 5.330 ( -3.023 4.425 -3.878) 6.615 5.520 ( 3.389 -4.255 -0.209) 5.444 5.956 ( 1.270 -0.003 -0.505) 1.367 5.970 ( -0.142 1.164 3.815) 3.991 6.287 ( -0.439 -0.361 -0.267) 0.628 6.677 ( 4.122 0.347 3.439) 5.379 7.045 ( 8.086 0.117 -1.480) 8.221 7.096 ( 0.251 0.149 0.157) 0.332 7.575 ( -1.513 -0.755 -4.998) 5.276 7.939 ( 2.075 -1.785 -7.976) 8.433 8.701 ( -4.781 2.570 7.983) 9.654 8.898 ( -1.561 -1.746 0.238) 2.354 8.945 ( -4.677 -2.944 0.408) 5.541 9.146 ( 2.429 1.300 5.156) 5.846 9.561 ( -3.552 -0.361 -2.647) 4.444 9.788 ( 4.593 -0.213 3.082) 5.535 10.524 ( -1.806 -0.461 -2.517) 3.132 10.632 ( 9.501 1.885 -2.883) 10.106 10.835 ( 4.147 0.183 -9.676) 10.529 11.170 ( -4.421 -0.585 6.622) 7.984 11.570 ( -0.819 3.234 12.347) 12.790 11.640 ( 0.322 -0.107 2.441) 2.465 11.686 ( -2.001 -0.347 -0.705) 2.150 11.969 ( 1.165 -2.281 -1.605) 3.023 12.701 ( 7.601 0.856 0.698) 7.680 12.898 ( 1.479 0.767 -6.137) 6.359 13.267 ( -4.433 1.438 4.713) 6.628 13.474 ( -0.503 -0.354 0.162) 0.636 13.879 ( 5.414 4.532 -2.552) 7.508 14.314 ( -28.087 -6.681 -4.509) 29.221 15.779 ( 2.605 0.437 3.075) 4.054 16.262 ( 2.979 0.119 -0.790) 3.085 ======================= Grid point 118 (52/160) ======================= q-point: (-0.44 0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -9.586 5.124 12.706) 16.721 1.372 ( -4.491 12.211 3.842) 13.566 1.767 ( -3.170 -1.190 -0.847) 3.490 1.915 ( 0.020 5.469 3.787) 6.652 2.076 ( -5.831 2.199 10.425) 12.146 2.494 ( -10.945 -1.351 -3.580) 11.595 2.685 ( -0.323 0.859 5.956) 6.026 2.821 ( -2.102 -1.483 1.239) 2.855 3.002 ( 3.213 0.396 7.747) 8.396 3.094 ( -2.419 3.550 -0.373) 4.312 3.177 ( -3.624 2.193 2.999) 5.190 3.484 ( 1.425 3.410 -0.419) 3.720 3.621 ( -0.506 2.715 0.536) 2.813 3.742 ( -1.648 -5.306 -3.375) 6.501 3.763 ( 0.465 -7.177 -3.167) 7.859 3.933 ( 3.066 -5.027 7.104) 9.227 4.033 ( 5.644 -5.715 1.059) 8.102 4.508 ( 4.272 -3.867 -2.898) 6.450 4.701 ( 3.433 1.609 0.640) 3.845 4.865 ( -5.044 -0.735 -5.511) 7.507 5.002 ( 0.461 2.194 -4.130) 4.699 5.159 ( -0.921 3.268 -2.101) 3.993 5.254 ( -1.307 -0.593 4.935) 5.140 5.624 ( 4.009 -3.986 2.997) 6.398 5.935 ( -0.913 2.834 4.002) 4.988 5.989 ( 1.138 -1.468 2.380) 3.019 6.274 ( -1.687 -0.889 0.752) 2.049 6.737 ( 3.192 0.758 3.017) 4.456 7.095 ( 0.151 -0.234 -0.403) 0.490 7.172 ( 6.281 0.127 -1.486) 6.456 7.569 ( -0.376 -1.646 -5.230) 5.496 7.991 ( 0.859 -3.470 -6.981) 7.843 8.591 ( -4.083 3.758 5.615) 7.895 8.898 ( -4.356 -3.475 0.142) 5.574 8.913 ( 0.088 -3.083 2.877) 4.218 9.170 ( 2.089 1.855 4.212) 5.054 9.505 ( -3.145 -0.059 -2.551) 4.050 9.848 ( 2.037 -0.142 0.939) 2.248 10.527 ( 0.697 -1.570 -0.828) 1.907 10.731 ( 5.540 3.635 -7.694) 10.153 10.916 ( 5.800 2.553 -5.653) 8.492 11.114 ( -3.110 -1.782 5.386) 6.469 11.499 ( -3.788 3.772 7.703) 9.376 11.644 ( 0.410 1.013 3.200) 3.381 11.673 ( 0.831 0.098 4.411) 4.489 12.043 ( 2.519 -6.737 -1.822) 7.420 12.853 ( 12.059 2.343 0.977) 12.323 12.898 ( 0.594 1.346 -2.834) 3.193 13.162 ( -5.762 -0.505 2.268) 6.213 13.435 ( -4.383 2.524 2.441) 5.616 13.727 ( -16.821 4.421 -4.580) 17.985 14.125 ( -2.772 -6.872 -5.748) 9.378 15.807 ( 1.328 0.713 3.312) 3.638 16.302 ( 1.834 0.216 -1.100) 2.150 ======================= Grid point 119 (53/160) ======================= q-point: (-0.33 0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 3.951 7.385 14.888) 17.082 1.240 ( 4.410 15.451 4.092) 16.581 1.732 ( 0.886 4.234 0.077) 4.326 1.822 ( -6.347 4.113 14.332) 16.205 1.978 ( 2.418 8.750 5.765) 10.754 2.336 ( -7.047 -0.200 -8.538) 11.073 2.626 ( -4.294 0.953 1.262) 4.576 2.810 ( -1.811 -3.874 -2.469) 4.938 3.034 ( 0.883 3.305 9.545) 10.139 3.072 ( 2.149 2.328 0.103) 3.170 3.149 ( 3.398 3.371 7.003) 8.483 3.493 ( 0.701 -0.302 1.710) 1.872 3.615 ( 2.865 0.395 3.061) 4.212 3.770 ( -2.885 -7.426 -6.810) 10.481 3.829 ( -1.663 -9.590 -3.130) 10.224 4.027 ( 1.322 -6.061 4.574) 7.707 4.196 ( 5.201 -5.880 4.295) 8.949 4.546 ( -2.394 -1.399 -6.755) 7.302 4.703 ( -1.209 2.400 0.806) 2.805 4.822 ( -0.948 -1.758 -2.710) 3.366 5.015 ( 4.242 3.665 -7.003) 8.970 5.065 ( -2.819 4.710 -4.523) 7.112 5.281 ( -0.166 -3.795 6.082) 7.171 5.720 ( 2.738 -2.854 4.014) 5.635 5.891 ( -0.742 3.146 3.512) 4.773 6.030 ( 0.543 -3.872 8.854) 9.679 6.251 ( -2.190 -1.280 0.669) 2.623 6.762 ( 0.599 0.953 2.852) 3.066 7.100 ( 0.317 -0.103 -0.327) 0.467 7.242 ( 0.705 -1.057 -0.897) 1.555 7.589 ( 0.584 -2.072 -5.327) 5.745 8.027 ( -1.423 -5.292 -6.788) 8.724 8.513 ( -0.224 3.651 4.659) 5.923 8.875 ( -1.670 -2.854 -0.008) 3.307 8.951 ( 0.657 -2.934 4.252) 5.208 9.187 ( 1.879 1.302 4.083) 4.679 9.467 ( -0.528 0.441 -2.496) 2.589 9.854 ( -1.605 -0.014 -0.990) 1.886 10.553 ( -0.016 -1.299 -0.651) 1.453 10.757 ( 2.909 6.125 -8.563) 10.923 10.940 ( 0.253 2.063 -3.667) 4.215 11.102 ( -1.661 -2.364 4.332) 5.207 11.395 ( -4.360 1.774 6.178) 7.767 11.638 ( 0.655 2.219 3.654) 4.325 11.708 ( 2.995 0.378 6.682) 7.332 12.160 ( -0.036 -10.344 -2.157) 10.566 12.904 ( 3.421 2.134 0.877) 4.126 13.036 ( 1.628 2.816 -0.726) 3.333 13.093 ( -3.613 -0.374 -1.159) 3.812 13.231 ( -3.481 2.673 5.062) 6.700 13.564 ( 1.864 1.614 -4.736) 5.340 14.135 ( -1.410 -0.687 -7.777) 7.933 15.810 ( -0.209 0.945 3.391) 3.526 16.315 ( 0.000 0.278 -1.322) 1.351 ======================= Grid point 120 (54/160) ======================= q-point: (-0.22 0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 13.962 9.898 14.845) 22.655 1.221 ( 10.982 16.363 6.139) 20.640 1.631 ( -1.425 13.009 10.138) 16.555 1.729 ( 5.923 8.394 5.936) 11.865 2.066 ( 8.315 -4.817 5.275) 10.962 2.288 ( 2.437 0.631 -9.148) 9.488 2.568 ( -2.272 -1.231 -2.452) 3.562 2.792 ( -5.210 -3.896 -3.879) 7.574 2.991 ( -0.675 4.724 7.477) 8.870 3.104 ( 4.197 2.730 0.981) 5.102 3.204 ( 5.900 3.751 6.183) 9.333 3.497 ( -0.864 -2.274 3.296) 4.097 3.715 ( 5.853 -2.763 6.724) 9.333 3.755 ( -6.722 -7.321 -5.240) 11.236 3.898 ( -0.762 -6.603 -4.133) 7.827 4.087 ( -0.517 -4.787 3.377) 5.881 4.285 ( -1.343 -5.828 3.872) 7.125 4.513 ( -2.125 -1.790 -3.282) 4.300 4.626 ( -4.554 1.495 -1.060) 4.909 4.827 ( -0.657 0.649 -3.622) 3.738 4.973 ( 0.007 4.689 -5.888) 7.527 5.096 ( 6.456 2.056 -5.543) 8.754 5.309 ( -0.776 -3.741 3.138) 4.944 5.760 ( -0.558 -1.289 2.442) 2.817 5.858 ( 0.136 2.313 2.956) 3.755 6.071 ( -2.646 -6.251 15.914) 17.302 6.229 ( -1.516 -0.999 -1.881) 2.614 6.738 ( -2.347 1.043 3.200) 4.103 7.107 ( 0.343 -0.165 -0.082) 0.389 7.187 ( -7.703 0.716 0.642) 7.763 7.623 ( 1.031 -2.085 -5.160) 5.660 8.047 ( -3.040 -7.088 -7.602) 10.829 8.537 ( 5.092 -0.227 4.754) 6.970 8.884 ( 0.383 0.484 -0.155) 0.637 8.992 ( 0.965 -2.942 5.268) 6.111 9.231 ( 4.258 -0.969 4.619) 6.356 9.488 ( 3.132 -0.072 -2.544) 4.036 9.791 ( -5.239 0.852 -1.888) 5.633 10.530 ( -2.514 3.081 -0.483) 4.005 10.676 ( -3.598 7.399 -6.668) 10.590 10.936 ( -0.521 -3.412 -4.684) 5.819 11.093 ( -1.942 -2.235 3.198) 4.359 11.343 ( -1.268 -0.528 6.013) 6.168 11.627 ( 1.031 3.015 4.321) 5.369 11.754 ( 2.696 0.775 6.785) 7.342 12.175 ( -8.785 -6.324 -0.072) 10.825 12.771 ( -12.614 3.614 -0.571) 13.134 12.961 ( 3.156 3.970 1.062) 5.182 13.080 ( -0.305 -0.535 -1.800) 1.902 13.371 ( 10.010 1.457 3.495) 10.702 13.684 ( 9.455 3.915 -2.366) 10.504 14.189 ( 12.082 -5.461 -12.359) 18.126 15.784 ( -1.592 1.168 3.369) 3.905 16.295 ( -1.916 0.357 -1.308) 2.347 ======================= Grid point 121 (55/160) ======================= q-point: (-0.11 0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 7.410 16.590 5.601) 19.013 1.243 ( 10.054 13.137 17.710) 24.234 1.705 ( 19.203 5.400 6.730) 21.053 1.768 ( 8.384 9.419 5.601) 13.797 2.273 ( 8.481 -5.796 -1.899) 10.446 2.426 ( 11.362 -4.768 -2.623) 12.598 2.583 ( 1.227 -4.079 -4.854) 6.458 2.703 ( -7.793 -1.523 -3.736) 8.775 2.942 ( -0.217 3.672 5.333) 6.479 3.147 ( 3.647 3.479 5.741) 7.640 3.252 ( 3.712 3.163 1.095) 4.998 3.517 ( -1.415 -3.992 2.681) 5.013 3.693 ( -7.775 -7.050 -2.694) 10.836 3.830 ( 3.465 0.505 9.276) 9.915 3.905 ( -0.649 -1.170 0.850) 1.585 4.124 ( -0.416 -4.933 0.419) 4.968 4.290 ( -4.419 -4.821 2.843) 7.132 4.461 ( -4.011 1.369 -0.007) 4.238 4.591 ( 0.027 -3.085 -4.014) 5.062 4.766 ( -3.668 3.401 -4.614) 6.805 4.965 ( 2.043 1.228 -5.989) 6.446 5.182 ( 5.209 1.436 -3.472) 6.422 5.333 ( -0.387 -3.147 0.064) 3.171 5.725 ( -4.993 -0.830 4.027) 6.468 5.853 ( 1.043 1.063 2.612) 3.007 6.044 ( -6.771 -4.591 14.931) 17.025 6.225 ( -0.104 -0.842 -3.945) 4.036 6.674 ( -3.561 1.060 3.412) 5.045 7.002 ( -9.557 4.214 0.992) 10.492 7.114 ( 0.128 -0.314 0.385) 0.513 7.655 ( 0.464 -1.846 -5.121) 5.463 8.050 ( -4.073 -5.965 -9.586) 12.002 8.657 ( 3.459 -5.678 6.112) 9.031 8.879 ( 2.542 3.155 1.562) 4.342 9.040 ( 0.696 -3.046 4.843) 5.763 9.345 ( 5.358 -2.617 4.549) 7.500 9.556 ( 3.730 -0.755 -2.424) 4.512 9.673 ( -5.599 3.342 -1.500) 6.690 10.399 ( -3.851 7.705 0.860) 8.657 10.589 ( -1.967 0.036 -6.490) 6.782 10.956 ( -1.762 -2.191 -6.352) 6.946 11.086 ( -0.244 -1.122 0.070) 1.151 11.363 ( 1.300 -3.289 7.147) 7.974 11.619 ( 1.520 3.177 4.668) 5.848 11.785 ( 2.113 1.472 6.431) 6.928 12.020 ( -9.033 3.010 2.611) 9.873 12.610 ( -4.773 1.299 -1.297) 5.114 12.886 ( -4.964 6.333 -2.225) 8.348 13.095 ( 0.934 -0.111 0.499) 1.065 13.501 ( 3.728 -0.291 1.290) 3.955 13.718 ( 6.170 4.577 2.573) 8.102 14.659 ( 24.786 -13.641 -16.417) 32.710 15.737 ( -2.557 1.269 3.245) 4.322 16.248 ( -3.011 0.366 -1.131) 3.237 ======================= Grid point 126 (56/160) ======================= q-point: (-0.56 0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -9.594 0.000 12.514) 15.769 1.500 ( -5.157 0.000 3.086) 6.010 1.745 ( -3.320 0.000 1.308) 3.568 2.004 ( 8.199 -0.000 -4.065) 9.151 2.063 ( -9.801 0.000 13.954) 17.052 2.477 ( -9.777 0.000 -2.655) 10.131 2.697 ( -0.576 0.000 4.697) 4.732 2.795 ( -0.614 0.000 5.576) 5.609 3.011 ( 2.352 -0.000 6.367) 6.787 3.145 ( -3.584 0.000 -2.750) 4.517 3.198 ( -3.041 0.000 5.756) 6.510 3.569 ( 1.645 -0.000 0.340) 1.680 3.610 ( -0.229 0.000 -6.227) 6.232 3.630 ( -3.331 0.000 -2.953) 4.452 3.763 ( 0.616 -0.000 -2.132) 2.219 3.845 ( -1.804 0.000 7.507) 7.720 3.982 ( 7.063 -0.000 5.706) 9.080 4.464 ( 7.318 -0.000 -3.655) 8.180 4.718 ( 3.621 -0.000 0.190) 3.626 4.857 ( -6.258 0.000 -5.548) 8.363 5.027 ( 0.784 -0.000 -3.938) 4.015 5.174 ( 1.953 -0.000 6.899) 7.170 5.273 ( -5.431 0.000 -3.270) 6.340 5.575 ( 4.998 -0.000 3.165) 5.916 5.966 ( -1.029 0.000 4.180) 4.304 5.975 ( 0.918 -0.000 0.176) 0.935 6.264 ( -1.821 0.000 0.501) 1.889 6.744 ( 3.183 -0.000 3.294) 4.581 7.091 ( 0.292 -0.000 -0.595) 0.663 7.174 ( 5.570 -0.000 -1.548) 5.781 7.553 ( -0.414 0.000 -5.086) 5.103 7.957 ( 0.902 -0.000 -7.619) 7.672 8.637 ( -4.338 0.000 6.689) 7.972 8.845 ( -1.908 0.000 -1.098) 2.201 8.891 ( -1.295 0.000 2.730) 3.021 9.190 ( 1.674 -0.000 4.936) 5.213 9.504 ( -2.743 0.000 -2.802) 3.921 9.847 ( 2.051 -0.000 0.969) 2.269 10.509 ( 0.446 -0.000 -0.628) 0.770 10.761 ( 4.357 -0.000 -8.757) 9.781 10.954 ( 8.727 -0.000 -5.293) 10.207 11.095 ( -3.859 0.000 5.333) 6.583 11.549 ( -4.598 0.000 8.968) 10.078 11.650 ( 1.056 -0.000 -0.362) 1.116 11.673 ( 1.175 -0.000 7.214) 7.309 11.965 ( 0.265 -0.000 -2.680) 2.694 12.876 ( 12.674 -0.000 1.158) 12.727 12.911 ( 0.291 -0.000 -2.942) 2.957 13.158 ( -6.565 0.000 2.473) 7.015 13.460 ( -3.356 0.000 2.140) 3.981 13.780 ( -26.157 0.000 -4.663) 26.570 14.050 ( 7.684 -0.000 -4.796) 9.058 15.815 ( 1.298 -0.000 3.188) 3.442 16.304 ( 1.814 -0.000 -1.015) 2.079 ======================= Grid point 128 (57/160) ======================= q-point: (-0.44 0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.291 2.442 14.531) 15.098 1.463 ( 4.007 6.468 2.075) 7.887 1.728 ( 1.146 -1.194 2.307) 2.839 1.911 ( -5.373 3.590 15.296) 16.605 2.114 ( 4.126 3.164 -1.032) 5.301 2.328 ( -6.384 -0.440 -8.304) 10.483 2.656 ( -5.457 2.503 1.721) 6.246 2.725 ( -5.041 -4.291 -0.358) 6.630 3.069 ( 1.464 0.807 10.998) 11.125 3.152 ( 6.093 3.711 2.489) 7.556 3.198 ( 3.806 1.194 8.727) 9.596 3.525 ( -0.759 3.942 -3.689) 5.452 3.612 ( -0.610 -2.605 -3.562) 4.455 3.648 ( -2.529 -7.891 -4.204) 9.292 3.720 ( -0.608 4.521 1.191) 4.714 3.871 ( -0.891 -9.104 2.620) 9.516 4.131 ( 7.598 -1.329 9.372) 12.138 4.520 ( -2.544 -0.914 -8.533) 8.951 4.737 ( -1.198 0.964 0.185) 1.548 4.792 ( -0.211 -0.971 -2.494) 2.684 5.064 ( 4.782 1.615 -6.008) 7.847 5.155 ( -3.907 3.670 -2.090) 5.753 5.215 ( -0.752 -2.846 5.022) 5.821 5.666 ( 3.972 -1.903 6.022) 7.461 5.939 ( -1.191 1.480 3.638) 4.104 5.988 ( -0.018 -0.919 2.293) 2.470 6.233 ( -1.989 -0.543 0.011) 2.062 6.776 ( 0.573 0.389 3.370) 3.441 7.097 ( 0.238 -0.174 -0.491) 0.572 7.230 ( 0.629 -0.282 -1.528) 1.676 7.559 ( 0.755 -0.856 -5.113) 5.239 7.959 ( -1.567 -1.740 -8.149) 8.479 8.572 ( -1.892 1.904 4.914) 5.599 8.838 ( 0.419 -0.864 -0.215) 0.984 8.897 ( 0.719 -2.058 3.429) 4.063 9.208 ( 0.934 0.641 5.176) 5.299 9.474 ( -0.433 0.204 -3.008) 3.046 9.853 ( -1.430 -0.075 -0.635) 1.567 10.525 ( 0.422 -0.982 0.153) 1.079 10.809 ( 2.491 0.540 -10.225) 10.538 11.024 ( 0.537 4.137 -1.374) 4.392 11.070 ( -0.461 -1.247 1.907) 2.325 11.433 ( -6.910 1.671 6.060) 9.342 11.669 ( 1.357 0.803 1.409) 2.115 11.719 ( 3.787 0.748 9.261) 10.034 11.991 ( -0.583 -5.887 -3.031) 6.647 12.934 ( 3.794 0.848 0.945) 4.001 13.074 ( 0.381 1.065 -0.710) 1.335 13.084 ( -2.662 -0.360 -0.469) 2.727 13.269 ( -4.055 1.090 4.070) 5.848 13.586 ( 1.723 0.610 -4.716) 5.058 14.122 ( 0.061 -0.450 -5.715) 5.733 15.823 ( -0.161 0.380 3.175) 3.202 16.319 ( -0.015 0.096 -1.153) 1.157 ======================= Grid point 129 (58/160) ======================= q-point: (-0.33 0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 15.044 4.338 16.144) 22.489 1.499 ( 9.825 11.448 3.498) 15.486 1.793 ( 2.263 2.670 4.538) 5.731 1.829 ( 3.536 3.626 10.333) 11.508 2.077 ( -0.237 4.231 0.494) 4.267 2.307 ( 3.505 1.099 -8.059) 8.856 2.542 ( -5.529 -0.999 -3.678) 6.715 2.696 ( -4.909 -5.506 1.164) 7.468 3.052 ( -1.811 1.624 11.801) 12.049 3.212 ( 6.874 7.564 -0.155) 10.221 3.279 ( 6.874 3.276 8.401) 11.339 3.484 ( -2.016 0.780 -2.479) 3.289 3.620 ( -4.410 -5.374 -4.302) 8.176 3.672 ( 4.143 -1.892 1.936) 4.949 3.759 ( 2.551 -6.014 -1.337) 6.668 3.952 ( -0.537 -8.922 2.718) 9.342 4.222 ( 0.711 -0.754 8.405) 8.468 4.454 ( -4.677 -3.649 -4.966) 7.737 4.658 ( -6.177 1.557 -0.474) 6.387 4.826 ( 1.229 -0.386 -3.800) 4.013 5.060 ( -2.193 3.816 -3.266) 5.480 5.142 ( 5.948 2.461 -4.510) 7.859 5.240 ( 0.222 -3.373 1.817) 3.838 5.728 ( 0.669 -1.626 6.251) 6.494 5.904 ( -0.804 2.037 3.113) 3.806 5.993 ( -1.460 -2.337 5.343) 6.012 6.212 ( -1.057 -0.687 -1.855) 2.243 6.756 ( -2.220 0.770 3.774) 4.446 7.102 ( 0.075 -0.335 -0.144) 0.372 7.192 ( -5.239 0.065 -0.475) 5.261 7.589 ( 1.422 -1.353 -4.982) 5.355 7.942 ( -2.878 -3.694 -9.245) 10.364 8.552 ( 1.421 1.166 4.144) 4.534 8.878 ( 3.321 -0.424 -0.075) 3.349 8.942 ( 1.361 -2.528 4.143) 5.041 9.222 ( 1.624 0.070 6.227) 6.435 9.488 ( 2.368 0.049 -3.238) 4.011 9.799 ( -4.725 0.134 -1.206) 4.879 10.536 ( 0.013 -0.756 -1.213) 1.429 10.830 ( 0.165 3.894 -8.495) 9.347 10.911 ( -7.713 3.046 -2.822) 8.759 11.059 ( -0.774 -1.308 3.409) 3.733 11.340 ( -2.846 0.061 5.982) 6.624 11.679 ( 1.505 2.186 3.111) 4.089 11.773 ( 3.320 1.276 6.959) 7.815 12.034 ( -2.892 -7.386 -1.590) 8.089 12.830 ( -13.467 2.249 -0.511) 13.663 13.020 ( 5.388 1.966 0.625) 5.769 13.068 ( 0.573 -0.412 -0.220) 0.740 13.402 ( 6.852 1.386 1.998) 7.271 13.753 ( 17.206 2.948 -3.794) 17.864 14.098 ( -0.099 -3.734 -6.644) 7.622 15.804 ( -1.462 0.777 3.149) 3.558 16.301 ( -1.907 0.192 -1.124) 2.222 ======================= Grid point 130 (59/160) ======================= q-point: (-0.22 0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 12.647 8.792 14.004) 20.818 1.511 ( 3.911 14.958 13.661) 20.632 1.810 ( 12.431 5.803 -1.699) 13.824 1.922 ( 7.214 5.440 3.958) 9.864 2.151 ( 8.312 -5.245 4.867) 10.968 2.395 ( 6.880 -0.177 -7.028) 9.837 2.504 ( -1.091 -4.138 -5.732) 7.154 2.656 ( -4.754 -3.426 0.527) 5.883 2.995 ( -2.697 1.660 10.620) 11.082 3.254 ( 6.393 7.080 -0.159) 9.540 3.312 ( 0.061 2.923 2.484) 3.836 3.473 ( 1.301 0.093 0.444) 1.378 3.582 ( -5.170 -3.873 -2.569) 6.952 3.812 ( 8.388 -2.254 5.674) 10.375 3.861 ( 2.706 -3.772 -0.530) 4.672 4.007 ( -2.155 -6.706 2.734) 7.556 4.200 ( -3.624 -3.280 5.460) 7.328 4.453 ( -1.684 -4.802 -0.197) 5.093 4.527 ( -7.046 -0.551 -1.778) 7.288 4.808 ( -2.674 1.226 -4.346) 5.248 5.012 ( 0.231 2.975 -4.699) 5.566 5.191 ( 0.983 -0.513 1.153) 1.600 5.300 ( 4.409 -0.205 -4.899) 6.594 5.714 ( -3.635 -0.306 6.253) 7.239 5.879 ( -0.109 1.467 2.941) 3.288 5.978 ( -3.264 -2.541 5.109) 6.574 6.209 ( -0.178 -0.711 -3.334) 3.413 6.696 ( -3.515 1.104 4.043) 5.470 7.059 ( -8.338 1.833 0.155) 8.539 7.107 ( -0.214 -0.367 0.829) 0.931 7.625 ( 1.217 -1.252 -5.114) 5.404 7.940 ( -2.003 -5.015 -10.187) 11.529 8.595 ( 2.887 -1.320 4.136) 5.214 8.933 ( 3.005 1.910 0.742) 3.637 8.985 ( 1.236 -2.381 4.685) 5.399 9.287 ( 4.261 -2.848 7.350) 8.960 9.542 ( 3.204 -0.638 -3.464) 4.762 9.705 ( -5.148 0.575 -0.883) 5.255 10.525 ( -1.575 3.706 -1.812) 4.416 10.632 ( -8.089 4.933 -1.890) 9.661 10.900 ( 0.549 -2.816 -8.748) 9.207 11.066 ( 0.057 -0.897 1.099) 1.420 11.322 ( -0.295 -1.205 6.663) 6.778 11.680 ( 1.562 3.040 4.286) 5.482 11.809 ( 2.364 1.209 5.384) 6.003 12.018 ( -4.651 -2.685 0.509) 5.395 12.646 ( -6.117 2.043 -1.058) 6.536 12.996 ( -3.927 4.066 -5.181) 7.668 13.106 ( 1.918 1.790 3.961) 4.751 13.485 ( 3.497 -1.321 1.060) 3.886 13.821 ( 1.751 5.708 0.730) 6.015 14.426 ( 24.547 -10.263 -9.953) 28.406 15.762 ( -2.354 1.177 3.125) 4.085 16.255 ( -3.082 0.270 -0.996) 3.250 ======================= Grid point 131 (60/160) ======================= q-point: (-0.11 0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 3.046 14.177 6.313) 15.815 1.520 ( 8.334 9.500 16.168) 20.521 1.940 ( 2.726 5.225 7.836) 9.805 2.052 ( 15.173 1.199 -3.118) 15.537 2.383 ( 9.751 -5.951 7.330) 13.573 2.482 ( -3.749 -1.913 -9.903) 10.761 2.559 ( 6.037 -5.386 -2.049) 8.346 2.693 ( 9.303 -0.745 -3.312) 9.903 2.955 ( -0.630 0.459 9.422) 9.455 3.233 ( -1.144 4.714 4.819) 6.837 3.319 ( 2.470 1.582 -1.851) 3.469 3.456 ( -3.770 -0.425 -0.355) 3.811 3.541 ( -2.041 -1.096 0.154) 2.322 3.857 ( -3.939 3.540 7.233) 8.964 3.949 ( 4.137 -0.237 3.266) 5.276 4.060 ( 1.138 -6.837 -0.216) 6.935 4.175 ( -3.951 -3.910 4.832) 7.365 4.421 ( -1.502 0.491 0.974) 1.856 4.536 ( 0.236 -9.741 -4.113) 10.576 4.723 ( -4.040 3.521 -4.929) 7.281 4.997 ( 0.417 1.359 -6.128) 6.291 5.201 ( -1.554 -3.269 1.964) 4.118 5.356 ( 2.653 3.026 -1.989) 4.489 5.623 ( -5.821 1.005 5.777) 8.262 5.874 ( 0.458 0.322 3.110) 3.160 5.943 ( -2.881 -1.640 0.398) 3.338 6.215 ( 0.111 -0.791 -3.000) 3.104 6.633 ( -2.492 1.081 3.558) 4.476 6.901 ( -6.703 3.017 0.680) 7.382 7.108 ( -0.258 -0.511 0.964) 1.121 7.647 ( 0.385 -0.779 -5.764) 5.829 7.962 ( -0.518 -3.694 -10.824) 11.449 8.654 ( 1.244 -2.730 5.531) 6.293 8.946 ( 1.609 2.195 2.959) 4.020 9.033 ( 1.480 -2.029 3.969) 4.697 9.374 ( 1.344 -2.006 6.025) 6.491 9.576 ( -0.963 -0.811 -1.349) 1.845 9.654 ( 0.971 1.019 -0.316) 1.443 10.415 ( -1.644 4.074 -0.353) 4.407 10.570 ( -0.119 0.817 -5.069) 5.136 10.915 ( -1.377 -0.765 -9.368) 9.500 11.085 ( 1.388 -1.546 -1.370) 2.489 11.355 ( 1.349 -3.286 7.972) 8.728 11.673 ( 0.991 3.183 5.672) 6.579 11.835 ( 1.899 1.017 3.997) 4.540 11.942 ( -4.103 2.255 1.703) 4.982 12.566 ( -1.742 1.190 -1.300) 2.478 12.824 ( -8.977 5.446 -3.677) 11.125 13.111 ( 0.561 0.589 2.369) 2.505 13.505 ( -1.491 -0.418 -0.728) 1.711 13.877 ( 7.621 1.419 4.537) 8.982 14.914 ( 19.571 -9.399 -11.299) 24.475 15.704 ( -3.053 1.598 3.135) 4.659 16.199 ( -2.851 0.225 -0.885) 2.994 ======================= Grid point 137 (61/160) ======================= q-point: ( 0.56 -0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 14.780 -0.000 16.180) 21.914 1.618 ( 10.036 -0.000 1.620) 10.165 1.796 ( 7.338 -0.000 4.019) 8.366 1.882 ( 0.276 -0.000 13.882) 13.884 2.127 ( -3.627 0.000 -2.269) 4.279 2.319 ( 4.116 -0.000 -8.311) 9.274 2.539 ( -8.497 0.000 -7.028) 11.027 2.625 ( -3.955 0.000 6.006) 7.191 3.067 ( -2.059 0.000 11.635) 11.816 3.308 ( 7.389 -0.000 8.482) 11.249 3.315 ( 8.391 -0.000 2.551) 8.770 3.489 ( -5.527 0.000 -7.925) 9.662 3.589 ( 1.117 -0.000 0.356) 1.173 3.612 ( 3.195 -0.000 -4.759) 5.732 3.760 ( -0.351 0.000 5.415) 5.427 3.801 ( 1.465 -0.000 0.135) 1.471 4.223 ( 3.111 -0.000 11.284) 11.705 4.409 ( -7.741 0.000 -6.668) 10.217 4.675 ( -6.339 0.000 -0.584) 6.366 4.821 ( 1.956 -0.000 -3.982) 4.437 5.105 ( -3.256 0.000 -1.962) 3.802 5.181 ( 7.549 -0.000 -7.131) 10.384 5.187 ( -1.034 0.000 4.230) 4.354 5.710 ( 1.651 -0.000 7.357) 7.540 5.926 ( -1.225 0.000 2.900) 3.148 5.971 ( -1.424 0.000 1.675) 2.198 6.205 ( -0.896 0.000 -1.530) 1.773 6.764 ( -2.160 0.000 4.100) 4.634 7.098 ( -0.005 0.000 -0.240) 0.240 7.193 ( -4.568 0.000 -0.833) 4.644 7.575 ( 1.624 -0.000 -4.838) 5.103 7.906 ( -3.008 0.000 -9.880) 10.328 8.566 ( 0.266 -0.000 3.753) 3.763 8.880 ( 4.074 -0.000 0.525) 4.107 8.907 ( 1.718 -0.000 3.635) 4.021 9.225 ( 0.878 -0.000 6.613) 6.671 9.489 ( 1.979 -0.000 -3.400) 3.935 9.800 ( -4.614 0.000 -1.051) 4.732 10.527 ( 0.740 -0.000 -0.289) 0.795 10.842 ( 1.612 -0.000 -10.959) 11.077 10.978 ( -11.165 0.000 -1.230) 11.233 11.043 ( 0.319 -0.000 2.986) 3.003 11.341 ( -3.740 0.000 6.060) 7.121 11.701 ( 1.821 -0.000 2.116) 2.792 11.797 ( 3.883 -0.000 9.279) 10.059 11.942 ( -1.139 0.000 -3.493) 3.674 12.852 ( -13.774 0.000 -0.456) 13.781 13.036 ( 4.123 -0.000 -1.259) 4.311 13.067 ( 3.213 -0.000 2.115) 3.846 13.416 ( 5.529 -0.000 1.328) 5.687 13.785 ( 22.735 -0.000 -4.820) 23.240 14.058 ( -6.674 0.000 -4.312) 7.945 15.812 ( -1.406 0.000 3.064) 3.371 16.303 ( -1.902 0.000 -1.052) 2.174 ======================= Grid point 139 (62/160) ======================= q-point: (-0.33 0.56 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 12.956 1.954 19.448) 23.450 1.757 ( 8.141 8.578 8.984) 14.851 1.915 ( 8.092 4.147 -1.854) 9.280 1.965 ( 7.904 -0.556 4.655) 9.190 2.091 ( 2.682 -1.269 3.280) 4.423 2.390 ( 3.261 -0.260 -8.961) 9.540 2.433 ( -3.432 -2.597 -6.896) 8.129 2.588 ( -1.222 -2.588 5.223) 5.955 3.014 ( -3.777 0.467 11.448) 12.064 3.331 ( -3.998 0.917 -2.501) 4.804 3.396 ( 3.263 3.817 -0.658) 5.064 3.499 ( 7.588 1.181 0.426) 7.691 3.587 ( 0.289 5.404 0.568) 5.442 3.727 ( 6.429 -6.410 0.181) 9.080 3.802 ( 5.871 -1.152 2.657) 6.546 3.870 ( 1.128 -6.249 2.629) 6.873 4.200 ( -4.773 2.816 8.352) 10.024 4.324 ( -5.226 -6.462 0.249) 8.314 4.542 ( -8.003 0.751 -1.137) 8.118 4.822 ( -1.544 0.287 -4.502) 4.768 5.061 ( -0.870 1.696 -3.249) 3.767 5.172 ( -1.423 -0.988 2.382) 2.945 5.308 ( 7.474 0.526 -6.967) 10.231 5.711 ( -1.949 -0.033 7.256) 7.514 5.902 ( -1.042 0.751 2.374) 2.699 5.943 ( -2.414 -1.022 0.298) 2.639 6.199 ( -0.084 -0.275 -2.665) 2.680 6.712 ( -3.469 0.475 4.633) 5.807 7.078 ( -6.289 0.278 -0.626) 6.326 7.103 ( -1.476 0.004 1.117) 1.851 7.608 ( 2.003 -0.421 -4.673) 5.102 7.870 ( -1.713 -1.963 -11.110) 11.412 8.586 ( 1.916 0.010 3.123) 3.664 8.943 ( 3.029 -0.346 2.432) 3.900 8.959 ( 3.290 -0.445 2.504) 4.158 9.252 ( 2.305 -0.707 8.874) 9.195 9.532 ( 2.684 -0.333 -3.707) 4.589 9.709 ( -5.401 0.019 -0.763) 5.454 10.554 ( 2.433 0.364 -1.980) 3.158 10.726 ( -14.368 2.990 0.898) 14.703 10.865 ( 1.076 -0.654 -11.278) 11.348 11.054 ( 0.523 -0.321 1.432) 1.558 11.309 ( -0.933 -0.313 6.512) 6.586 11.727 ( 1.908 1.451 3.390) 4.152 11.839 ( 2.215 1.836 6.746) 7.334 11.947 ( -1.062 -3.563 -1.514) 4.014 12.676 ( -6.916 0.857 -0.848) 7.020 13.031 ( -1.876 0.397 -5.836) 6.143 13.159 ( 3.141 2.309 5.149) 6.459 13.458 ( 0.986 -1.043 0.154) 1.444 13.920 ( -3.540 3.665 -0.570) 5.128 14.273 ( 27.684 -4.963 -6.411) 28.847 15.779 ( -2.183 0.481 3.028) 3.764 16.258 ( -3.120 0.094 -0.909) 3.251 ======================= Grid point 140 (63/160) ======================= q-point: (-0.22 0.56 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 3.029 6.523 24.648) 25.676 1.695 ( 1.832 11.518 0.914) 11.699 1.989 ( -4.329 -0.895 4.694) 6.448 2.082 ( 12.590 2.345 -4.052) 13.432 2.286 ( 12.550 -3.602 10.569) 16.798 2.430 ( -0.576 -3.175 -9.499) 10.032 2.481 ( 6.863 -2.758 -2.980) 7.974 2.676 ( 8.760 -1.367 -1.790) 9.044 2.956 ( -2.056 0.289 9.921) 10.136 3.254 ( -4.612 -1.206 -0.062) 4.768 3.400 ( 2.495 4.049 -1.480) 4.981 3.495 ( -3.511 6.157 -0.491) 7.105 3.598 ( 5.848 5.477 1.355) 8.126 3.882 ( -2.285 -9.003 0.167) 9.290 3.903 ( 1.200 0.872 4.336) 4.583 3.966 ( 10.328 -0.632 4.214) 11.172 4.089 ( -5.660 -3.195 6.274) 9.034 4.319 ( -5.110 -11.218 -0.530) 12.338 4.432 ( -3.338 0.451 0.582) 3.419 4.777 ( -1.900 1.902 -5.202) 5.856 5.034 ( -0.370 1.960 -5.150) 5.523 5.153 ( -2.373 -1.707 1.986) 3.534 5.409 ( 5.510 2.055 -5.404) 7.987 5.648 ( -4.630 1.285 6.814) 8.338 5.882 ( -0.638 0.403 2.545) 2.655 5.913 ( -2.270 -1.345 -2.535) 3.659 6.203 ( 0.144 -0.466 -2.659) 2.703 6.652 ( -2.708 0.816 4.306) 5.152 6.943 ( -7.160 1.371 0.645) 7.319 7.099 ( -0.182 -0.351 1.105) 1.173 7.641 ( 1.582 0.076 -5.204) 5.439 7.890 ( 1.150 -3.323 -11.089) 11.633 8.622 ( 1.548 -0.730 3.456) 3.857 8.986 ( 0.776 0.417 4.300) 4.389 9.004 ( 3.026 0.231 1.899) 3.580 9.325 ( 3.486 -2.555 9.889) 10.792 9.558 ( -1.075 -0.770 -2.939) 3.222 9.655 ( -0.205 -0.511 -0.558) 0.784 10.483 ( -8.392 2.888 1.071) 8.939 10.600 ( 2.353 1.577 -4.120) 4.999 10.887 ( 0.250 -1.562 -11.134) 11.246 11.067 ( 0.601 -0.508 -0.554) 0.963 11.313 ( 0.377 -1.247 7.592) 7.703 11.735 ( 1.382 2.959 5.043) 6.008 11.853 ( 1.222 1.045 4.329) 4.618 11.948 ( -1.993 -1.305 0.351) 2.408 12.590 ( -2.393 1.020 -1.105) 2.826 12.919 ( -9.895 3.727 -6.673) 12.503 13.134 ( -0.738 1.777 4.866) 5.233 13.478 ( -1.057 -2.098 -0.725) 2.458 13.908 ( 4.540 1.546 3.536) 5.958 14.770 ( 24.005 -5.223 -8.093) 25.865 15.731 ( -2.569 1.141 3.015) 4.122 16.203 ( -3.018 0.113 -0.829) 3.132 ======================= Grid point 141 (64/160) ======================= q-point: (-0.11 -0.44 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -2.666 8.278 4.614) 9.844 1.657 ( -2.532 4.886 13.785) 14.842 1.910 ( -5.425 -3.757 9.961) 11.949 2.231 ( 5.320 -0.068 -3.953) 6.628 2.374 ( -1.883 2.153 -1.783) 3.370 2.572 ( 12.278 -2.443 5.208) 13.559 2.668 ( 9.412 -3.141 0.859) 9.960 2.855 ( 9.461 -1.856 -7.978) 12.514 2.961 ( 2.459 0.255 8.832) 9.172 3.205 ( -1.750 -0.227 3.305) 3.747 3.356 ( -5.976 4.535 0.157) 7.503 3.404 ( 0.984 2.086 -0.815) 2.446 3.600 ( 2.095 6.646 2.710) 7.477 3.732 ( -12.958 0.761 5.388) 14.055 3.929 ( -2.006 -3.868 -0.798) 4.430 4.055 ( -1.841 -0.900 1.594) 2.596 4.148 ( 4.482 -1.808 6.551) 8.141 4.417 ( 1.306 -3.996 0.742) 4.269 4.427 ( 3.164 -11.977 -3.512) 12.877 4.727 ( -0.017 4.605 -6.245) 7.759 5.005 ( -0.858 1.449 -6.482) 6.697 5.132 ( -2.448 -2.610 3.525) 5.023 5.414 ( -1.440 5.984 3.374) 7.019 5.580 ( -0.323 0.938 -0.637) 1.179 5.875 ( -0.290 -0.420 2.797) 2.843 5.898 ( -0.791 -1.260 -4.085) 4.347 6.215 ( 0.884 -0.698 -1.842) 2.159 6.612 ( -1.247 0.793 3.345) 3.657 6.833 ( -3.760 1.277 0.731) 4.038 7.101 ( 0.027 -0.251 1.342) 1.365 7.657 ( 0.998 0.755 -5.907) 6.038 7.954 ( 3.022 -2.065 -10.506) 11.125 8.647 ( 0.150 -1.552 5.370) 5.592 8.976 ( 0.142 2.232 3.518) 4.169 9.053 ( 1.856 -0.696 3.363) 3.904 9.376 ( -0.181 0.299 4.980) 4.992 9.545 ( -0.296 -1.715 2.785) 3.284 9.681 ( 1.348 -0.741 -0.634) 1.663 10.396 ( -1.726 -2.130 -0.268) 2.755 10.608 ( 1.705 3.751 -4.737) 6.278 10.885 ( -1.470 -0.035 -11.237) 11.333 11.097 ( 2.034 -2.150 -2.227) 3.704 11.348 ( 1.070 -2.875 8.279) 8.830 11.713 ( -0.476 3.738 7.292) 8.209 11.858 ( -0.480 0.650 0.687) 1.060 11.908 ( -2.023 0.824 2.811) 3.560 12.573 ( 1.434 0.603 -1.394) 2.089 12.696 ( -9.897 2.504 -3.060) 10.657 13.125 ( 0.482 0.489 2.784) 2.867 13.472 ( -1.019 -1.243 -1.278) 2.053 13.973 ( 2.159 0.168 4.563) 5.051 15.143 ( 14.674 -2.844 -9.151) 17.526 15.671 ( -2.748 1.953 3.269) 4.696 16.164 ( -1.269 -0.015 -0.800) 1.500 ======================= Grid point 148 (65/160) ======================= q-point: ( 0.67 -0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.496 -0.000 25.499) 26.085 1.894 ( -2.252 0.000 0.423) 2.292 1.910 ( -7.468 0.000 3.306) 8.167 2.116 ( 10.458 -0.000 -3.741) 11.107 2.248 ( 13.145 -0.000 12.053) 17.834 2.390 ( -0.451 0.000 -8.991) 9.002 2.455 ( 9.000 -0.000 -2.592) 9.366 2.657 ( 8.978 -0.000 -2.062) 9.211 2.963 ( -1.884 0.000 9.815) 9.994 3.240 ( -4.754 0.000 -0.648) 4.798 3.429 ( -0.641 0.000 -3.898) 3.951 3.671 ( 9.246 -0.000 1.234) 9.327 3.671 ( -1.379 0.000 2.809) 3.129 3.690 ( 0.077 -0.000 -0.097) 0.124 3.921 ( 7.872 -0.000 1.729) 8.060 3.931 ( 7.265 -0.000 2.819) 7.792 4.097 ( -10.782 0.000 7.516) 13.143 4.168 ( -6.703 0.000 2.700) 7.227 4.437 ( -4.098 0.000 0.398) 4.118 4.795 ( -1.006 0.000 -5.229) 5.325 5.058 ( -0.587 0.000 -4.660) 4.697 5.134 ( -2.387 0.000 1.115) 2.635 5.429 ( 6.263 -0.000 -6.037) 8.699 5.662 ( -4.035 0.000 7.120) 8.184 5.887 ( -1.093 0.000 1.758) 2.070 5.898 ( -2.081 0.000 -3.111) 3.743 6.198 ( 0.135 -0.000 -2.445) 2.449 6.661 ( -2.796 0.000 4.649) 5.425 6.956 ( -7.255 0.000 0.573) 7.278 7.096 ( -0.118 0.000 1.110) 1.116 7.644 ( 2.286 -0.000 -4.537) 5.080 7.854 ( 1.372 -0.000 -11.680) 11.760 8.617 ( 1.499 -0.000 2.821) 3.195 8.979 ( 2.101 -0.000 3.301) 3.913 9.018 ( 2.666 -0.000 2.241) 3.483 9.297 ( 3.486 -0.000 11.614) 12.126 9.550 ( -1.126 0.000 -3.234) 3.424 9.648 ( -0.804 0.000 -0.905) 1.211 10.514 ( -11.418 0.000 1.431) 11.507 10.616 ( 4.112 -0.000 -2.967) 5.071 10.870 ( 0.199 -0.000 -12.355) 12.357 11.062 ( 0.513 -0.000 -0.184) 0.545 11.301 ( 0.048 -0.000 7.476) 7.476 11.769 ( 1.987 -0.000 4.266) 4.706 11.871 ( 0.122 -0.000 7.821) 7.822 11.921 ( -0.271 0.000 -2.979) 2.991 12.600 ( -2.672 0.000 -0.993) 2.850 12.955 ( -8.983 0.000 -8.025) 12.046 13.160 ( -2.717 0.000 5.954) 6.544 13.450 ( -0.496 0.000 -0.793) 0.935 13.925 ( 2.949 -0.000 3.140) 4.307 14.719 ( 25.858 -0.000 -6.951) 26.776 15.743 ( -2.331 0.000 2.969) 3.774 16.204 ( -3.089 0.000 -0.813) 3.195 ======================= Grid point 150 (66/160) ======================= q-point: (-0.22 -0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -9.751 6.951 6.111) 13.444 1.721 ( -5.912 1.693 13.402) 14.746 1.815 ( -8.268 -5.674 8.585) 13.201 2.254 ( 5.501 2.072 -2.575) 6.417 2.370 ( 2.062 -2.036 -0.687) 2.979 2.538 ( 14.239 -0.864 7.925) 16.319 2.637 ( 9.591 -0.381 -1.452) 9.707 2.823 ( 8.731 -1.111 -8.832) 12.469 2.981 ( 4.730 1.111 9.120) 10.333 3.189 ( -1.526 -0.733 2.957) 3.407 3.391 ( -3.839 0.699 -3.629) 5.329 3.544 ( -2.671 9.088 2.350) 9.759 3.707 ( -10.266 -4.220 2.489) 11.375 3.730 ( -0.035 3.590 4.104) 5.453 3.891 ( -3.329 3.970 1.314) 5.345 4.007 ( -0.301 -2.960 3.046) 4.258 4.129 ( 5.475 -13.224 -1.891) 14.436 4.139 ( 4.086 -0.098 3.824) 5.597 4.409 ( 0.341 -0.329 2.119) 2.171 4.790 ( 1.130 1.751 -6.517) 6.842 5.034 ( -1.373 1.155 -6.217) 6.471 5.098 ( -2.263 -1.045 2.283) 3.380 5.503 ( 2.876 2.672 -3.012) 4.948 5.592 ( -2.896 0.202 4.416) 5.285 5.871 ( -0.802 -0.080 1.841) 2.009 5.878 ( -0.359 -0.587 -4.286) 4.341 6.205 ( 0.750 -0.292 -1.838) 2.007 6.624 ( -1.462 0.356 3.872) 4.154 6.848 ( -4.921 0.317 1.024) 5.036 7.099 ( 0.358 -0.056 1.390) 1.436 7.675 ( 1.796 0.751 -4.976) 5.343 7.913 ( 4.768 -1.546 -10.720) 11.834 8.631 ( -0.088 -0.287 3.746) 3.758 9.010 ( 1.438 0.695 3.638) 3.973 9.051 ( 2.045 0.534 2.316) 3.135 9.371 ( 3.752 -0.510 11.467) 12.076 9.513 ( -2.520 -1.141 -0.732) 2.862 9.663 ( 0.992 -0.728 -1.754) 2.142 10.365 ( -6.055 -0.792 1.156) 6.215 10.672 ( 3.148 2.098 -3.955) 5.473 10.871 ( -0.337 -0.907 -12.533) 12.570 11.073 ( 0.692 -0.508 -1.904) 2.089 11.312 ( 0.511 -0.869 8.174) 8.236 11.784 ( 0.732 3.045 6.200) 6.946 11.861 ( -1.103 -0.624 5.667) 5.807 11.907 ( -2.302 -0.378 -1.869) 2.989 12.583 ( 0.793 0.316 -1.112) 1.402 12.737 ( -12.951 1.308 -4.471) 13.763 13.135 ( -0.107 0.361 3.631) 3.650 13.446 ( -0.584 -0.999 -1.358) 1.784 13.976 ( 1.509 0.113 4.366) 4.621 15.107 ( 18.876 -0.931 -7.884) 20.477 15.702 ( -2.167 0.947 2.904) 3.746 16.163 ( -1.455 -0.030 -0.832) 1.676 ======================= Grid point 151 (67/160) ======================= q-point: (-0.11 -0.33 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -13.288 1.133 4.467) 14.065 1.518 ( -14.639 -0.694 4.521) 15.337 1.779 ( -4.715 -5.135 18.174) 19.466 2.262 ( -3.082 0.757 -3.259) 4.549 2.392 ( 0.515 2.937 -0.514) 3.026 2.739 ( 5.448 -0.880 1.344) 5.680 2.775 ( 7.527 -0.162 6.746) 10.108 2.944 ( 4.611 -1.349 -4.212) 6.389 3.046 ( 0.738 2.234 8.460) 8.781 3.202 ( 0.810 -1.234 2.982) 3.327 3.306 ( -0.304 1.976 -2.114) 2.910 3.403 ( -9.368 5.224 4.224) 11.528 3.507 ( -9.451 -2.409 -0.254) 9.756 3.675 ( 0.154 5.114 2.756) 5.812 3.854 ( -2.452 -1.816 0.274) 3.064 4.042 ( 3.127 0.372 -0.577) 3.202 4.190 ( 2.207 -0.430 2.029) 3.028 4.401 ( 8.329 -11.787 -1.761) 14.540 4.442 ( 2.578 -1.790 2.683) 4.129 4.785 ( 1.548 3.103 -7.124) 7.923 4.996 ( -1.551 0.785 -6.959) 7.173 5.086 ( -0.413 -1.187 4.045) 4.236 5.444 ( -2.016 7.328 3.956) 8.568 5.599 ( 1.417 -0.867 -1.939) 2.553 5.862 ( -0.601 -0.483 1.659) 1.830 5.898 ( 2.104 -0.410 -2.094) 2.996 6.231 ( 1.767 -0.662 -1.666) 2.517 6.605 ( -0.368 0.498 3.192) 3.251 6.797 ( -0.890 -0.638 0.834) 1.377 7.107 ( 0.550 0.189 1.296) 1.421 7.686 ( 0.953 1.479 -5.469) 5.745 8.021 ( 6.499 -0.190 -9.012) 11.113 8.625 ( -1.371 -1.367 5.551) 5.879 9.017 ( 1.697 2.847 3.123) 4.554 9.078 ( 1.263 0.983 3.085) 3.476 9.371 ( -2.444 2.987 1.832) 4.272 9.546 ( 3.230 -3.906 7.073) 8.702 9.677 ( -0.638 -1.413 -0.900) 1.793 10.329 ( -1.885 -4.457 0.004) 4.839 10.673 ( 0.946 4.105 -3.537) 5.501 10.861 ( -1.132 0.290 -12.359) 12.414 11.106 ( 1.792 -2.710 -2.711) 4.232 11.336 ( 0.247 -2.249 7.804) 8.125 11.727 ( -2.801 4.268 8.819) 10.190 11.817 ( -5.171 0.719 -2.397) 5.745 11.889 ( 0.326 -1.966 5.602) 5.946 12.573 ( -4.823 -0.164 -1.587) 5.080 12.620 ( 3.659 -0.255 -1.576) 3.992 13.140 ( 0.763 0.206 2.501) 2.623 13.452 ( 0.167 -1.287 -1.688) 2.129 13.943 ( -5.920 -0.182 3.910) 7.097 15.341 ( 8.485 2.733 -9.821) 13.263 15.656 ( -1.111 1.753 3.716) 4.256 16.160 ( 1.050 -0.186 -0.877) 1.381 ======================= Grid point 159 (68/160) ======================= q-point: (-0.22 -0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -17.605 0.000 7.459) 19.120 1.502 ( -16.067 0.000 -3.419) 16.427 1.723 ( -4.473 0.000 23.435) 23.858 2.273 ( -5.698 0.000 -0.632) 5.733 2.413 ( 4.297 -0.000 -2.067) 4.769 2.742 ( 3.101 -0.000 -2.270) 3.843 2.770 ( 10.905 -0.000 8.773) 13.996 2.927 ( 5.488 -0.000 -5.573) 7.821 3.073 ( 0.316 -0.000 12.425) 12.429 3.184 ( 0.483 -0.000 1.990) 2.047 3.335 ( -0.767 0.000 -4.707) 4.769 3.457 ( -16.103 0.000 3.624) 16.506 3.500 ( -6.969 0.000 2.891) 7.544 3.695 ( -1.111 0.000 1.103) 1.566 3.878 ( -1.692 0.000 1.140) 2.040 4.041 ( 6.280 -0.000 -0.449) 6.296 4.162 ( 6.973 -0.000 -2.066) 7.273 4.265 ( 7.657 -0.000 2.887) 8.183 4.428 ( 1.778 -0.000 3.264) 3.717 4.818 ( 0.584 -0.000 -6.848) 6.873 5.004 ( -2.575 0.000 -7.790) 8.205 5.076 ( 0.459 -0.000 3.747) 3.775 5.546 ( -1.677 0.000 3.455) 3.841 5.563 ( 1.499 -0.000 -2.601) 3.001 5.858 ( -0.608 0.000 1.302) 1.437 5.895 ( 2.751 -0.000 -1.567) 3.166 6.224 ( 1.707 -0.000 -1.805) 2.484 6.610 ( -0.371 0.000 3.424) 3.444 6.789 ( -1.965 0.000 1.095) 2.249 7.109 ( 0.731 -0.000 1.346) 1.531 7.703 ( 1.038 -0.000 -5.062) 5.168 8.016 ( 8.175 -0.000 -8.824) 12.029 8.613 ( -1.969 0.000 4.695) 5.091 9.040 ( 1.344 -0.000 3.638) 3.879 9.101 ( 3.818 -0.000 1.232) 4.012 9.447 ( -4.031 0.000 -1.269) 4.226 9.450 ( 4.729 -0.000 13.086) 13.915 9.662 ( -0.691 0.000 -1.903) 2.025 10.280 ( -3.044 0.000 1.124) 3.245 10.720 ( 0.883 -0.000 -3.408) 3.521 10.859 ( -0.168 0.000 -12.774) 12.776 11.080 ( 0.679 -0.000 -3.219) 3.290 11.314 ( -0.014 0.000 7.961) 7.961 11.804 ( -3.848 0.000 8.382) 9.223 11.804 ( -3.853 0.000 2.134) 4.404 11.857 ( -1.216 0.000 1.312) 1.789 12.571 ( -5.783 0.000 -1.906) 6.089 12.619 ( 3.122 -0.000 -1.140) 3.324 13.142 ( 0.637 -0.000 2.480) 2.560 13.438 ( 0.176 -0.000 -1.747) 1.756 13.941 ( -6.091 0.000 3.952) 7.261 15.366 ( 11.825 -0.000 -9.299) 15.043 15.678 ( -1.243 0.000 2.908) 3.162 16.158 ( 0.985 -0.000 -0.939) 1.360 ======================= Grid point 160 (69/160) ======================= q-point: (-0.11 -0.22 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -18.448 -1.316 8.511) 20.360 1.222 ( -17.626 -2.219 0.343) 17.768 1.638 ( -7.661 -3.197 16.537) 18.503 2.073 ( -18.210 -2.126 6.494) 19.450 2.465 ( 2.715 5.072 -1.782) 6.023 2.721 ( -6.624 -2.329 -5.430) 8.876 2.827 ( -2.694 -0.172 -1.333) 3.010 2.987 ( -3.832 1.968 14.160) 14.800 3.032 ( -3.002 0.621 3.605) 4.733 3.166 ( 2.038 -0.592 7.769) 8.054 3.253 ( -4.285 0.033 -1.307) 4.480 3.327 ( -6.671 -1.769 -7.546) 10.226 3.439 ( 4.312 2.708 4.875) 7.049 3.707 ( 1.135 -2.958 -1.591) 3.546 3.894 ( 5.734 5.789 0.827) 8.190 4.139 ( 5.188 -0.447 0.588) 5.240 4.256 ( 5.095 3.619 -1.535) 6.435 4.436 ( 6.402 -6.751 0.210) 9.306 4.474 ( 3.542 -2.086 2.807) 4.977 4.815 ( 0.370 0.228 -5.687) 5.703 4.955 ( -2.993 -0.713 -7.999) 8.570 5.106 ( 2.616 0.393 2.673) 3.761 5.491 ( -0.678 6.384 1.949) 6.709 5.591 ( -0.344 -2.951 -0.214) 2.979 5.851 ( -0.399 -0.132 0.993) 1.078 5.971 ( 6.695 0.838 5.129) 8.475 6.259 ( 2.033 -0.394 -1.798) 2.743 6.614 ( 1.042 0.418 3.201) 3.392 6.792 ( 1.630 -1.672 0.579) 2.405 7.119 ( 0.468 0.209 0.924) 1.057 7.707 ( 0.084 0.936 -5.402) 5.483 8.164 ( 9.346 1.553 -6.208) 11.327 8.574 ( -3.265 -1.463 5.408) 6.484 9.058 ( 0.937 0.160 3.543) 3.668 9.152 ( 3.600 6.025 1.358) 7.149 9.350 ( -3.698 2.961 -1.195) 4.886 9.568 ( 4.729 -5.832 10.249) 12.704 9.635 ( -2.819 -0.665 -1.177) 3.126 10.266 ( -0.853 -2.905 0.501) 3.069 10.702 ( -1.100 1.806 -2.708) 3.436 10.857 ( 0.702 0.680 -11.018) 11.061 11.103 ( 0.926 -2.450 -3.138) 4.087 11.314 ( -0.893 -1.417 6.474) 6.687 11.683 ( -6.543 1.352 1.463) 6.839 11.733 ( -3.908 1.063 6.993) 8.081 11.883 ( 1.300 -2.422 7.196) 7.703 12.548 ( 2.039 -0.324 -1.091) 2.335 12.682 ( 3.958 -0.612 -1.445) 4.258 13.156 ( 0.964 0.038 2.100) 2.311 13.452 ( 1.067 -0.851 -1.942) 2.374 13.777 ( -13.008 -0.346 2.742) 13.298 15.458 ( 0.135 5.517 -14.325) 15.351 15.674 ( 1.894 0.499 4.570) 4.972 16.192 ( 2.685 -0.143 -1.071) 2.894 ======================= Grid point 169 (70/160) ======================= q-point: (-0.11 -0.11 0.14) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -18.333 0.000 10.698) 21.226 0.906 ( -17.784 0.000 4.918) 18.451 1.459 ( -14.200 0.000 5.493) 15.225 1.680 ( -22.184 0.000 24.762) 33.245 2.476 ( -16.647 0.000 -7.827) 18.395 2.554 ( 1.175 -0.000 -3.538) 3.728 2.735 ( -6.960 0.000 -3.295) 7.701 2.863 ( -9.486 0.000 2.250) 9.749 2.967 ( -1.236 0.000 12.338) 12.400 3.194 ( -3.135 0.000 -3.893) 4.999 3.196 ( -6.390 0.000 -8.667) 10.768 3.335 ( 11.169 -0.000 13.166) 17.266 3.538 ( 4.465 -0.000 6.499) 7.885 3.706 ( 1.728 -0.000 -3.192) 3.630 4.051 ( 7.116 -0.000 -0.298) 7.122 4.178 ( 0.685 -0.000 3.352) 3.422 4.388 ( 5.448 -0.000 -2.997) 6.218 4.503 ( 5.231 -0.000 -1.788) 5.528 4.530 ( 4.650 -0.000 2.002) 5.063 4.824 ( 1.410 -0.000 -3.571) 3.839 4.891 ( -3.491 0.000 -9.320) 9.952 5.147 ( 0.506 -0.000 -2.544) 2.594 5.532 ( -2.820 0.000 2.109) 3.521 5.544 ( 2.103 -0.000 0.950) 2.308 5.845 ( -0.348 0.000 0.678) 0.762 6.147 ( 11.171 -0.000 10.706) 15.473 6.315 ( 8.428 -0.000 8.287) 11.819 6.649 ( 2.510 -0.000 3.101) 3.990 6.823 ( 3.277 -0.000 -0.195) 3.283 7.122 ( -0.287 0.000 0.554) 0.624 7.706 ( -0.573 0.000 -5.629) 5.658 8.342 ( 9.765 -0.000 -3.718) 10.449 8.490 ( -5.653 0.000 4.761) 7.390 9.068 ( 0.250 -0.000 3.474) 3.483 9.236 ( -2.242 0.000 -1.369) 2.627 9.324 ( 1.907 -0.000 -2.376) 3.046 9.576 ( -3.669 0.000 -0.734) 3.741 9.616 ( 5.155 -0.000 10.788) 11.957 10.251 ( 0.457 -0.000 0.641) 0.787 10.682 ( -1.247 0.000 -1.903) 2.275 10.902 ( 4.943 -0.000 -4.892) 6.955 11.096 ( 0.069 -0.000 -3.009) 3.010 11.286 ( -1.455 0.000 4.671) 4.892 11.587 ( -4.322 0.000 -2.225) 4.861 11.703 ( -0.391 0.000 14.372) 14.378 11.888 ( 0.743 -0.000 8.669) 8.701 12.617 ( 5.763 -0.000 -1.006) 5.851 12.738 ( 2.947 -0.000 -1.338) 3.236 13.174 ( 1.162 -0.000 2.015) 2.326 13.470 ( 1.498 -0.000 -2.181) 2.646 13.520 ( -16.347 0.000 1.119) 16.385 15.406 ( -11.393 0.000 -24.903) 27.386 15.721 ( 2.891 -0.000 4.860) 5.655 16.240 ( 2.807 -0.000 -1.269) 3.081 ======================= Grid point 170 (71/160) ======================= q-point: ( 0.00 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -3.030 0.000 18.601) 18.846 0.903 ( 1.018 -0.000 21.524) 21.548 1.245 ( 4.229 -0.000 12.014) 12.736 2.093 ( -7.857 0.000 -11.567) 13.983 2.120 ( -6.630 0.000 19.865) 20.942 2.181 ( 12.494 -0.000 11.812) 17.194 2.313 ( -3.860 0.000 -13.123) 13.679 2.760 ( -0.577 0.000 -7.224) 7.247 2.816 ( -2.443 0.000 -5.625) 6.133 3.252 ( 0.486 -0.000 10.634) 10.645 3.353 ( 1.961 -0.000 17.298) 17.409 3.631 ( 1.168 -0.000 -3.251) 3.455 3.880 ( 1.691 -0.000 15.109) 15.203 3.979 ( 7.542 -0.000 9.290) 11.966 4.160 ( -2.286 0.000 -1.103) 2.538 4.181 ( -2.727 0.000 -0.781) 2.837 4.447 ( 0.806 -0.000 -12.904) 12.929 4.449 ( 1.067 -0.000 -7.989) 8.059 4.519 ( 2.176 -0.000 -0.969) 2.382 4.702 ( -2.699 0.000 1.931) 3.318 4.760 ( -8.881 0.000 -4.582) 9.993 4.850 ( 4.341 -0.000 -6.016) 7.418 5.448 ( -1.202 0.000 -4.073) 4.247 5.543 ( 2.905 -0.000 -9.308) 9.751 5.883 ( 0.072 -0.000 4.482) 4.483 6.155 ( -0.267 0.000 -3.266) 3.277 6.749 ( 0.051 -0.000 2.777) 2.778 6.884 ( 0.401 -0.000 -1.614) 1.663 7.122 ( -0.460 0.000 2.182) 2.230 7.497 ( -3.189 0.000 -4.572) 5.574 7.723 ( 9.384 -0.000 9.951) 13.678 8.371 ( -6.770 0.000 -7.681) 10.239 8.491 ( 4.785 -0.000 7.145) 8.599 9.023 ( 1.286 -0.000 -7.037) 7.154 9.150 ( -0.243 0.000 4.325) 4.332 9.329 ( 0.135 -0.000 -1.046) 1.055 9.532 ( 1.664 -0.000 -0.683) 1.799 9.594 ( -5.707 0.000 -2.920) 6.410 10.345 ( 0.295 -0.000 4.241) 4.251 10.636 ( -0.611 0.000 -3.033) 3.094 11.099 ( 1.388 -0.000 0.819) 1.611 11.158 ( -2.242 0.000 -0.628) 2.328 11.420 ( 3.041 -0.000 1.730) 3.499 11.481 ( 0.457 -0.000 -2.130) 2.178 12.108 ( -1.427 0.000 10.992) 11.084 12.631 ( 14.379 -0.000 -5.635) 15.443 12.811 ( 0.711 -0.000 0.536) 0.890 12.846 ( 13.689 -0.000 0.161) 13.690 13.035 ( -5.251 0.000 -1.532) 5.470 13.219 ( -14.481 0.000 -7.719) 16.409 13.344 ( 7.127 -0.000 4.865) 8.629 13.659 ( -21.408 0.000 -2.704) 21.579 15.890 ( -0.908 0.000 6.801) 6.861 16.246 ( 0.126 -0.000 -3.154) 3.156 ======================= Grid point 171 (72/160) ======================= q-point: ( 0.11 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 3.209 -6.299 14.648) 16.265 1.045 ( 11.786 -4.588 19.129) 22.932 1.421 ( 12.150 -4.280 11.706) 17.406 2.008 ( 0.003 2.628 -2.897) 3.911 2.077 ( 0.246 -2.862 17.055) 17.295 2.295 ( 2.606 -0.143 -11.429) 11.723 2.456 ( 17.106 2.011 -0.743) 17.240 2.723 ( -3.619 -1.156 -5.011) 6.288 2.800 ( 0.140 -0.850 -4.937) 5.012 3.264 ( 1.430 1.131 10.480) 10.637 3.378 ( -0.509 -1.286 16.104) 16.163 3.696 ( 5.414 -0.588 -3.722) 6.597 3.865 ( -1.389 4.829 13.036) 13.971 4.040 ( -2.097 -0.256 4.606) 5.067 4.070 ( -2.449 5.010 2.095) 5.957 4.174 ( -0.965 -3.850 5.061) 6.432 4.407 ( -2.229 1.897 -12.840) 13.170 4.465 ( -2.585 -2.128 -6.865) 7.638 4.540 ( 0.363 3.902 -1.815) 4.319 4.633 ( -5.135 -3.488 -3.243) 7.003 4.697 ( 2.766 -1.032 -2.322) 3.756 4.939 ( 5.208 -0.217 -6.302) 8.178 5.415 ( -1.480 2.055 -3.891) 4.643 5.590 ( 1.365 -1.672 -9.781) 10.016 5.892 ( 0.727 -0.438 5.147) 5.216 6.154 ( 0.048 -0.217 -3.624) 3.631 6.734 ( -1.839 -0.006 3.274) 3.755 6.857 ( -2.998 1.430 0.059) 3.322 7.120 ( 0.300 0.612 1.843) 1.965 7.345 ( -16.963 1.189 10.379) 19.922 7.657 ( -5.720 3.466 2.705) 7.214 8.156 ( -13.868 4.153 -11.271) 18.347 8.686 ( 13.740 0.394 2.252) 13.929 9.022 ( 1.143 7.891 -2.479) 8.350 9.185 ( 2.142 -3.833 2.209) 4.915 9.329 ( 3.083 3.592 1.499) 4.965 9.501 ( -1.600 -1.012 0.549) 1.971 9.574 ( -2.570 -3.608 -1.606) 4.711 10.341 ( -2.727 -3.055 4.422) 6.027 10.601 ( -1.085 3.643 -2.914) 4.789 11.039 ( -8.825 0.924 -0.091) 8.874 11.110 ( -1.824 -0.532 -0.237) 1.915 11.452 ( 1.907 0.247 0.907) 2.126 11.518 ( 1.933 -2.784 -2.043) 3.957 12.058 ( -2.173 3.541 10.932) 11.694 12.389 ( -27.435 0.742 9.204) 28.947 12.675 ( -5.888 2.200 -2.484) 6.759 12.756 ( -5.552 -5.074 -1.981) 7.778 13.057 ( 3.220 -0.296 0.073) 3.235 13.479 ( 1.604 0.556 -1.060) 2.001 13.535 ( 14.707 -0.618 4.878) 15.508 13.816 ( 39.085 -2.876 -18.832) 43.481 15.863 ( -2.323 -0.246 6.770) 7.162 16.235 ( -1.516 -0.220 -2.988) 3.358 ======================= Grid point 172 (73/160) ======================= q-point: ( 0.22 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 5.399 -11.263 8.118) 14.896 1.345 ( 15.249 -6.892 14.692) 22.268 1.689 ( 11.881 -6.068 7.017) 15.074 2.046 ( 7.723 3.099 -0.822) 8.362 2.183 ( 7.712 -2.951 11.731) 14.345 2.374 ( 5.616 -0.219 -9.527) 11.061 2.608 ( 1.588 2.308 -2.071) 3.484 2.748 ( 9.949 4.613 0.727) 10.991 2.840 ( 1.778 -5.546 -1.126) 5.932 3.290 ( 3.298 1.163 9.647) 10.261 3.376 ( -2.390 -3.248 12.696) 13.321 3.701 ( -4.585 5.467 3.373) 7.893 3.814 ( 0.298 8.579 2.084) 8.833 3.902 ( -5.242 -2.181 3.037) 6.438 4.073 ( 1.870 3.765 5.914) 7.255 4.172 ( -2.585 -1.140 2.867) 4.025 4.329 ( -5.467 -1.167 -5.040) 7.527 4.407 ( -4.380 -2.214 -3.919) 6.280 4.513 ( 0.402 1.577 -4.817) 5.084 4.627 ( -1.160 -2.742 -1.349) 3.268 4.797 ( 6.037 -1.048 -6.911) 9.236 5.017 ( 4.131 -0.153 -8.222) 9.202 5.354 ( -2.631 3.185 -4.096) 5.818 5.608 ( -0.865 -1.323 -9.675) 9.803 5.919 ( 1.546 -0.679 5.486) 5.740 6.156 ( 0.045 -0.073 -3.375) 3.376 6.665 ( -7.591 5.615 12.049) 15.308 6.743 ( -6.539 1.730 5.217) 8.542 6.988 ( -16.410 -2.672 10.747) 19.797 7.142 ( -0.656 -0.774 2.979) 3.147 7.580 ( -1.365 2.679 -5.346) 6.134 7.883 ( -11.841 4.049 -15.331) 19.789 8.875 ( 9.265 1.519 2.079) 9.616 8.945 ( 0.209 7.974 3.089) 8.554 9.222 ( 0.362 1.196 5.332) 5.477 9.410 ( 6.539 -1.088 0.542) 6.651 9.510 ( -4.219 -8.003 -1.162) 9.122 9.558 ( 1.336 1.222 0.377) 1.850 10.315 ( -4.410 -4.265 3.437) 7.033 10.547 ( 0.240 4.706 -2.574) 5.369 10.883 ( -9.003 -2.627 -1.249) 9.461 11.087 ( -0.147 1.646 -1.845) 2.477 11.489 ( 3.506 2.203 -0.195) 4.145 11.590 ( 2.768 -3.571 -0.812) 4.591 11.989 ( -1.837 2.610 11.080) 11.531 12.106 ( -10.099 -2.627 10.574) 14.856 12.569 ( -4.340 1.137 -2.225) 5.008 12.716 ( -5.393 -4.757 -3.755) 8.113 13.104 ( 1.744 -0.940 1.466) 2.465 13.475 ( -1.408 -1.448 -2.408) 3.143 13.799 ( 15.052 -0.041 8.934) 17.504 14.399 ( 29.252 4.495 -22.838) 37.383 15.823 ( -3.006 -0.633 6.582) 7.263 16.201 ( -2.622 -0.364 -2.795) 3.849 ======================= Grid point 173 (74/160) ======================= q-point: ( 0.33 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 5.429 -11.398 3.744) 13.169 1.661 ( 12.474 -7.825 12.215) 19.132 1.906 ( 6.450 -5.628 2.794) 9.005 2.182 ( 9.242 2.028 -5.250) 10.821 2.328 ( 4.132 -0.362 7.857) 8.884 2.452 ( 5.723 0.566 -0.075) 5.751 2.654 ( 6.379 -0.550 -1.712) 6.627 2.835 ( 9.720 8.863 5.447) 14.237 2.968 ( 4.058 -7.361 2.640) 8.810 3.349 ( -0.384 0.806 5.827) 5.895 3.367 ( 0.798 -1.526 9.874) 10.023 3.541 ( -6.848 5.332 4.020) 9.565 3.656 ( -4.055 5.462 2.747) 7.337 3.904 ( -3.501 -2.553 3.832) 5.784 4.035 ( -2.050 2.135 3.730) 4.761 4.106 ( -3.107 3.894 -3.365) 6.012 4.294 ( -1.819 -4.344 4.046) 6.209 4.396 ( -0.356 -3.759 -1.980) 4.264 4.505 ( 0.859 2.270 -6.709) 7.134 4.615 ( -2.399 0.009 -1.697) 2.939 4.863 ( 1.793 1.944 -6.108) 6.656 5.105 ( 5.407 -2.760 -10.898) 12.475 5.268 ( -3.451 3.515 -4.201) 6.474 5.586 ( -2.358 -0.712 -8.325) 8.682 5.950 ( 1.272 -0.035 5.279) 5.430 6.154 ( -0.238 0.217 -1.494) 1.528 6.367 ( -14.131 6.646 22.957) 27.765 6.685 ( -2.388 -1.349 3.630) 4.550 6.847 ( -6.836 -4.250 1.759) 8.239 7.146 ( 0.151 -0.166 2.340) 2.351 7.522 ( -2.372 2.891 -8.687) 9.458 7.713 ( -4.362 1.238 -16.697) 17.302 8.882 ( 1.603 7.387 4.226) 8.660 8.984 ( 3.526 -0.779 3.828) 5.262 9.203 ( -0.744 1.589 7.253) 7.462 9.453 ( -2.366 -1.880 2.600) 3.986 9.544 ( 1.861 -1.074 -4.543) 5.025 9.628 ( 4.579 -4.367 3.954) 7.462 10.293 ( -2.080 -3.440 -0.195) 4.024 10.523 ( 1.141 3.182 -2.558) 4.239 10.785 ( -6.014 -2.603 -2.343) 6.960 11.080 ( 2.129 2.897 -3.472) 4.998 11.517 ( 2.969 3.700 0.258) 4.751 11.672 ( 2.765 -3.110 -0.200) 4.166 11.958 ( -0.651 1.272 8.622) 8.739 12.019 ( -4.294 -2.945 10.000) 11.275 12.512 ( -1.711 -0.109 -2.433) 2.977 12.660 ( -5.819 -3.631 -4.019) 7.950 13.140 ( 1.226 -1.324 2.430) 3.027 13.461 ( -1.591 -1.057 -2.662) 3.276 14.017 ( 10.198 0.654 9.640) 14.048 14.736 ( 17.911 5.363 -18.880) 26.571 15.780 ( -3.045 -0.958 6.543) 7.280 16.159 ( -2.481 -0.355 -2.639) 3.639 ======================= Grid point 174 (75/160) ======================= q-point: ( 0.44 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 3.306 -7.312 1.330) 8.134 1.860 ( 0.488 -3.895 10.878) 11.565 2.034 ( 5.247 -3.869 -1.165) 6.622 2.204 ( -4.810 -1.425 -5.140) 7.183 2.406 ( 5.450 1.463 13.273) 14.422 2.549 ( 5.887 1.358 -3.153) 6.815 2.796 ( 10.768 2.855 1.481) 11.238 2.960 ( 11.032 2.362 8.924) 14.385 3.102 ( 3.909 -4.983 4.098) 7.543 3.242 ( -6.303 1.906 1.836) 6.836 3.373 ( -3.690 1.633 0.376) 4.053 3.405 ( -1.698 2.395 6.746) 7.357 3.655 ( 3.268 -1.411 7.889) 8.655 3.781 ( -11.991 -0.263 1.551) 12.094 3.977 ( -3.763 0.142 1.927) 4.230 4.050 ( -1.618 -0.906 1.169) 2.192 4.317 ( -0.727 -2.514 5.939) 6.490 4.443 ( 1.948 -0.765 -1.196) 2.411 4.496 ( 0.169 0.157 -8.126) 8.130 4.551 ( 0.117 6.102 -4.049) 7.324 4.850 ( -0.206 1.056 -6.130) 6.224 5.177 ( -2.970 3.209 -5.339) 6.901 5.231 ( 4.869 -4.066 -9.253) 11.218 5.549 ( -2.297 -0.582 -5.908) 6.365 5.949 ( -0.869 1.463 5.976) 6.214 6.106 ( -4.688 1.549 17.392) 18.079 6.198 ( -0.680 1.096 0.692) 1.464 6.671 ( -0.975 -1.204 4.246) 4.520 6.803 ( -2.451 -2.451 0.129) 3.468 7.148 ( -0.115 -0.172 2.895) 2.902 7.469 ( -0.458 1.022 -11.904) 11.957 7.682 ( 0.694 -0.427 -15.403) 15.424 8.849 ( 1.337 5.060 5.018) 7.251 9.023 ( 0.310 -1.262 4.387) 4.575 9.179 ( -0.942 0.366 6.831) 6.906 9.423 ( -3.214 -1.342 3.955) 5.270 9.566 ( 0.802 -0.098 -3.598) 3.688 9.747 ( 4.204 -3.143 6.217) 8.136 10.312 ( 0.650 -2.000 -4.199) 4.696 10.514 ( 0.925 2.145 -3.300) 4.043 10.721 ( -4.600 -2.774 -2.388) 5.879 11.100 ( 4.212 4.295 -4.280) 7.383 11.517 ( 1.217 3.751 1.329) 4.162 11.732 ( 1.076 -2.296 -0.715) 2.634 11.921 ( -2.608 0.386 8.395) 8.800 12.017 ( -0.049 -2.453 8.783) 9.120 12.513 ( 1.611 -0.330 -3.152) 3.555 12.593 ( -4.759 -1.630 -3.310) 6.022 13.173 ( 1.406 -0.827 3.062) 3.469 13.442 ( -1.108 0.098 -2.928) 3.132 14.119 ( 2.039 0.588 9.203) 9.444 14.919 ( 8.551 1.735 -15.903) 18.140 15.748 ( -1.643 -0.921 6.769) 7.026 16.130 ( -0.918 -0.083 -2.583) 2.743 ======================= Grid point 175 (76/160) ======================= q-point: (-0.44 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -3.188 1.292 -0.377) 3.460 1.753 ( -10.910 3.615 9.527) 14.929 2.106 ( -4.227 -3.896 3.409) 6.683 2.151 ( -3.261 -2.695 -4.530) 6.198 2.459 ( 3.432 -0.269 16.218) 16.579 2.626 ( 4.025 2.090 -11.763) 12.607 2.872 ( -0.737 5.486 1.624) 5.769 3.089 ( 4.372 -2.050 7.948) 9.300 3.161 ( 0.373 -3.291 8.103) 8.753 3.269 ( 2.931 -4.312 3.417) 6.234 3.309 ( 3.792 2.394 0.954) 4.584 3.392 ( -0.044 0.295 3.873) 3.884 3.533 ( -13.508 1.266 -0.576) 13.580 3.737 ( 1.609 -1.876 8.467) 8.821 3.922 ( -2.363 -0.681 3.411) 4.205 4.000 ( -6.077 -2.180 4.863) 8.082 4.307 ( -0.587 -0.245 5.343) 5.381 4.433 ( -0.089 3.976 -8.700) 9.566 4.531 ( 3.108 1.857 -3.317) 4.910 4.567 ( 5.919 0.739 -6.254) 8.643 4.851 ( 0.689 -0.485 -5.118) 5.187 5.105 ( -2.374 2.089 -5.055) 5.962 5.326 ( 1.781 -3.756 -6.801) 7.970 5.527 ( -0.508 -0.286 -5.551) 5.581 5.928 ( 0.603 1.151 6.088) 6.225 6.065 ( 0.661 0.138 16.473) 16.487 6.212 ( 2.269 0.406 -1.463) 2.730 6.674 ( 0.044 -0.717 4.446) 4.504 6.807 ( 1.149 -0.220 -0.217) 1.190 7.147 ( -0.467 -0.514 3.070) 3.148 7.483 ( 1.505 -1.351 -10.823) 11.010 7.734 ( 4.799 -1.878 -15.567) 16.398 8.824 ( 0.236 3.620 5.785) 6.828 9.041 ( 0.109 -2.290 4.787) 5.308 9.165 ( -1.201 -0.914 5.547) 5.749 9.367 ( -4.553 -0.783 3.605) 5.860 9.577 ( -0.150 -0.784 -3.307) 3.402 9.823 ( 2.471 -0.416 7.420) 7.832 10.321 ( 0.188 2.008 -5.226) 5.602 10.530 ( 1.839 -1.255 -4.372) 4.906 10.684 ( -2.694 -2.762 -1.714) 4.222 11.130 ( 4.971 5.722 -4.281) 8.704 11.487 ( -0.924 2.948 1.943) 3.650 11.739 ( -2.459 -0.808 -2.273) 3.445 11.886 ( -1.944 -1.558 10.410) 10.704 12.049 ( 1.587 -0.954 8.046) 8.256 12.540 ( -1.730 0.417 -2.248) 2.867 12.564 ( 4.032 0.307 -4.016) 5.699 13.203 ( 1.626 0.293 3.405) 3.784 13.424 ( -0.078 1.220 -3.501) 3.708 14.074 ( -7.000 0.243 8.258) 10.829 14.990 ( -1.122 -3.978 -15.442) 15.986 15.751 ( 1.196 -0.347 6.966) 7.077 16.131 ( 1.175 0.323 -2.662) 2.928 ======================= Grid point 176 (77/160) ======================= q-point: (-0.33 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -8.299 7.307 0.381) 11.064 1.484 ( -13.984 6.872 11.623) 19.439 1.935 ( -14.753 1.313 4.472) 15.471 2.164 ( -2.338 -5.609 0.419) 6.091 2.502 ( -0.903 -0.216 11.677) 11.714 2.620 ( -2.381 1.847 -14.649) 14.956 2.743 ( -5.303 5.960 -2.417) 8.336 3.065 ( -13.156 -1.584 3.367) 13.672 3.164 ( -3.264 -4.865 6.349) 8.638 3.257 ( -8.631 0.499 0.932) 8.695 3.362 ( 8.828 -0.458 6.596) 11.030 3.401 ( -2.043 0.208 10.709) 10.904 3.531 ( 11.485 -0.844 8.762) 14.471 3.723 ( -1.385 0.840 1.846) 2.456 3.914 ( -0.139 -2.993 9.935) 10.377 4.023 ( 5.166 -4.603 -3.434) 7.724 4.314 ( 0.611 0.323 6.054) 6.093 4.392 ( -0.917 1.106 -12.225) 12.309 4.551 ( 2.059 2.967 -2.816) 4.580 4.660 ( 4.989 0.639 -5.635) 7.553 4.869 ( 1.174 1.039 -3.727) 4.044 5.052 ( -2.750 -0.224 -5.577) 6.222 5.368 ( -0.163 -3.498 -4.487) 5.692 5.532 ( 1.163 0.862 -7.787) 7.920 5.926 ( 0.025 1.759 4.252) 4.601 6.130 ( 3.749 -1.574 7.986) 8.961 6.295 ( 9.587 -1.405 9.272) 13.412 6.690 ( 1.176 -0.471 4.702) 4.870 6.839 ( 3.765 2.181 0.012) 4.351 7.145 ( -0.570 -0.866 2.604) 2.803 7.517 ( 0.489 -1.983 -9.187) 9.411 7.885 ( 9.452 -4.697 -13.889) 17.444 8.778 ( -2.287 2.980 7.116) 8.047 9.079 ( 0.460 -4.361 3.850) 5.836 9.158 ( -1.032 -1.322 4.263) 4.581 9.296 ( -4.560 -0.974 1.908) 5.038 9.569 ( -1.746 -1.017 -3.310) 3.878 9.837 ( -0.161 1.968 5.058) 5.430 10.298 ( 1.574 4.225 -2.204) 5.018 10.568 ( -0.628 -2.913 -4.798) 5.648 10.709 ( 3.192 -3.058 -0.597) 4.461 11.150 ( 4.660 7.062 -3.602) 9.196 11.434 ( -2.153 2.308 2.118) 3.801 11.669 ( -5.114 0.928 -1.771) 5.491 11.891 ( -0.587 -3.095 11.103) 11.541 12.092 ( 3.042 0.431 8.301) 8.851 12.533 ( 2.281 1.564 -1.812) 3.306 12.633 ( 4.394 0.481 -4.232) 6.119 13.222 ( 1.426 1.131 3.428) 3.882 13.415 ( 0.833 1.956 -4.328) 4.822 13.888 ( -14.328 0.487 6.917) 15.918 14.948 ( -10.927 -8.493 -17.682) 22.454 15.793 ( 3.161 0.093 6.968) 7.652 16.159 ( 2.522 0.531 -2.873) 3.859 ======================= Grid point 177 (78/160) ======================= q-point: (-0.22 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -7.235 6.933 5.585) 11.472 1.183 ( -13.016 7.250 14.386) 20.711 1.634 ( -16.722 4.423 5.754) 18.229 2.129 ( -7.158 -3.897 4.210) 9.173 2.443 ( -6.934 -0.958 11.125) 13.143 2.488 ( -10.019 1.809 -11.985) 15.725 2.596 ( -5.534 6.374 -5.064) 9.844 2.841 ( -10.649 0.133 -2.203) 10.875 3.029 ( -9.311 2.201 -1.438) 9.675 3.219 ( -1.288 -4.352 12.075) 12.900 3.361 ( -1.892 0.959 13.557) 13.722 3.569 ( 11.378 -3.307 7.485) 14.015 3.640 ( 1.999 0.859 6.621) 6.969 3.759 ( 4.670 0.051 5.005) 6.845 4.013 ( 6.104 -4.741 4.891) 9.146 4.170 ( 6.787 -1.176 -6.619) 9.553 4.321 ( 0.347 -2.053 1.790) 2.746 4.387 ( -0.524 -2.348 -8.438) 8.774 4.542 ( 0.466 2.819 -4.649) 5.457 4.717 ( 2.952 0.883 -2.367) 3.885 4.849 ( -0.390 4.315 -2.728) 5.120 5.006 ( -4.777 -2.478 -6.924) 8.770 5.402 ( 0.485 -3.363 -5.322) 6.314 5.533 ( 1.002 2.544 -7.964) 8.420 5.904 ( -0.559 1.439 4.302) 4.571 6.168 ( 0.380 -0.047 -1.198) 1.257 6.594 ( 17.639 -4.599 14.307) 23.172 6.731 ( 2.884 -2.575 6.534) 7.592 6.907 ( 9.678 3.850 3.784) 11.082 7.146 ( -0.215 -0.526 2.108) 2.183 7.532 ( -0.430 -1.511 -8.766) 8.905 8.117 ( 10.489 -7.300 -9.932) 16.185 8.687 ( -5.393 2.657 8.117) 10.101 9.113 ( -3.688 -5.308 -0.920) 6.528 9.161 ( 0.165 -0.406 4.700) 4.721 9.250 ( -1.552 -2.447 0.650) 2.970 9.538 ( -2.935 -1.104 -2.060) 3.752 9.789 ( -2.037 3.437 -0.049) 3.996 10.303 ( 3.629 4.186 1.967) 5.879 10.581 ( -0.264 -3.099 -3.738) 4.862 10.840 ( 7.430 -4.468 0.491) 8.684 11.152 ( 4.417 7.894 -2.209) 9.312 11.380 ( -1.097 2.658 2.304) 3.685 11.570 ( -4.540 1.481 -1.195) 4.923 11.933 ( 1.546 -4.514 12.137) 13.042 12.145 ( 4.830 2.746 9.170) 10.722 12.588 ( 5.710 0.926 -1.887) 6.085 12.695 ( 3.485 0.492 -3.602) 5.036 13.233 ( 1.166 1.090 3.135) 3.518 13.408 ( 0.282 1.699 -5.135) 5.416 13.602 ( -17.681 1.635 4.752) 18.382 14.754 ( -22.691 -8.853 -22.025) 32.838 15.848 ( 2.961 0.087 6.928) 7.535 16.199 ( 2.624 0.443 -3.117) 4.099 ======================= Grid point 178 (79/160) ======================= q-point: (-0.11 0.00 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -7.772 1.669 16.747) 18.538 0.958 ( -3.930 6.066 15.127) 16.765 1.332 ( -11.547 4.907 8.589) 15.205 2.062 ( -1.124 -1.306 6.715) 6.933 2.265 ( -12.643 -1.058 -2.806) 12.994 2.297 ( -11.099 1.379 14.869) 18.606 2.432 ( -7.286 3.367 -11.119) 13.713 2.756 ( 0.056 0.624 -5.923) 5.956 2.888 ( -5.523 0.972 -4.768) 7.361 3.241 ( -0.197 -1.725 11.222) 11.355 3.334 ( -0.255 0.555 15.931) 15.943 3.636 ( -0.085 1.098 -2.046) 2.324 3.798 ( 10.384 -2.928 10.615) 15.136 3.832 ( 3.610 -0.742 12.825) 13.344 4.142 ( 3.574 -2.405 0.948) 4.411 4.216 ( 0.810 2.886 -6.530) 7.186 4.401 ( 3.743 -3.700 -1.224) 5.404 4.408 ( 0.299 -3.081 -9.144) 9.654 4.517 ( -0.251 2.050 -4.895) 5.312 4.742 ( -0.568 -0.426 1.372) 1.544 4.799 ( 1.072 3.986 -4.444) 6.066 4.917 ( -7.843 -1.293 -7.178) 10.710 5.444 ( 0.164 -3.447 -5.827) 6.772 5.520 ( 1.736 3.596 -7.646) 8.626 5.887 ( -0.312 0.609 4.205) 4.260 6.163 ( -0.420 0.243 -2.626) 2.671 6.732 ( 2.308 0.571 3.040) 3.860 6.850 ( 2.960 -1.771 0.165) 3.453 7.126 ( 0.153 -1.747 3.095) 3.557 7.297 ( 29.509 -2.356 16.564) 33.922 7.530 ( -0.800 -0.706 -8.620) 8.686 8.335 ( 5.726 -6.979 -6.514) 11.132 8.555 ( -6.898 2.421 8.533) 11.237 9.056 ( -5.173 -1.345 -6.005) 8.039 9.158 ( -0.310 0.353 4.564) 4.588 9.298 ( 0.593 -5.428 0.019) 5.461 9.507 ( -1.536 -1.892 -0.438) 2.476 9.705 ( -3.442 4.429 -3.907) 6.836 10.329 ( 2.971 2.641 3.682) 5.418 10.619 ( 0.859 -2.697 -2.812) 3.989 11.017 ( 5.484 -6.157 0.398) 8.255 11.158 ( 4.354 5.793 -0.463) 7.262 11.365 ( 3.486 3.364 2.730) 5.561 11.500 ( -1.992 1.110 -1.534) 2.748 12.058 ( 4.165 -7.934 12.296) 15.215 12.237 ( 15.549 6.422 9.578) 19.359 12.703 ( 7.838 -0.301 -1.301) 7.951 12.741 ( 2.992 0.707 -2.187) 3.773 13.223 ( -7.173 -0.027 1.202) 7.273 13.307 ( -7.228 1.799 3.958) 8.435 13.390 ( -2.607 1.301 -7.094) 7.669 14.292 ( -39.176 -3.130 -21.509) 44.802 15.886 ( 1.247 0.021 6.827) 6.940 16.232 ( 1.678 0.231 -3.232) 3.649 ======================= Grid point 180 (80/160) ======================= q-point: ( 0.11 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 6.479 -0.000 10.021) 11.933 1.274 ( 15.787 -0.000 16.173) 22.600 1.625 ( 12.644 -0.000 8.258) 15.102 2.104 ( 8.059 -0.000 -12.354) 14.750 2.128 ( 7.881 -0.000 23.424) 24.714 2.372 ( 6.810 -0.000 -9.693) 11.846 2.637 ( -4.316 0.000 -2.616) 5.047 2.737 ( 9.740 -0.000 -0.202) 9.743 2.848 ( 8.946 -0.000 -5.582) 10.545 3.310 ( 2.941 -0.000 10.376) 10.785 3.329 ( -3.943 0.000 14.439) 14.968 3.790 ( 2.117 -0.000 -0.019) 2.117 3.827 ( -6.508 0.000 8.955) 11.070 3.964 ( -2.751 0.000 0.150) 2.756 4.068 ( -1.202 0.000 2.394) 2.678 4.144 ( -1.218 0.000 10.340) 10.412 4.344 ( -4.831 0.000 -9.222) 10.410 4.364 ( -8.355 0.000 -3.632) 9.110 4.540 ( -0.152 0.000 -6.988) 6.990 4.590 ( 0.668 -0.000 1.422) 1.571 4.788 ( 7.549 -0.000 -7.750) 10.819 5.015 ( 3.535 -0.000 -7.078) 7.911 5.388 ( -2.915 0.000 -4.090) 5.022 5.593 ( -0.040 0.000 -10.195) 10.195 5.912 ( 1.764 -0.000 5.437) 5.716 6.155 ( 0.272 -0.000 -3.846) 3.856 6.698 ( -2.504 0.000 3.744) 4.504 6.802 ( -4.270 0.000 -0.330) 4.283 6.945 ( -27.332 0.000 25.455) 37.349 7.134 ( 0.696 -0.000 1.487) 1.641 7.609 ( -1.890 0.000 -4.621) 4.992 7.924 ( -14.146 0.000 -15.144) 20.723 8.874 ( 7.812 -0.000 3.875) 8.720 9.126 ( 1.662 -0.000 -4.772) 5.053 9.180 ( 2.365 -0.000 3.640) 4.341 9.386 ( -5.461 0.000 5.932) 8.063 9.413 ( 4.380 -0.000 -0.100) 4.382 9.569 ( 0.425 -0.000 0.158) 0.453 10.271 ( -3.337 0.000 4.233) 5.391 10.621 ( 0.775 -0.000 -4.360) 4.428 10.830 ( -11.091 0.000 0.058) 11.091 11.109 ( 0.561 -0.000 -1.784) 1.870 11.512 ( 4.648 -0.000 1.350) 4.840 11.552 ( 3.278 -0.000 -3.445) 4.755 12.036 ( -2.597 0.000 10.215) 10.540 12.055 ( -11.223 0.000 15.167) 18.868 12.599 ( -5.767 0.000 -1.417) 5.939 12.651 ( -3.566 0.000 -4.465) 5.714 13.096 ( 1.667 -0.000 0.900) 1.894 13.459 ( -1.360 0.000 -2.506) 2.851 13.799 ( 15.675 -0.000 9.706) 18.436 14.446 ( 30.757 -0.000 -25.792) 40.140 15.817 ( -3.067 0.000 6.672) 7.343 16.197 ( -2.593 0.000 -2.835) 3.842 ======================= Grid point 181 (81/160) ======================= q-point: ( 0.22 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 8.548 -4.948 4.429) 10.824 1.549 ( 13.855 -3.215 14.720) 20.469 1.818 ( 8.269 -2.643 4.364) 9.716 2.224 ( 5.921 1.814 -9.677) 11.488 2.310 ( 9.061 -1.212 14.524) 17.161 2.476 ( 5.728 1.295 -2.676) 6.454 2.645 ( 7.751 -0.262 -2.645) 8.194 2.830 ( 2.813 -3.700 -2.311) 5.190 3.029 ( 11.563 7.235 3.126) 13.994 3.282 ( -3.480 -4.760 12.456) 13.781 3.369 ( 3.665 0.347 8.736) 9.480 3.653 ( -7.427 5.806 4.612) 10.495 3.735 ( -9.065 -0.909 1.645) 9.258 3.916 ( -0.542 5.823 1.493) 6.036 4.074 ( -5.979 -0.957 6.146) 8.628 4.112 ( 0.141 -3.367 3.362) 4.760 4.206 ( -8.575 -0.897 -1.357) 8.728 4.315 ( -0.212 -3.455 -4.659) 5.804 4.555 ( 2.019 2.529 -5.540) 6.416 4.599 ( 0.070 -1.570 -1.107) 1.923 4.909 ( 6.375 1.957 -7.372) 9.941 5.059 ( 1.935 -1.699 -8.657) 9.031 5.318 ( -4.250 1.407 -5.347) 6.974 5.578 ( -1.560 -0.132 -9.053) 9.187 5.950 ( 2.378 0.003 5.313) 5.821 6.159 ( 0.149 0.159 -2.749) 2.757 6.488 ( -20.008 4.795 26.179) 33.296 6.668 ( -2.113 -0.416 3.174) 3.836 6.758 ( -4.368 -3.956 1.223) 6.018 7.144 ( 0.369 -0.051 1.637) 1.679 7.574 ( -1.683 1.925 -6.673) 7.146 7.718 ( -8.648 -0.328 -17.586) 19.600 8.963 ( 2.945 0.134 6.507) 7.144 9.062 ( -0.192 8.526 -1.261) 8.621 9.217 ( -1.526 -0.317 6.325) 6.514 9.365 ( -2.370 -6.793 3.716) 8.097 9.504 ( 5.934 -1.348 0.153) 6.087 9.581 ( 0.958 -0.544 0.381) 1.166 10.243 ( -0.647 -1.448 2.555) 3.007 10.604 ( 0.143 4.300 -4.065) 5.919 10.716 ( -5.722 -3.882 -2.189) 7.253 11.132 ( 3.430 1.833 -3.989) 5.571 11.582 ( 4.149 2.486 -1.367) 5.026 11.621 ( 3.717 -1.897 -1.058) 4.305 11.953 ( -3.037 -1.632 13.394) 13.831 11.990 ( -3.107 0.352 9.776) 10.264 12.522 ( -2.191 0.878 -2.074) 3.142 12.598 ( -4.110 -2.331 -4.050) 6.223 13.124 ( 1.608 -0.405 1.673) 2.356 13.443 ( -0.924 -0.607 -2.537) 2.767 14.027 ( 10.366 0.323 10.619) 14.844 14.817 ( 15.883 2.465 -22.140) 27.359 15.767 ( -2.935 -0.329 6.739) 7.357 16.153 ( -2.349 -0.161 -2.708) 3.588 ======================= Grid point 182 (82/160) ======================= q-point: ( 0.33 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 8.854 -5.846 1.239) 10.682 1.778 ( 7.183 -3.732 14.287) 16.420 1.957 ( 4.993 -3.437 -0.897) 6.128 2.198 ( -6.162 0.432 -3.663) 7.182 2.436 ( 5.763 1.199 14.619) 15.760 2.586 ( 8.133 2.404 -6.737) 10.831 2.839 ( 13.008 1.481 -0.803) 13.117 2.936 ( 4.268 -4.982 -1.670) 6.770 3.086 ( 4.903 4.303 11.004) 12.793 3.261 ( -6.398 -1.508 6.387) 9.166 3.394 ( -0.056 0.602 4.873) 4.911 3.479 ( -6.602 4.888 3.650) 8.989 3.660 ( 0.977 0.371 3.789) 3.931 3.805 ( -6.437 4.238 3.500) 8.465 3.966 ( -5.728 -0.569 2.777) 6.391 4.051 ( -6.895 0.254 -0.388) 6.911 4.185 ( -2.594 -9.675 3.411) 10.581 4.383 ( 2.882 -3.417 -1.530) 4.724 4.525 ( -2.095 1.957 0.674) 2.946 4.642 ( 4.522 2.007 -8.298) 9.661 4.921 ( 0.661 5.759 -6.524) 8.727 5.144 ( 3.421 -4.845 -7.219) 9.343 5.229 ( -3.564 1.823 -8.304) 9.219 5.545 ( -1.863 0.169 -5.748) 6.044 5.980 ( 1.208 1.450 5.287) 5.614 6.131 ( -5.112 0.867 12.732) 13.747 6.224 ( -4.762 1.428 6.902) 8.506 6.654 ( -0.343 -0.575 4.020) 4.076 6.750 ( -0.371 -2.663 0.344) 2.710 7.146 ( -0.228 -0.064 2.088) 2.102 7.508 ( -1.929 2.841 -10.865) 11.395 7.649 ( -1.940 -2.779 -15.259) 15.631 8.959 ( -0.302 5.660 3.928) 6.896 9.014 ( 0.037 0.385 3.699) 3.719 9.176 ( -3.015 -0.450 7.017) 7.651 9.380 ( -2.204 -3.363 5.365) 6.705 9.570 ( 0.757 0.431 -4.594) 4.676 9.659 ( 4.973 -4.627 5.386) 8.669 10.277 ( 2.714 -1.335 -0.199) 3.031 10.566 ( -0.373 2.743 -4.125) 4.968 10.665 ( -4.328 -2.731 -3.228) 6.051 11.182 ( 5.423 3.669 -4.772) 8.102 11.595 ( 1.156 3.956 -1.219) 4.298 11.693 ( 2.321 -1.702 -0.018) 2.878 11.928 ( -3.448 -0.151 10.065) 10.640 11.965 ( 0.583 -2.145 9.343) 9.604 12.514 ( 1.870 0.406 -3.133) 3.671 12.560 ( -2.302 -1.691 -3.176) 4.272 13.163 ( 2.615 -0.291 2.585) 3.688 13.436 ( -0.451 -0.492 -2.661) 2.744 14.129 ( 1.667 0.452 9.939) 10.088 14.953 ( 3.494 1.538 -17.496) 17.908 15.737 ( -0.801 -0.274 6.918) 6.969 16.128 ( -0.590 -0.118 -2.586) 2.655 ======================= Grid point 183 (83/160) ======================= q-point: (-0.56 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 5.725 -1.447 -0.069) 5.905 1.805 ( -5.144 1.733 12.212) 13.365 2.054 ( -6.409 -3.959 -2.847) 8.054 2.079 ( 0.063 -1.136 0.212) 1.157 2.483 ( 2.123 1.893 17.316) 17.548 2.677 ( 5.202 2.970 -12.141) 13.538 2.948 ( 0.976 2.461 3.087) 4.067 3.032 ( 0.005 -3.860 3.249) 5.046 3.100 ( -6.797 -1.494 4.974) 8.554 3.233 ( 9.867 -1.201 6.478) 11.865 3.363 ( -0.581 2.807 2.308) 3.680 3.406 ( 0.928 1.460 5.253) 5.531 3.568 ( -11.052 2.588 -0.435) 11.360 3.734 ( 2.119 1.524 3.833) 4.637 3.894 ( -4.310 -1.929 1.446) 4.938 3.960 ( -5.313 -1.347 8.068) 9.754 4.223 ( -3.559 -7.675 3.666) 9.221 4.452 ( 0.315 -4.321 -2.506) 5.005 4.495 ( 2.195 1.587 -2.409) 3.625 4.691 ( 5.522 5.346 -7.776) 10.934 4.872 ( 0.313 3.906 -6.562) 7.643 5.138 ( -3.760 0.703 -4.894) 6.212 5.255 ( 2.635 -3.443 -8.360) 9.417 5.521 ( -0.395 -0.048 -3.200) 3.225 5.962 ( 0.395 2.318 7.916) 8.258 6.065 ( -1.248 -0.269 14.831) 14.886 6.218 ( 1.859 0.155 -2.505) 3.123 6.665 ( 1.014 -0.205 4.542) 4.658 6.795 ( 3.399 -0.902 -0.006) 3.517 7.139 ( -0.824 -0.307 2.265) 2.430 7.476 ( 0.287 0.710 -10.796) 10.823 7.676 ( 1.603 -3.905 -14.962) 15.546 8.897 ( -1.413 3.698 2.923) 4.921 9.017 ( 0.200 -0.158 6.080) 6.085 9.137 ( -3.037 -1.823 5.385) 6.445 9.350 ( -3.951 -1.210 6.465) 7.672 9.568 ( -0.532 -0.119 -4.180) 4.215 9.778 ( 3.644 -3.590 5.807) 7.739 10.343 ( 4.082 0.595 -2.075) 4.618 10.531 ( -1.378 0.850 -5.186) 5.433 10.634 ( -1.702 -2.167 -2.399) 3.654 11.234 ( 5.215 4.517 -4.297) 8.128 11.552 ( -1.456 3.654 0.180) 3.938 11.723 ( -0.474 -0.815 -0.884) 1.292 11.875 ( -2.456 0.390 9.654) 9.969 12.011 ( 1.462 -2.771 7.808) 8.413 12.538 ( 0.606 -0.268 -2.268) 2.363 12.582 ( 4.781 1.185 -4.240) 6.499 13.215 ( 3.584 0.930 3.331) 4.981 13.437 ( 0.481 0.093 -3.066) 3.105 14.079 ( -7.097 0.302 8.331) 10.948 14.919 ( -7.417 -3.074 -14.377) 16.467 15.752 ( 2.286 0.319 6.746) 7.130 16.136 ( 1.528 0.184 -2.542) 2.972 ======================= Grid point 184 (84/160) ======================= q-point: (-0.44 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -2.964 7.411 0.342) 7.989 1.626 ( -10.034 7.140 12.377) 17.460 1.922 ( -10.123 -2.463 2.422) 10.696 2.089 ( -3.449 -2.528 -1.341) 4.481 2.498 ( -0.107 0.846 14.082) 14.108 2.670 ( -2.452 2.970 -14.038) 14.556 2.850 ( -5.980 3.918 -0.499) 7.167 3.026 ( -4.646 -3.390 7.292) 9.288 3.049 ( -4.810 -3.702 4.704) 7.679 3.272 ( -8.857 0.287 -1.932) 9.070 3.351 ( 0.216 -0.293 5.871) 5.882 3.443 ( 2.362 3.457 8.622) 9.585 3.510 ( 12.307 -1.083 4.446) 13.130 3.753 ( -0.568 1.595 1.854) 2.511 3.870 ( -2.202 -0.566 12.561) 12.765 3.913 ( 1.359 -5.947 -0.860) 6.161 4.234 ( -3.190 -7.386 3.535) 8.788 4.449 ( -0.364 2.825 -7.284) 7.821 4.561 ( 2.677 -1.836 -4.192) 5.302 4.729 ( 5.343 4.963 -4.990) 8.836 4.863 ( 0.834 0.234 -5.614) 5.680 5.066 ( -3.667 1.050 -5.836) 6.972 5.308 ( 0.542 -2.778 -3.882) 4.804 5.536 ( 1.788 -0.216 -5.643) 5.924 5.969 ( 1.451 2.509 4.579) 5.419 6.090 ( 2.761 -2.351 12.885) 13.386 6.273 ( 5.135 -0.887 3.025) 6.025 6.692 ( 2.181 0.541 4.683) 5.194 6.873 ( 5.867 1.231 -0.298) 6.002 7.128 ( -0.956 -0.776 2.000) 2.348 7.484 ( 0.174 -1.217 -9.066) 9.149 7.779 ( 5.284 -5.934 -14.166) 16.243 8.831 ( -3.468 2.322 4.485) 6.126 9.027 ( 0.176 -0.993 5.604) 5.694 9.116 ( -2.121 -3.021 2.833) 4.653 9.285 ( -4.318 -0.205 6.037) 7.425 9.552 ( -1.859 -0.753 -3.977) 4.454 9.843 ( 1.056 -1.089 4.392) 4.646 10.383 ( 3.709 4.312 -1.537) 5.891 10.520 ( -0.549 -1.824 -4.408) 4.802 10.657 ( 2.361 -2.257 -2.013) 3.837 11.263 ( 3.096 4.170 -3.128) 6.063 11.490 ( -1.317 3.457 0.785) 3.782 11.687 ( -3.509 0.886 -1.698) 3.998 11.852 ( -0.694 -0.778 10.373) 10.425 12.070 ( 2.333 -2.663 6.814) 7.679 12.564 ( 3.429 1.552 -0.937) 3.879 12.656 ( 5.196 1.761 -5.142) 7.520 13.256 ( 2.769 2.350 3.721) 5.200 13.449 ( 1.538 1.268 -3.817) 4.307 13.901 ( -12.955 0.856 6.228) 14.400 14.775 ( -15.700 -8.664 -13.760) 22.603 15.801 ( 3.573 0.631 6.612) 7.542 16.169 ( 2.678 0.503 -2.677) 3.820 ======================= Grid point 185 (85/160) ======================= q-point: (-0.33 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -7.799 9.955 5.309) 13.715 1.364 ( -10.093 10.680 13.854) 20.196 1.730 ( -11.233 4.463 3.356) 12.545 2.047 ( -5.059 -3.915 0.637) 6.429 2.439 ( -6.573 0.321 11.654) 13.384 2.531 ( -10.180 2.456 -12.130) 16.025 2.728 ( -4.430 6.546 -6.149) 10.014 2.835 ( -10.592 -0.159 0.310) 10.598 3.085 ( -5.857 2.525 2.518) 6.857 3.125 ( -0.865 -4.420 8.700) 9.797 3.376 ( -1.213 -0.171 13.967) 14.021 3.510 ( 8.125 -1.577 7.051) 10.873 3.679 ( 3.882 2.436 10.798) 11.731 3.721 ( 0.613 -2.891 -3.162) 4.328 3.925 ( 5.936 -4.132 7.727) 10.584 4.068 ( 7.167 -7.507 -2.576) 10.694 4.257 ( -2.747 -6.979 3.950) 8.477 4.403 ( 0.071 4.825 -12.420) 13.324 4.585 ( 0.167 1.168 -4.905) 5.045 4.768 ( 3.697 3.635 -1.163) 5.314 4.876 ( -0.728 -2.022 -5.410) 5.821 4.985 ( -4.591 1.394 -5.978) 7.665 5.341 ( 0.516 -2.863 -3.806) 4.791 5.568 ( 2.197 0.987 -7.765) 8.130 5.948 ( -0.387 3.030 4.728) 5.629 6.158 ( 1.469 -1.256 1.825) 2.658 6.466 ( 13.005 -7.192 16.551) 22.244 6.726 ( 2.513 1.136 4.546) 5.317 6.971 ( 8.342 2.764 0.494) 8.801 7.128 ( 0.001 -1.240 1.592) 2.018 7.496 ( -0.416 -2.023 -8.486) 8.734 7.952 ( 6.407 -8.971 -11.005) 15.577 8.730 ( -6.318 1.678 6.222) 9.025 9.035 ( -1.572 -2.309 2.062) 3.472 9.127 ( -0.464 -3.597 1.512) 3.930 9.223 ( -2.864 0.227 6.034) 6.683 9.517 ( -3.073 -0.983 -3.043) 4.435 9.838 ( -1.058 1.474 0.241) 1.830 10.407 ( 5.172 6.097 1.771) 8.189 10.530 ( -0.112 -1.819 -3.477) 3.926 10.759 ( 5.835 -3.891 -1.381) 7.148 11.254 ( -0.082 2.482 -1.733) 3.029 11.455 ( 1.930 4.696 1.191) 5.215 11.605 ( -3.843 1.959 -1.686) 4.631 11.866 ( 0.406 -2.202 10.858) 11.086 12.151 ( 4.479 -2.361 5.908) 7.781 12.625 ( 6.305 2.823 -0.311) 6.915 12.717 ( 4.148 1.721 -4.407) 6.292 13.264 ( 0.764 2.095 3.734) 4.349 13.446 ( -0.811 1.856 -3.946) 4.436 13.650 ( -13.468 3.415 3.071) 14.230 14.548 ( -22.758 -11.425 -15.476) 29.799 15.854 ( 2.996 0.516 6.687) 7.346 16.210 ( 2.625 0.623 -2.940) 3.990 ======================= Grid point 186 (86/160) ======================= q-point: (-0.22 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -7.364 8.256 14.031) 17.868 1.130 ( -4.116 11.039 15.133) 19.178 1.490 ( -7.481 10.209 5.176) 13.674 2.014 ( -1.452 -3.264 1.126) 3.746 2.258 ( -13.063 0.742 1.955) 13.230 2.338 ( -9.074 2.267 7.619) 12.063 2.528 ( -8.598 5.936 -9.962) 14.436 2.771 ( 0.161 0.584 -3.330) 3.385 2.934 ( -5.362 4.017 -0.530) 6.720 3.190 ( 1.569 -2.904 10.604) 11.106 3.351 ( -0.514 1.101 15.768) 15.815 3.671 ( 1.387 1.949 -2.658) 3.576 3.713 ( 8.838 -5.512 10.152) 14.545 3.780 ( 0.477 -4.290 8.499) 9.532 4.076 ( 4.405 -4.683 2.661) 6.958 4.249 ( 1.139 -3.495 -0.257) 3.685 4.284 ( 3.859 -6.446 2.784) 8.012 4.374 ( 1.842 2.690 -17.065) 17.373 4.558 ( -1.117 1.780 -5.613) 5.994 4.771 ( 0.233 3.143 2.658) 4.122 4.865 ( -2.861 -1.972 -6.204) 7.111 4.885 ( -4.200 2.488 -5.959) 7.703 5.378 ( 0.269 -3.286 -5.104) 6.076 5.584 ( 2.037 2.700 -8.207) 8.877 5.913 ( -0.517 2.227 5.061) 5.553 6.170 ( -0.055 0.301 -1.695) 1.722 6.748 ( 2.204 -4.053 8.757) 9.898 6.759 ( 6.994 -3.031 6.708) 10.154 7.087 ( 2.603 -1.175 3.260) 4.334 7.234 ( 15.570 -3.479 7.152) 17.484 7.505 ( -0.526 -1.807 -8.445) 8.652 8.141 ( 3.530 -11.683 -7.492) 14.321 8.596 ( -7.094 1.815 7.062) 10.174 9.013 ( -3.821 -2.738 -3.675) 5.967 9.161 ( 0.523 -2.381 2.535) 3.517 9.196 ( -0.410 -1.173 6.875) 6.987 9.475 ( -2.716 -1.370 -1.112) 3.239 9.789 ( -1.954 3.393 -3.969) 5.575 10.425 ( 3.877 6.903 3.425) 8.626 10.559 ( 0.806 -2.647 -2.329) 3.616 10.907 ( 5.615 -5.291 -0.001) 7.715 11.224 ( -1.118 1.149 -1.070) 1.928 11.451 ( 1.758 4.100 2.568) 5.147 11.545 ( 0.400 3.256 -2.674) 4.232 11.925 ( 2.421 -5.130 11.969) 13.245 12.286 ( 9.729 -2.297 3.430) 10.569 12.727 ( 9.505 3.413 0.230) 10.102 12.767 ( 4.350 1.872 -2.046) 5.159 13.222 ( -7.121 -0.078 1.861) 7.361 13.361 ( -4.047 3.277 2.650) 5.843 13.440 ( -6.492 3.862 -5.692) 9.459 14.195 ( -29.119 -6.107 -15.975) 33.770 15.889 ( 1.321 0.316 6.755) 6.890 16.240 ( 1.667 0.562 -3.154) 3.611 ======================= Grid point 187 (87/160) ======================= q-point: (-0.11 0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.140 7.262 17.594) 19.034 1.012 ( 0.919 9.495 18.774) 21.059 1.345 ( 3.224 9.541 9.063) 13.548 2.065 ( -8.419 -1.502 -1.325) 8.654 2.103 ( 4.641 -3.501 -2.620) 6.377 2.192 ( -1.442 2.873 21.599) 21.837 2.369 ( -3.144 4.542 -12.141) 13.339 2.769 ( -0.317 0.922 -5.371) 5.459 2.836 ( -2.508 2.461 -3.890) 5.242 3.232 ( 0.781 -1.668 10.198) 10.363 3.361 ( 2.139 0.704 17.212) 17.358 3.662 ( 1.087 2.281 -4.671) 5.311 3.827 ( -0.238 -4.716 12.114) 13.002 3.919 ( 7.579 -5.535 8.900) 12.934 4.128 ( -3.319 -3.694 0.311) 4.976 4.223 ( -1.648 1.796 3.281) 4.087 4.389 ( 1.736 -1.485 -14.530) 14.708 4.455 ( 5.456 -3.624 -4.411) 7.897 4.519 ( -1.393 1.767 -5.593) 6.028 4.717 ( -2.750 1.891 2.094) 3.940 4.768 ( -6.906 0.663 -4.650) 8.352 4.871 ( 3.172 1.574 -5.853) 6.841 5.407 ( -0.613 -3.243 -4.906) 5.913 5.586 ( 1.993 3.164 -8.688) 9.459 5.893 ( -0.038 1.155 4.990) 5.122 6.161 ( -0.278 0.554 -2.810) 2.877 6.755 ( -0.297 0.460 3.718) 3.758 6.862 ( 0.458 -2.663 2.087) 3.414 7.109 ( -0.047 -1.115 2.129) 2.404 7.474 ( -2.883 -2.959 -1.110) 4.278 7.608 ( 8.492 -9.460 6.469) 14.263 8.256 ( -4.542 -10.792 -7.742) 14.037 8.511 ( 2.640 1.893 6.879) 7.607 8.979 ( -2.430 -3.353 -4.681) 6.250 9.178 ( 1.545 1.664 2.965) 3.734 9.245 ( 1.473 -5.177 4.820) 7.225 9.471 ( 0.298 -2.543 0.582) 2.626 9.699 ( -3.669 5.471 -5.632) 8.667 10.403 ( 0.650 5.758 3.832) 6.948 10.588 ( -1.026 -3.519 -1.927) 4.141 11.026 ( 1.997 -5.270 1.009) 5.725 11.188 ( -2.379 1.247 -1.120) 2.910 11.438 ( 0.178 0.798 1.475) 1.686 11.533 ( 1.695 4.725 -1.763) 5.320 12.024 ( 0.557 -6.640 11.922) 13.658 12.520 ( 5.834 -9.412 -4.129) 11.818 12.833 ( 3.261 1.946 0.782) 3.877 12.885 ( 8.210 3.334 -0.406) 8.870 13.041 ( -7.909 1.154 -0.248) 7.996 13.250 ( -5.333 2.101 -3.032) 6.485 13.370 ( 5.524 2.135 0.382) 5.935 13.756 ( -15.012 7.656 -7.762) 18.553 15.892 ( -0.772 0.273 6.764) 6.814 16.251 ( 0.121 0.422 -3.153) 3.184 ======================= Grid point 190 (88/160) ======================= q-point: ( 0.22 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 10.787 -0.000 0.680) 10.808 1.739 ( 9.224 -0.000 15.370) 17.925 1.921 ( 5.193 -0.000 -0.259) 5.200 2.204 ( -5.745 0.000 -3.479) 6.717 2.446 ( 5.310 -0.000 16.375) 17.214 2.619 ( 9.238 -0.000 -8.763) 12.733 2.856 ( 15.157 -0.000 -0.837) 15.180 2.870 ( 4.418 -0.000 -3.878) 5.878 3.165 ( -5.719 0.000 14.765) 15.834 3.210 ( 0.990 -0.000 4.253) 4.367 3.400 ( 0.365 -0.000 6.873) 6.883 3.543 ( -9.350 0.000 -0.864) 9.390 3.652 ( 1.754 -0.000 6.596) 6.826 3.913 ( -4.828 0.000 -2.122) 5.274 3.964 ( -5.833 0.000 5.041) 7.709 4.020 ( -6.148 0.000 6.256) 8.771 4.056 ( -6.493 0.000 -1.723) 6.718 4.344 ( 3.199 -0.000 -0.270) 3.211 4.546 ( -2.849 0.000 3.199) 4.284 4.656 ( 5.681 -0.000 -10.232) 11.703 5.031 ( 5.250 -0.000 -4.458) 6.888 5.048 ( -0.577 0.000 -9.258) 9.276 5.246 ( -4.209 0.000 -8.726) 9.689 5.549 ( -1.626 0.000 -6.248) 6.456 5.995 ( 2.575 -0.000 4.785) 5.434 6.139 ( -5.136 0.000 10.146) 11.372 6.241 ( -7.680 0.000 10.763) 13.222 6.649 ( -0.176 0.000 3.950) 3.954 6.720 ( 1.133 -0.000 0.110) 1.138 7.146 ( -0.258 0.000 1.773) 1.792 7.558 ( -1.644 0.000 -6.375) 6.583 7.599 ( -3.863 0.000 -19.165) 19.550 9.005 ( 1.680 -0.000 7.019) 7.217 9.047 ( -4.862 0.000 -2.168) 5.323 9.171 ( -3.790 0.000 7.197) 8.134 9.327 ( 0.283 -0.000 7.336) 7.342 9.575 ( 1.345 -0.000 -4.391) 4.593 9.611 ( 4.889 -0.000 4.985) 6.983 10.264 ( 3.607 -0.000 1.646) 3.965 10.608 ( -2.646 0.000 -5.681) 6.267 10.624 ( -2.459 0.000 -2.269) 3.346 11.221 ( 5.375 -0.000 -5.047) 7.373 11.646 ( 0.701 -0.000 -3.845) 3.908 11.670 ( 3.314 -0.000 0.501) 3.352 11.913 ( -0.897 0.000 13.441) 13.471 11.953 ( -1.862 0.000 8.053) 8.265 12.526 ( 2.472 -0.000 -2.735) 3.687 12.535 ( -1.784 0.000 -3.617) 4.033 13.160 ( 3.133 -0.000 2.376) 3.932 13.430 ( -0.248 0.000 -2.472) 2.484 14.134 ( 1.498 -0.000 10.258) 10.367 14.969 ( 1.351 -0.000 -18.130) 18.180 15.735 ( -0.384 0.000 6.861) 6.871 16.127 ( -0.460 0.000 -2.588) 2.629 ======================= Grid point 191 (89/160) ======================= q-point: ( 0.33 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 10.795 -1.445 -1.003) 10.937 1.824 ( -0.508 0.366 14.498) 14.511 1.984 ( 0.130 -2.060 -4.478) 4.931 2.090 ( -6.236 0.771 1.916) 6.570 2.507 ( 2.942 0.554 17.972) 18.219 2.728 ( 4.378 1.833 -12.266) 13.152 2.954 ( 1.325 -2.073 -0.004) 2.461 2.996 ( -2.382 1.082 3.404) 4.293 3.099 ( -8.219 1.106 4.507) 9.439 3.190 ( 11.011 -2.833 7.661) 13.709 3.406 ( -4.568 1.733 2.482) 5.480 3.431 ( 0.769 0.235 5.194) 5.256 3.636 ( -4.669 3.354 0.478) 5.769 3.790 ( -4.776 4.253 0.720) 6.435 3.859 ( -5.287 -1.583 1.408) 5.695 3.938 ( -4.238 -2.510 6.290) 7.989 4.077 ( 2.361 -4.629 2.701) 5.856 4.362 ( -2.829 -3.561 4.820) 6.627 4.523 ( 1.208 0.792 -0.856) 1.678 4.743 ( 4.927 0.937 -9.663) 10.887 4.990 ( 0.325 6.696 -7.283) 9.899 5.109 ( -1.820 -3.870 -2.096) 4.763 5.208 ( 0.883 -1.034 -12.771) 12.843 5.525 ( -0.673 0.262 -2.332) 2.441 6.010 ( -1.198 2.417 11.129) 11.451 6.050 ( -1.198 -1.413 11.603) 11.750 6.219 ( 1.295 0.007 -2.765) 3.054 6.664 ( 1.758 0.003 4.762) 5.077 6.779 ( 5.063 -0.556 0.130) 5.095 7.135 ( -0.987 -0.079 1.653) 1.927 7.509 ( -1.222 2.396 -9.018) 9.410 7.596 ( 0.488 -3.741 -16.135) 16.570 8.955 ( -4.024 1.939 -0.903) 4.557 9.023 ( 0.484 0.374 7.099) 7.126 9.105 ( -4.442 -1.116 5.832) 7.415 9.324 ( -1.890 -1.062 8.985) 9.243 9.569 ( -1.158 0.115 -4.672) 4.815 9.718 ( 5.369 -1.911 5.379) 7.837 10.352 ( 6.505 0.284 0.286) 6.517 10.545 ( -3.642 0.434 -5.798) 6.861 10.605 ( -0.516 -0.783 -2.688) 2.847 11.293 ( 3.845 1.549 -3.822) 5.638 11.615 ( -2.227 2.246 -1.996) 3.740 11.708 ( 0.653 -0.608 -0.104) 0.898 11.896 ( -1.261 1.556 10.534) 10.723 11.953 ( 0.313 -2.790 6.618) 7.189 12.535 ( 1.793 -0.066 -2.199) 2.838 12.600 ( 5.930 0.525 -4.640) 7.548 13.233 ( 5.567 0.677 3.030) 6.374 13.432 ( 0.407 -0.347 -2.450) 2.507 14.084 ( -7.086 0.148 8.440) 11.021 14.878 ( -11.399 -1.088 -13.671) 17.833 15.759 ( 2.834 0.254 6.346) 6.955 16.138 ( 1.774 0.053 -2.472) 3.043 ======================= Grid point 192 (90/160) ======================= q-point: (-0.56 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 4.946 3.644 -1.463) 6.315 1.732 ( -6.798 3.125 12.065) 14.197 1.892 ( -9.105 0.577 1.564) 9.256 2.039 ( -3.264 -2.803 0.756) 4.369 2.536 ( 0.156 2.542 15.169) 15.381 2.714 ( -4.440 0.943 -11.943) 12.776 2.884 ( -7.298 0.523 4.648) 8.668 2.934 ( -1.919 -3.781 7.662) 8.757 3.048 ( -0.821 0.746 -1.613) 1.958 3.294 ( -8.709 2.462 0.634) 9.072 3.357 ( -3.872 0.626 0.800) 4.003 3.442 ( 9.599 -2.871 5.936) 11.646 3.560 ( 3.050 5.310 3.617) 7.112 3.727 ( -1.332 -2.782 2.888) 4.225 3.824 ( -0.987 -3.149 0.997) 3.447 3.913 ( -1.489 0.724 8.513) 8.673 4.103 ( -2.664 -2.083 5.378) 6.353 4.404 ( 1.261 -7.749 1.688) 8.030 4.547 ( 2.165 1.067 -4.103) 4.760 4.788 ( 1.822 1.489 -8.676) 8.989 4.939 ( 1.496 6.314 -6.080) 8.892 5.074 ( -3.296 -0.416 -5.739) 6.631 5.255 ( 1.143 -2.711 -6.795) 7.405 5.531 ( 1.637 -0.201 -2.188) 2.740 6.006 ( 2.426 0.635 9.567) 9.890 6.058 ( 0.294 -0.320 9.223) 9.233 6.258 ( 3.091 -0.655 -0.282) 3.172 6.705 ( 3.206 0.651 5.195) 6.139 6.887 ( 7.210 0.279 -0.247) 7.220 7.118 ( -1.212 -0.312 1.235) 1.758 7.476 ( -0.978 0.402 -8.076) 8.145 7.670 ( 3.472 -4.911 -15.307) 16.446 8.871 ( -4.155 2.000 1.281) 4.786 9.022 ( -0.390 -0.207 7.413) 7.426 9.050 ( -4.541 -3.272 2.187) 6.009 9.291 ( -1.973 0.821 9.078) 9.326 9.540 ( -2.340 -0.517 -4.606) 5.192 9.812 ( 3.228 -1.610 4.590) 5.839 10.455 ( 5.672 2.832 -1.293) 6.470 10.497 ( -0.219 -0.657 -3.813) 3.875 10.622 ( 1.564 -1.307 -2.926) 3.566 11.312 ( -0.190 1.226 -1.743) 2.140 11.557 ( -0.723 3.052 -1.160) 3.344 11.699 ( -1.971 0.347 -0.914) 2.200 11.861 ( -0.796 1.607 9.093) 9.268 11.999 ( 0.767 -4.293 5.613) 7.108 12.590 ( 5.095 1.021 -0.449) 5.216 12.690 ( 5.588 1.506 -5.695) 8.119 13.310 ( 4.518 3.069 3.290) 6.376 13.455 ( 1.770 -0.654 -2.715) 3.306 13.920 ( -10.884 0.963 5.381) 12.180 14.635 ( -19.746 -5.323 -10.908) 23.178 15.814 ( 3.665 0.586 6.156) 7.188 16.177 ( 2.854 0.291 -2.533) 3.827 ======================= Grid point 193 (91/160) ======================= q-point: (-0.44 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -8.302 8.812 3.034) 12.482 1.568 ( -6.762 9.834 13.965) 18.370 1.775 ( -4.521 0.141 0.832) 4.600 1.992 ( -4.393 -1.989 1.387) 5.018 2.455 ( -6.446 1.424 9.930) 11.924 2.570 ( -11.162 1.049 -9.894) 14.952 2.787 ( -2.701 0.410 0.938) 2.888 2.900 ( -11.069 5.798 -2.355) 12.716 3.037 ( 6.013 -2.921 6.885) 9.596 3.131 ( -5.796 0.554 0.021) 5.823 3.347 ( 0.874 -1.216 10.989) 11.091 3.529 ( 2.335 2.171 8.090) 8.695 3.622 ( 1.606 -4.383 -1.811) 5.007 3.765 ( 0.893 1.868 2.918) 3.577 3.838 ( 0.635 -4.346 10.150) 11.060 3.957 ( 7.974 -2.189 1.993) 8.506 4.104 ( -2.328 -7.215 3.180) 8.221 4.474 ( 1.336 -0.098 -3.839) 4.066 4.575 ( 1.044 -1.116 -5.385) 5.598 4.785 ( -0.807 -0.763 -7.422) 7.505 4.911 ( 1.715 5.615 -3.104) 6.641 5.013 ( -3.401 1.102 -7.024) 7.881 5.289 ( 0.084 -2.705 -3.782) 4.650 5.575 ( 3.035 -0.070 -5.368) 6.167 6.012 ( 0.042 3.332 4.521) 5.616 6.112 ( 2.946 -3.231 8.193) 9.286 6.354 ( 6.351 -4.050 9.779) 12.343 6.754 ( 3.506 1.521 5.040) 6.325 7.010 ( 8.075 1.188 -0.820) 8.203 7.105 ( -0.752 -0.856 0.941) 1.478 7.463 ( -0.891 -1.237 -7.822) 7.969 7.793 ( 4.154 -7.066 -12.973) 15.345 8.765 ( -6.009 2.277 4.377) 7.775 9.001 ( -3.999 -2.396 -0.357) 4.676 9.040 ( -0.769 -4.173 5.285) 6.778 9.256 ( -0.229 2.715 8.145) 8.589 9.499 ( -3.169 -0.938 -3.828) 5.057 9.851 ( 0.390 0.002 1.353) 1.409 10.481 ( 2.279 0.163 -2.374) 3.294 10.549 ( 5.207 4.548 1.097) 7.000 10.694 ( 4.762 -2.714 -3.656) 6.588 11.270 ( -3.557 -0.249 -0.426) 3.591 11.539 ( 2.128 3.761 0.008) 4.321 11.640 ( -3.296 1.577 -1.551) 3.970 11.848 ( 0.109 0.254 8.962) 8.966 12.068 ( 1.864 -5.586 3.814) 7.016 12.683 ( 8.001 2.728 0.810) 8.492 12.755 ( 4.351 1.979 -4.783) 6.762 13.312 ( -1.018 2.759 4.002) 4.967 13.468 ( -1.621 0.308 -2.183) 2.736 13.734 ( -7.342 5.081 0.370) 8.936 14.338 ( -22.865 -9.829 -10.283) 26.929 15.866 ( 2.898 0.633 6.291) 6.956 16.221 ( 2.663 0.509 -2.772) 3.877 ======================= Grid point 194 (92/160) ======================= q-point: (-0.33 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -6.688 9.329 9.691) 15.023 1.359 ( -4.086 12.079 15.148) 19.801 1.676 ( -2.744 7.792 1.671) 8.429 1.959 ( -0.822 -1.862 1.520) 2.540 2.289 ( -13.182 2.080 -2.019) 13.497 2.368 ( -8.240 0.699 4.265) 9.305 2.646 ( -10.252 5.954 -7.901) 14.247 2.777 ( 0.936 0.202 -1.465) 1.750 3.027 ( -3.655 4.415 3.429) 6.679 3.158 ( 5.002 0.314 9.497) 10.739 3.372 ( 0.342 0.693 16.030) 16.049 3.597 ( 5.345 -4.781 6.636) 9.770 3.670 ( -0.621 -5.699 -2.802) 6.381 3.724 ( -0.978 1.744 6.079) 6.399 3.950 ( 1.468 -8.098 4.592) 9.424 4.121 ( 1.556 -7.549 -2.609) 8.137 4.180 ( 7.428 -3.729 5.262) 9.838 4.469 ( 1.399 4.130 -8.614) 9.655 4.576 ( -1.159 0.282 -7.152) 7.251 4.784 ( -1.700 -2.982 -5.451) 6.442 4.873 ( -0.359 5.171 0.432) 5.201 4.938 ( -2.884 2.277 -7.440) 8.297 5.315 ( -0.289 -3.301 -4.169) 5.326 5.620 ( 2.713 1.068 -7.503) 8.049 5.971 ( -0.744 3.500 5.338) 6.427 6.167 ( 0.962 -0.823 0.790) 1.493 6.552 ( 6.607 -10.441 19.202) 22.833 6.791 ( 2.734 2.063 4.263) 5.469 7.086 ( 0.911 0.556 0.189) 1.084 7.172 ( 8.190 -2.716 1.328) 8.730 7.466 ( -0.380 -1.986 -8.005) 8.256 7.926 ( 1.724 -9.835 -10.255) 14.313 8.639 ( -5.526 2.781 5.920) 8.563 8.954 ( -4.655 -3.438 -2.341) 6.242 9.080 ( 0.321 -4.263 4.742) 6.385 9.238 ( 1.625 3.410 6.892) 7.859 9.453 ( -3.034 -0.960 -2.178) 3.856 9.834 ( -1.314 1.422 -2.429) 3.106 10.525 ( 1.617 -0.860 -1.518) 2.379 10.575 ( 4.885 7.650 2.587) 9.438 10.814 ( 4.975 -3.976 -2.370) 6.795 11.218 ( -3.007 -1.324 -0.286) 3.298 11.515 ( -2.074 2.924 2.677) 4.474 11.603 ( 2.040 2.323 -2.744) 4.134 11.864 ( 1.081 -1.375 9.429) 9.590 12.178 ( 3.648 -7.609 0.752) 8.472 12.807 ( 5.064 2.457 -2.210) 6.047 12.813 ( 11.439 4.252 1.376) 12.281 13.220 ( -8.081 -0.065 2.744) 8.535 13.420 ( -0.779 2.649 -0.209) 2.769 13.532 ( -12.150 5.313 -3.206) 13.643 14.076 ( -16.567 -5.899 -11.084) 20.787 15.898 ( 1.338 0.563 6.450) 6.612 16.252 ( 1.643 0.600 -3.023) 3.493 ======================= Grid point 195 (93/160) ======================= q-point: (-0.22 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 3.183 11.167 12.980) 17.416 1.227 ( 1.587 12.060 16.610) 20.587 1.564 ( 1.953 11.721 3.833) 12.485 2.026 ( 5.269 -2.703 1.347) 6.073 2.059 ( -9.497 0.023 -4.696) 10.595 2.252 ( -3.640 2.661 15.195) 15.850 2.460 ( -5.097 4.471 -10.924) 12.857 2.783 ( -0.590 0.451 -4.235) 4.300 2.930 ( -0.769 6.926 2.996) 7.585 3.210 ( 1.641 0.175 9.104) 9.252 3.380 ( 2.334 1.369 17.059) 17.272 3.686 ( -0.731 -0.647 -6.697) 6.768 3.714 ( -1.398 -6.610 9.561) 11.708 3.794 ( 7.025 -6.801 6.770) 11.893 4.011 ( -3.331 -7.815 2.897) 8.976 4.178 ( -1.166 -5.505 -0.977) 5.711 4.353 ( 6.339 -3.547 1.555) 7.428 4.451 ( 0.718 3.166 -8.204) 8.823 4.550 ( -0.227 1.659 -9.179) 9.330 4.757 ( -2.982 0.464 -4.023) 5.029 4.804 ( -1.997 4.438 -0.248) 4.873 4.897 ( 0.836 1.152 -6.173) 6.335 5.339 ( -0.865 -3.718 -4.792) 6.126 5.640 ( 1.611 2.084 -8.484) 8.884 5.931 ( -0.412 2.708 5.671) 6.298 6.172 ( -0.139 0.534 -1.514) 1.611 6.706 ( -0.873 -8.393 15.413) 17.572 6.812 ( 1.225 0.356 3.966) 4.166 7.093 ( 0.334 -0.318 0.489) 0.672 7.346 ( 2.088 -8.032 6.260) 10.395 7.492 ( 1.834 -2.882 -7.035) 7.820 8.021 ( -3.342 -12.016 -9.197) 15.497 8.559 ( 0.967 3.035 6.306) 7.065 8.917 ( -3.221 -3.095 -2.745) 5.243 9.132 ( 0.860 -4.100 4.812) 6.380 9.252 ( 3.765 3.203 5.804) 7.623 9.431 ( -0.458 -1.665 -0.539) 1.809 9.778 ( -3.035 2.791 -4.688) 6.244 10.538 ( -1.052 -1.251 -1.602) 2.289 10.553 ( 1.429 8.970 2.934) 9.545 10.920 ( 1.948 -5.472 -0.295) 5.816 11.189 ( -2.443 -1.092 -0.725) 2.772 11.453 ( -2.167 0.988 2.339) 3.338 11.617 ( 1.896 3.408 -1.341) 4.124 11.917 ( 1.590 -3.779 10.173) 10.968 12.321 ( 1.092 -10.599 -2.752) 11.005 12.879 ( 5.244 2.661 1.188) 5.999 12.955 ( 1.262 3.617 -0.809) 3.915 13.068 ( -6.893 1.179 -0.211) 6.996 13.292 ( -1.386 2.231 0.784) 2.741 13.415 ( 3.549 2.461 -1.634) 4.617 13.882 ( -6.390 4.839 -10.552) 13.251 15.900 ( -0.539 0.580 6.548) 6.595 16.261 ( 0.099 0.595 -3.098) 3.157 ======================= Grid point 196 (94/160) ======================= q-point: (-0.11 0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 6.242 14.017 9.744) 18.177 1.196 ( 9.550 10.201 16.678) 21.758 1.562 ( 10.005 9.252 7.771) 15.687 1.964 ( -1.060 -1.614 -2.055) 2.819 2.126 ( 2.182 1.516 10.679) 11.004 2.288 ( 7.167 -0.963 1.204) 7.331 2.419 ( 6.183 -0.670 -6.632) 9.092 2.739 ( -3.495 0.233 -4.706) 5.867 2.874 ( 1.664 7.164 1.151) 7.444 3.236 ( 1.327 -1.256 9.145) 9.326 3.411 ( 1.320 1.820 15.777) 15.937 3.693 ( 0.858 -1.699 -6.506) 6.778 3.745 ( -2.324 -6.840 10.159) 12.466 3.957 ( 2.275 -6.392 5.557) 8.770 4.003 ( -3.204 -4.102 3.527) 6.287 4.193 ( -1.451 -2.645 0.383) 3.041 4.415 ( -2.839 0.988 -6.116) 6.815 4.445 ( 1.163 -2.043 -2.625) 3.524 4.518 ( -1.630 1.384 -5.478) 5.880 4.698 ( -2.864 2.927 -4.439) 6.040 4.745 ( 2.385 4.173 -2.518) 5.426 4.940 ( 4.293 -0.259 -7.077) 8.281 5.354 ( -1.540 -3.814 -4.386) 6.013 5.633 ( 0.319 2.231 -9.160) 9.434 5.911 ( 0.475 1.585 5.593) 5.832 6.162 ( -0.262 0.549 -2.690) 2.758 6.714 ( -4.244 -4.036 9.993) 11.583 6.809 ( -3.234 -2.001 4.685) 6.034 7.102 ( -0.308 -0.888 0.823) 1.249 7.301 ( -12.758 -3.110 9.191) 16.029 7.562 ( -0.306 -5.019 -3.324) 6.028 8.014 ( -10.057 -9.609 -11.609) 18.118 8.662 ( 10.946 -1.749 3.814) 11.722 8.908 ( -1.117 -2.932 0.095) 3.139 9.186 ( 1.015 -3.206 4.805) 5.865 9.312 ( 6.183 1.979 3.517) 7.383 9.478 ( 3.235 -2.426 0.254) 4.051 9.671 ( -5.220 4.658 -4.454) 8.294 10.449 ( -3.816 7.406 3.375) 8.989 10.528 ( -1.604 -2.228 -1.681) 3.219 10.976 ( -2.193 -4.979 0.096) 5.442 11.131 ( -4.739 0.659 -1.385) 4.981 11.438 ( 0.542 -0.885 1.226) 1.607 11.599 ( 1.105 4.469 -0.901) 4.691 11.972 ( -0.254 -4.175 10.523) 11.324 12.324 ( -12.692 -5.918 2.678) 14.257 12.688 ( -11.951 2.932 -0.853) 12.335 12.857 ( -4.599 5.038 -1.981) 7.103 13.069 ( 3.620 0.864 0.928) 3.835 13.468 ( 6.052 -0.306 3.879) 7.195 13.561 ( 15.507 1.959 -1.694) 15.722 13.885 ( 20.790 3.234 -15.490) 26.127 15.872 ( -2.109 0.679 6.599) 6.961 16.242 ( -1.549 0.519 -2.957) 3.378 ======================= Grid point 200 (95/160) ======================= q-point: (-0.67 0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 10.026 -0.000 -1.840) 10.193 1.754 ( -8.449 0.000 8.445) 11.946 1.920 ( -6.379 0.000 2.523) 6.859 2.000 ( -4.513 0.000 3.913) 5.974 2.567 ( 1.279 -0.000 16.445) 16.495 2.715 ( -6.397 0.000 -11.203) 12.901 2.888 ( -6.080 0.000 6.349) 8.791 2.897 ( -4.149 0.000 7.752) 8.793 3.059 ( 1.406 -0.000 -4.390) 4.609 3.335 ( -11.963 0.000 -3.177) 12.378 3.365 ( -1.283 0.000 2.551) 2.855 3.398 ( 10.838 -0.000 3.538) 11.401 3.627 ( 1.682 -0.000 8.454) 8.619 3.736 ( -5.032 0.000 -2.134) 5.466 3.762 ( -3.067 0.000 4.469) 5.420 3.859 ( -0.153 0.000 4.176) 4.178 4.198 ( 8.816 -0.000 3.234) 9.390 4.242 ( -6.986 0.000 9.381) 11.697 4.560 ( 2.200 -0.000 -3.379) 4.032 4.803 ( 1.460 -0.000 -9.507) 9.619 5.039 ( -2.644 0.000 -0.407) 2.676 5.044 ( 1.032 -0.000 -10.902) 10.951 5.220 ( 1.204 -0.000 -9.448) 9.525 5.529 ( 1.252 -0.000 -0.464) 1.336 6.004 ( 0.796 -0.000 14.619) 14.640 6.064 ( 1.106 -0.000 4.179) 4.323 6.250 ( 2.478 -0.000 -1.168) 2.740 6.712 ( 3.599 -0.000 5.487) 6.562 6.889 ( 7.627 -0.000 -0.161) 7.629 7.115 ( -1.241 0.000 0.871) 1.516 7.486 ( -2.268 0.000 -6.268) 6.665 7.614 ( 3.784 -0.000 -17.176) 17.588 8.899 ( -3.349 0.000 -1.933) 3.867 9.002 ( -5.708 0.000 9.281) 10.896 9.026 ( -1.832 0.000 3.065) 3.570 9.303 ( -0.317 0.000 10.049) 10.054 9.534 ( -2.783 0.000 -4.927) 5.659 9.795 ( 4.239 -0.000 4.726) 6.349 10.487 ( -2.521 0.000 -4.773) 5.398 10.488 ( 8.848 -0.000 -0.069) 8.848 10.609 ( 1.260 -0.000 -3.284) 3.517 11.322 ( -1.406 0.000 -1.038) 1.748 11.590 ( -0.884 0.000 -2.471) 2.624 11.702 ( -1.205 0.000 -0.214) 1.224 11.901 ( -0.496 0.000 12.102) 12.112 11.930 ( -0.384 0.000 1.794) 1.834 12.600 ( 5.759 -0.000 -0.268) 5.765 12.706 ( 5.659 -0.000 -5.881) 8.162 13.350 ( 6.233 -0.000 2.829) 6.845 13.440 ( 0.828 -0.000 -2.010) 2.174 13.931 ( -9.610 0.000 4.928) 10.800 14.582 ( -21.560 0.000 -9.881) 23.716 15.820 ( 3.649 -0.000 5.961) 6.989 16.180 ( 2.931 -0.000 -2.478) 3.838 ======================= Grid point 202 (96/160) ======================= q-point: (-0.56 0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -11.024 4.099 3.691) 12.327 1.702 ( 2.958 2.162 3.588) 5.128 1.776 ( -6.326 1.718 6.808) 9.451 1.954 ( -2.588 -1.803 3.319) 4.579 2.489 ( -7.841 1.681 10.822) 13.469 2.565 ( -11.018 -1.025 -7.824) 13.552 2.799 ( -3.506 0.748 2.944) 4.639 2.938 ( 1.170 -1.457 7.493) 7.723 3.049 ( -0.688 2.965 -2.585) 3.993 3.132 ( -5.894 0.100 -3.325) 6.768 3.354 ( 0.597 1.057 7.381) 7.480 3.515 ( 1.396 -2.600 -0.326) 2.969 3.619 ( -1.875 3.932 -0.159) 4.359 3.701 ( 1.627 -3.951 9.070) 10.026 3.767 ( -1.398 -5.149 3.198) 6.221 3.946 ( 8.462 -1.013 5.123) 9.944 4.092 ( -4.241 5.643 9.576) 11.896 4.372 ( 4.230 -7.003 1.899) 8.398 4.589 ( 1.916 1.018 -6.628) 6.974 4.786 ( -2.542 0.356 -8.896) 9.259 4.993 ( -1.556 1.348 -1.779) 2.721 5.049 ( 0.733 2.874 -11.113) 11.502 5.238 ( -0.304 -2.129 -4.719) 5.186 5.570 ( 3.302 -0.256 -2.139) 3.942 6.051 ( 3.113 -1.134 10.526) 11.035 6.068 ( 0.090 0.821 5.708) 5.767 6.305 ( 3.340 -1.215 4.495) 5.730 6.777 ( 3.984 0.669 5.645) 6.941 7.019 ( 7.419 0.008 -0.872) 7.470 7.098 ( -0.734 -0.041 0.131) 0.746 7.450 ( -1.693 -0.190 -6.694) 6.908 7.693 ( 3.817 -2.842 -15.006) 15.743 8.822 ( -4.431 3.581 1.569) 5.910 8.917 ( -5.798 -4.780 2.102) 7.803 9.003 ( -1.272 -0.627 5.920) 6.088 9.306 ( 1.140 1.829 9.232) 9.480 9.481 ( -3.492 -0.731 -4.775) 5.961 9.847 ( 1.451 -0.209 2.035) 2.508 10.476 ( 1.357 -0.214 -1.775) 2.245 10.614 ( 4.544 1.179 2.095) 5.141 10.666 ( 7.435 0.057 -6.609) 9.948 11.262 ( -5.023 -0.326 0.274) 5.041 11.593 ( 1.864 1.584 -1.839) 3.060 11.663 ( -3.017 0.678 -0.383) 3.115 11.875 ( -0.204 2.581 8.054) 8.460 11.958 ( -0.043 -5.177 3.389) 6.188 12.720 ( 8.887 1.050 1.192) 9.028 12.783 ( 4.283 0.776 -4.738) 6.434 13.361 ( -4.466 1.831 4.240) 6.424 13.461 ( 0.226 -0.704 -1.511) 1.682 13.827 ( -0.573 3.637 -1.857) 4.124 14.186 ( -25.937 -5.045 -7.115) 27.364 15.875 ( 2.784 0.279 6.022) 6.641 16.228 ( 2.697 0.192 -2.668) 3.798 ======================= Grid point 203 (97/160) ======================= q-point: (-0.44 0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -6.949 5.377 7.562) 11.592 1.572 ( -4.290 9.149 13.489) 16.854 1.765 ( 0.318 1.698 0.807) 1.907 1.951 ( 1.766 0.548 1.061) 2.132 2.327 ( -11.914 1.698 -3.421) 12.511 2.372 ( -8.849 -0.124 4.615) 9.981 2.745 ( -11.420 3.903 -4.154) 12.764 2.781 ( -0.040 0.201 0.029) 0.207 3.091 ( -0.247 2.738 0.450) 2.786 3.180 ( 9.894 0.593 9.634) 13.823 3.374 ( 2.535 0.440 12.796) 13.052 3.533 ( -1.937 -4.225 1.268) 4.818 3.579 ( -0.623 -1.079 -1.427) 1.894 3.729 ( -4.140 -3.192 0.596) 5.262 3.813 ( 1.216 -4.554 11.195) 12.146 4.012 ( -1.224 -1.820 2.247) 3.140 4.139 ( 10.839 -0.956 6.811) 12.837 4.458 ( -0.934 -4.324 -1.073) 4.552 4.606 ( 2.272 2.355 -9.739) 10.274 4.742 ( -1.876 -1.265 -6.940) 7.300 4.944 ( -2.675 1.483 -3.311) 4.508 5.015 ( 0.447 5.705 -8.378) 10.146 5.250 ( -1.145 -3.315 -3.024) 4.631 5.630 ( 3.238 0.112 -5.396) 6.294 6.036 ( -0.896 2.817 5.064) 5.864 6.133 ( 2.650 -2.423 6.133) 7.107 6.394 ( 3.343 -5.312 15.166) 16.413 6.827 ( 2.882 1.492 5.209) 6.138 7.090 ( -0.236 -0.466 0.042) 0.523 7.138 ( 5.929 -0.700 -1.601) 6.181 7.435 ( -0.621 -1.132 -7.302) 7.416 7.777 ( 1.238 -5.389 -13.043) 14.167 8.704 ( -4.505 3.791 4.578) 7.458 8.881 ( -4.107 -4.051 -1.408) 5.938 9.010 ( 0.132 -2.706 5.816) 6.417 9.306 ( 1.694 3.199 7.442) 8.276 9.434 ( -2.936 -1.067 -3.220) 4.486 9.849 ( -0.880 0.320 -1.255) 1.566 10.518 ( 2.388 0.001 0.227) 2.399 10.665 ( 3.270 0.378 2.193) 3.955 10.794 ( 7.550 2.648 -6.197) 10.120 11.187 ( -4.219 -1.583 0.188) 4.510 11.571 ( -3.680 2.664 1.786) 4.882 11.633 ( 2.069 0.889 -2.152) 3.115 11.861 ( 0.509 1.006 7.011) 7.101 12.026 ( 0.837 -7.474 1.735) 7.718 12.845 ( 4.951 1.484 -1.861) 5.494 12.882 ( 12.087 2.476 1.362) 12.413 13.219 ( -9.311 -0.020 3.407) 9.915 13.460 ( 0.534 1.469 -1.664) 2.283 13.632 ( -19.631 4.665 -2.443) 20.325 13.973 ( -4.156 -4.547 -8.116) 10.189 15.908 ( 1.308 0.427 6.146) 6.298 16.262 ( 1.614 0.370 -2.899) 3.338 ======================= Grid point 204 (98/160) ======================= q-point: (-0.33 0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 4.818 8.104 10.056) 13.784 1.454 ( 1.694 10.773 14.341) 18.016 1.745 ( 2.258 5.833 1.921) 6.543 2.008 ( 6.370 1.538 2.547) 7.031 2.081 ( -11.939 2.070 -8.541) 14.825 2.284 ( -2.741 0.656 11.059) 11.412 2.532 ( -8.329 2.889 -6.988) 11.250 2.789 ( -0.610 0.103 -1.176) 1.329 3.059 ( 1.683 5.528 2.540) 6.312 3.270 ( 3.654 5.786 10.137) 12.230 3.413 ( 2.734 1.916 16.608) 16.940 3.564 ( -1.067 -7.370 1.975) 7.704 3.632 ( -0.627 -5.898 -1.567) 6.135 3.687 ( 0.200 -3.711 0.991) 3.846 3.867 ( -0.991 -5.823 8.658) 10.481 4.053 ( -0.068 -6.620 -2.075) 6.938 4.307 ( 6.038 -1.069 4.184) 7.423 4.451 ( -1.883 -3.062 -0.657) 3.654 4.608 ( 0.945 3.601 -11.335) 11.930 4.744 ( -0.221 -1.230 -4.936) 5.092 4.891 ( -0.165 2.397 -5.984) 6.448 4.950 ( -1.093 5.862 -4.266) 7.332 5.264 ( -1.434 -4.031 -4.008) 5.863 5.666 ( 1.556 0.745 -7.505) 7.701 5.990 ( -0.973 3.121 5.550) 6.441 6.175 ( 0.597 -0.433 0.830) 1.111 6.508 ( -0.106 -9.807 22.237) 24.304 6.843 ( 0.782 1.933 4.473) 4.935 7.092 ( 0.196 -0.080 -0.402) 0.455 7.232 ( 1.876 -3.877 0.385) 4.325 7.448 ( 0.659 -1.837 -7.649) 7.894 7.825 ( -2.996 -7.931 -12.093) 14.769 8.622 ( -0.565 3.258 5.329) 6.271 8.862 ( -1.501 -2.465 -1.472) 3.240 9.055 ( 1.112 -3.767 5.201) 6.518 9.315 ( 3.034 3.029 6.043) 7.409 9.406 ( -1.068 -0.922 -1.398) 1.987 9.814 ( -2.592 1.076 -3.159) 4.226 10.531 ( -0.764 0.416 -0.385) 0.951 10.708 ( 3.055 4.065 3.347) 6.088 10.846 ( 0.953 0.208 -5.046) 5.139 11.155 ( -2.246 -2.156 -0.174) 3.118 11.478 ( -3.961 1.536 2.640) 5.001 11.663 ( 2.284 1.554 -1.116) 2.979 11.876 ( 1.247 -0.708 6.990) 7.135 12.125 ( 0.475 -9.395 -0.529) 9.421 12.929 ( 6.483 2.301 1.456) 7.032 13.018 ( -1.987 2.766 -0.971) 3.541 13.081 ( -5.866 0.332 0.269) 5.882 13.330 ( -0.844 1.586 0.804) 1.968 13.460 ( 1.945 2.069 -1.228) 3.093 13.945 ( -1.714 1.998 -9.559) 9.915 15.912 ( -0.363 0.588 6.244) 6.283 16.272 ( 0.059 0.478 -2.993) 3.032 ======================= Grid point 205 (99/160) ======================= q-point: (-0.22 0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 11.635 12.581 5.856) 18.109 1.415 ( 6.473 11.925 14.694) 20.001 1.738 ( 6.006 8.310 3.846) 10.951 1.947 ( -1.625 -0.490 -6.289) 6.514 2.133 ( 7.171 0.285 9.235) 11.696 2.283 ( 4.983 0.612 10.013) 11.201 2.422 ( -2.207 0.095 -9.445) 9.700 2.745 ( -3.790 0.548 -2.252) 4.443 3.045 ( 4.153 9.028 3.816) 10.645 3.241 ( 0.106 2.775 8.703) 9.135 3.447 ( 1.936 1.959 14.544) 14.802 3.604 ( -3.115 -7.645 6.248) 10.353 3.622 ( -2.897 -5.230 -5.940) 8.427 3.827 ( 4.634 -6.905 3.602) 9.063 3.910 ( 0.419 -4.738 5.914) 7.590 4.106 ( -0.942 -5.644 -3.034) 6.477 4.348 ( -1.796 -3.754 1.930) 4.587 4.487 ( 2.435 0.715 1.418) 2.907 4.544 ( -4.396 2.163 -8.388) 9.714 4.737 ( -0.993 0.920 -5.156) 5.331 4.861 ( 0.654 7.240 -3.044) 7.881 4.933 ( 4.291 -0.077 -9.328) 10.268 5.276 ( -1.875 -4.261 -4.256) 6.308 5.665 ( -0.319 1.094 -8.563) 8.638 5.952 ( -0.275 2.495 5.683) 6.213 6.173 ( -0.414 0.537 -1.187) 1.367 6.558 ( -6.076 -9.984 21.904) 24.827 6.817 ( -1.854 1.763 3.963) 4.717 7.092 ( -0.665 -0.181 -0.965) 1.186 7.238 ( -5.838 -3.145 4.364) 7.938 7.487 ( 1.155 -2.772 -7.036) 7.650 7.824 ( -6.497 -9.134 -13.211) 17.325 8.643 ( 4.756 -0.126 5.057) 6.943 8.880 ( 1.807 -0.618 -0.550) 1.988 9.116 ( 1.509 -3.676 5.655) 6.912 9.358 ( 5.067 2.307 5.180) 7.605 9.430 ( 2.477 -2.095 -0.629) 3.305 9.737 ( -4.422 2.255 -3.542) 6.098 10.492 ( -3.141 0.224 -1.353) 3.427 10.643 ( -2.555 10.017 1.671) 10.472 10.866 ( -1.460 -5.944 -1.358) 6.270 11.125 ( -3.548 -1.062 -0.856) 3.801 11.427 ( -1.126 -0.170 2.572) 2.813 11.671 ( 1.397 2.945 -0.676) 3.329 11.913 ( 1.028 -2.007 7.442) 7.776 12.187 ( -3.918 -7.573 1.034) 8.590 12.756 ( -13.537 3.626 -0.688) 14.031 12.939 ( -3.839 3.203 -2.538) 5.607 13.092 ( 5.466 1.648 2.732) 6.329 13.468 ( 4.974 0.179 4.617) 6.789 13.603 ( 18.213 2.220 -4.523) 18.897 13.928 ( 7.506 1.261 -11.196) 13.538 15.888 ( -1.835 0.832 6.319) 6.632 16.253 ( -1.595 0.532 -2.880) 3.336 ======================= Grid point 206 (100/160) ======================= q-point: (-0.11 0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 3.276 15.765 4.770) 16.793 1.515 ( 14.424 9.987 11.124) 20.773 1.821 ( 10.383 6.220 4.830) 13.032 2.006 ( 7.235 -0.724 -2.614) 7.727 2.228 ( 6.940 1.806 13.538) 15.320 2.376 ( 3.474 -0.243 -8.007) 8.731 2.534 ( 11.502 -5.371 3.336) 13.125 2.675 ( -3.304 -0.976 -0.837) 3.545 3.006 ( 2.681 10.256 3.700) 11.227 3.269 ( 3.789 -0.882 6.749) 7.790 3.425 ( -2.484 1.183 10.862) 11.205 3.595 ( -5.564 -5.455 2.913) 8.319 3.650 ( -2.041 -7.170 1.903) 7.694 3.923 ( 1.869 -0.976 3.376) 3.980 3.984 ( 2.542 -4.280 3.445) 6.054 4.125 ( -2.739 -4.444 -1.787) 5.517 4.344 ( -2.740 -1.709 2.642) 4.173 4.441 ( -2.646 1.737 -5.056) 5.965 4.502 ( -0.812 0.157 -1.665) 1.859 4.681 ( -3.008 2.534 -3.453) 5.234 4.833 ( 2.006 2.714 -5.281) 6.267 5.024 ( 6.285 0.993 -10.828) 12.559 5.280 ( -2.488 -4.247 -3.723) 6.171 5.634 ( -1.770 1.172 -9.008) 9.255 5.938 ( 0.714 1.329 5.501) 5.705 6.160 ( -0.392 0.364 -2.167) 2.232 6.506 ( -11.275 -9.068 21.873) 26.225 6.753 ( -3.506 1.634 3.738) 5.379 7.025 ( -8.638 1.176 1.210) 8.801 7.156 ( -2.113 0.504 4.406) 4.913 7.522 ( -0.534 -2.923 -6.933) 7.543 7.778 ( -7.137 -6.354 -15.838) 18.498 8.762 ( 4.751 -5.562 3.968) 8.322 8.927 ( 4.006 1.446 2.352) 4.865 9.173 ( 0.993 -3.176 6.644) 7.431 9.433 ( 5.000 1.269 1.204) 5.297 9.520 ( 3.929 -2.622 1.550) 4.971 9.633 ( -2.999 4.232 -2.631) 5.815 10.406 ( -5.642 3.703 -0.168) 6.751 10.514 ( -1.791 2.815 -0.203) 3.343 10.877 ( -3.838 -3.138 -1.071) 5.072 11.069 ( -2.501 -0.204 -2.287) 3.395 11.445 ( 1.773 -2.027 1.624) 3.145 11.665 ( 1.993 3.750 -0.539) 4.280 11.945 ( 0.166 -1.988 8.152) 8.392 12.129 ( -6.735 -0.582 6.628) 9.467 12.575 ( -5.243 1.679 -1.787) 5.788 12.809 ( -6.326 4.573 -4.504) 9.012 13.135 ( 1.944 2.282 2.982) 4.228 13.502 ( -1.004 0.911 -1.662) 2.145 13.809 ( 12.724 1.209 6.407) 14.298 14.295 ( 26.085 -5.757 -17.044) 31.688 15.840 ( -2.821 1.030 6.349) 7.023 16.210 ( -2.703 0.503 -2.707) 3.859 ======================= Grid point 211 (101/160) ======================= q-point: (-0.56 0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -7.320 0.000 7.336) 10.363 1.671 ( -5.295 0.000 12.176) 13.278 1.775 ( 1.295 -0.000 1.326) 1.853 1.957 ( 4.269 -0.000 -0.200) 4.274 2.349 ( -13.264 0.000 -8.721) 15.874 2.366 ( -7.000 0.000 11.514) 13.475 2.777 ( 0.249 -0.000 2.140) 2.155 2.791 ( -12.954 0.000 -4.080) 13.581 3.119 ( 1.805 -0.000 -0.065) 1.806 3.186 ( 11.572 -0.000 8.894) 14.595 3.387 ( 2.435 -0.000 10.844) 11.114 3.474 ( -2.953 0.000 -5.234) 6.010 3.584 ( -4.075 0.000 -1.741) 4.432 3.673 ( -1.720 0.000 4.614) 4.924 3.761 ( 2.326 -0.000 8.501) 8.813 4.024 ( -5.296 0.000 9.287) 10.691 4.132 ( 11.323 -0.000 8.147) 13.950 4.395 ( 0.756 -0.000 -2.484) 2.596 4.632 ( 2.682 -0.000 -8.542) 8.953 4.730 ( -2.776 0.000 -6.916) 7.452 4.958 ( -2.439 0.000 -4.730) 5.322 5.089 ( 1.297 -0.000 -11.803) 11.874 5.205 ( -1.991 0.000 -0.453) 2.042 5.630 ( 3.510 -0.000 -3.973) 5.301 6.066 ( -1.001 0.000 4.971) 5.071 6.103 ( 3.306 -0.000 9.397) 9.962 6.345 ( 1.915 -0.000 11.515) 11.674 6.842 ( 2.982 -0.000 5.671) 6.408 7.081 ( 0.197 -0.000 -0.083) 0.214 7.134 ( 4.593 -0.000 -2.262) 5.120 7.424 ( -0.854 0.000 -6.832) 6.885 7.724 ( 1.282 -0.000 -14.329) 14.386 8.764 ( -6.320 0.000 4.813) 7.944 8.817 ( -1.081 0.000 -1.571) 1.907 8.983 ( -0.509 0.000 5.904) 5.925 9.343 ( 1.588 -0.000 9.325) 9.459 9.418 ( -2.929 0.000 -5.195) 5.963 9.852 ( -0.714 0.000 -0.865) 1.122 10.519 ( 3.016 -0.000 1.789) 3.507 10.655 ( 1.769 -0.000 -0.807) 1.944 10.835 ( 9.581 -0.000 -5.839) 11.220 11.169 ( -4.982 0.000 0.245) 4.988 11.602 ( -4.654 0.000 0.716) 4.709 11.640 ( 2.577 -0.000 -1.609) 3.038 11.909 ( 1.106 -0.000 9.765) 9.827 11.910 ( -0.845 0.000 -0.743) 1.125 12.860 ( 4.944 -0.000 -1.837) 5.274 12.906 ( 12.210 -0.000 1.483) 12.300 13.219 ( -9.882 0.000 3.635) 10.530 13.475 ( 0.923 -0.000 -2.045) 2.243 13.686 ( -27.273 0.000 -2.424) 27.380 13.921 ( 5.098 -0.000 -7.076) 8.722 15.912 ( 1.289 -0.000 6.024) 6.160 16.266 ( 1.601 -0.000 -2.847) 3.266 ======================= Grid point 213 (102/160) ======================= q-point: (-0.44 0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 5.229 2.647 9.810) 11.428 1.611 ( 1.094 4.619 11.589) 12.524 1.794 ( 2.603 0.523 3.676) 4.535 2.060 ( 7.891 2.195 -2.562) 8.582 2.125 ( -11.452 1.779 -8.504) 14.375 2.284 ( -2.739 -0.387 11.630) 11.954 2.573 ( -11.393 1.229 -3.619) 12.017 2.785 ( -0.465 -0.407 2.160) 2.247 3.145 ( 2.912 3.085 -0.579) 4.282 3.369 ( 8.950 3.135 11.752) 15.101 3.433 ( 1.167 -1.736 5.300) 5.698 3.461 ( 0.785 -1.207 6.409) 6.569 3.527 ( -2.918 -3.642 -3.507) 5.838 3.634 ( -3.189 -1.368 1.607) 3.824 3.804 ( 1.005 -1.329 8.456) 8.618 3.957 ( -2.523 -2.510 6.233) 7.178 4.307 ( 6.923 0.898 5.317) 8.775 4.374 ( -2.642 -3.777 -3.351) 5.699 4.659 ( 0.645 1.486 -8.392) 8.547 4.721 ( 0.822 -0.882 -4.307) 4.473 4.920 ( -0.563 0.913 -8.740) 8.806 5.070 ( -0.246 5.186 -7.879) 9.436 5.186 ( -2.192 -3.721 -1.137) 4.466 5.673 ( 1.612 0.150 -6.570) 6.766 6.037 ( -1.486 1.416 5.283) 5.668 6.157 ( 1.829 -1.039 4.968) 5.395 6.376 ( -0.577 -3.387 19.887) 20.181 6.873 ( 0.833 0.896 5.458) 5.593 7.086 ( 0.294 -0.349 -0.362) 0.583 7.188 ( 1.119 -0.921 -2.267) 2.691 7.423 ( 0.483 -0.705 -7.439) 7.488 7.721 ( -2.882 -2.717 -14.224) 14.765 8.674 ( -2.750 1.686 4.356) 5.421 8.827 ( 1.249 -0.975 -0.892) 1.818 8.997 ( 0.942 -1.861 5.785) 6.150 9.362 ( 1.831 1.708 6.751) 7.200 9.391 ( -0.727 -0.770 -2.381) 2.606 9.825 ( -2.342 0.219 -2.317) 3.302 10.546 ( -0.003 0.785 2.001) 2.149 10.691 ( 1.587 -1.985 -0.559) 2.602 10.931 ( 2.963 4.379 -5.733) 7.799 11.114 ( -2.354 -1.789 -0.396) 2.984 11.507 ( -5.431 1.068 2.220) 5.964 11.682 ( 2.617 0.466 -1.178) 2.908 11.883 ( 0.212 1.394 2.845) 3.176 11.973 ( 1.355 -5.643 4.426) 7.299 12.961 ( 7.184 0.902 1.582) 7.411 13.056 ( -3.306 1.038 -1.059) 3.623 13.084 ( -5.388 0.039 0.843) 5.453 13.350 ( -0.844 0.511 0.197) 1.006 13.489 ( 0.972 0.815 -0.771) 1.484 13.968 ( 0.286 0.526 -8.458) 8.479 15.921 ( -0.271 0.246 6.041) 6.052 16.278 ( 0.026 0.178 -2.912) 2.917 ======================= Grid point 214 (103/160) ======================= q-point: (-0.33 0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 14.739 5.924 6.817) 17.285 1.623 ( 6.638 8.406 11.779) 15.921 1.866 ( 6.705 3.600 3.810) 8.511 1.945 ( -5.336 1.651 -9.665) 11.162 2.170 ( 8.257 3.281 6.242) 10.858 2.293 ( 3.072 -0.207 10.932) 11.358 2.406 ( -7.428 -1.569 -6.085) 9.730 2.756 ( -2.970 0.273 2.098) 3.646 3.170 ( 4.630 4.374 -0.560) 6.394 3.361 ( -2.185 7.412 12.791) 14.944 3.446 ( -5.167 -5.394 0.179) 7.472 3.488 ( 1.106 -1.854 5.145) 5.580 3.539 ( 1.377 -0.779 2.226) 2.731 3.702 ( 5.721 -5.581 2.542) 8.387 3.838 ( 1.953 -2.404 8.222) 8.786 3.989 ( -0.044 -6.075 0.436) 6.091 4.293 ( -2.884 -1.893 -1.342) 3.702 4.458 ( 3.158 -2.360 5.866) 7.068 4.595 ( -5.370 2.290 -6.957) 9.082 4.738 ( -0.156 -0.461 -4.553) 4.579 4.936 ( 1.909 1.037 -10.459) 10.682 5.007 ( 2.004 6.543 -5.630) 8.861 5.193 ( -1.860 -4.217 -3.554) 5.820 5.677 ( -0.663 0.251 -8.226) 8.257 5.997 ( -1.275 1.884 5.425) 5.883 6.178 ( 0.040 -0.135 0.827) 0.839 6.389 ( -4.530 -6.497 24.184) 25.448 6.853 ( -1.704 1.677 5.079) 5.614 7.090 ( -0.616 -0.160 -1.209) 1.366 7.187 ( -2.734 -1.899 0.478) 3.363 7.448 ( 1.304 -1.349 -7.822) 8.044 7.682 ( -5.313 -5.204 -15.165) 16.890 8.648 ( 0.884 0.446 4.513) 4.620 8.877 ( 4.248 0.323 -0.145) 4.263 9.048 ( 1.920 -3.107 5.755) 6.816 9.393 ( 3.460 1.015 2.339) 4.298 9.404 ( 1.866 -0.406 2.664) 3.277 9.764 ( -4.176 0.748 -2.437) 4.892 10.512 ( -2.122 1.589 -0.381) 2.678 10.744 ( 1.081 -3.936 0.054) 4.082 10.840 ( -6.212 7.248 -3.480) 10.161 11.098 ( -2.304 -1.643 -0.857) 2.957 11.429 ( -2.474 0.264 3.121) 3.991 11.714 ( 2.198 1.523 -0.937) 2.833 11.889 ( 0.731 -0.541 3.927) 4.031 12.052 ( 0.564 -5.912 3.468) 6.877 12.815 ( -13.637 2.268 -0.795) 13.847 12.977 ( -3.705 0.867 -2.614) 4.616 13.129 ( 8.355 1.780 4.098) 9.474 13.471 ( 1.996 0.154 3.962) 4.439 13.640 ( 21.649 1.432 -6.124) 22.544 13.941 ( -0.138 0.267 -7.680) 7.686 15.902 ( -1.614 0.569 6.072) 6.308 16.261 ( -1.638 0.315 -2.801) 3.260 ======================= Grid point 215 (104/160) ======================= q-point: (-0.22 0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 2.143 14.571 1.888) 14.848 1.705 ( 14.249 8.889 7.208) 18.275 1.896 ( 7.258 2.015 3.330) 8.236 2.018 ( 8.409 1.156 -5.273) 9.993 2.260 ( 4.528 1.648 18.665) 19.277 2.352 ( 2.181 -2.363 -6.010) 6.816 2.437 ( 8.796 -4.118 5.212) 11.023 2.693 ( -2.525 2.017 1.519) 3.571 3.193 ( 1.584 7.010 2.230) 7.525 3.269 ( 0.302 1.623 8.155) 8.320 3.394 ( -5.272 -3.807 3.098) 7.203 3.503 ( -3.289 -3.477 -0.865) 4.864 3.583 ( 3.095 0.602 7.191) 7.852 3.854 ( 5.988 -5.014 1.789) 8.013 3.925 ( 4.274 -2.604 4.734) 6.889 4.037 ( -1.135 -4.443 -0.795) 4.654 4.288 ( -1.482 -2.958 3.734) 4.989 4.443 ( -6.464 -2.000 -4.752) 8.268 4.514 ( -0.982 1.272 2.881) 3.299 4.709 ( -3.389 0.375 -5.025) 6.072 4.896 ( -1.230 3.380 -5.798) 6.823 5.066 ( 7.628 3.059 -12.415) 14.889 5.199 ( -1.960 -3.819 -2.717) 5.080 5.648 ( -2.113 0.285 -8.967) 9.217 5.966 ( -0.626 1.345 5.360) 5.562 6.170 ( -0.496 0.565 -0.796) 1.095 6.346 ( -8.806 -6.974 23.897) 26.406 6.791 ( -3.297 2.074 4.636) 6.055 7.039 ( -5.797 0.460 -1.813) 6.092 7.155 ( -1.513 -0.576 3.734) 4.070 7.477 ( 0.173 -1.538 -8.391) 8.533 7.655 ( -3.666 -6.010 -16.543) 17.978 8.691 ( 2.735 -2.089 4.529) 5.688 8.954 ( 5.182 1.244 1.109) 5.444 9.112 ( 1.675 -3.008 6.633) 7.473 9.450 ( 3.331 -0.122 -3.064) 4.528 9.475 ( 5.080 -1.139 8.012) 9.555 9.681 ( -3.574 1.174 -1.740) 4.145 10.455 ( -2.354 2.466 -2.980) 4.528 10.628 ( -8.857 6.293 -0.514) 10.877 10.795 ( 0.017 -4.073 -0.052) 4.074 11.065 ( -2.433 -0.365 -2.213) 3.309 11.417 ( 0.431 -0.843 2.955) 3.103 11.728 ( 2.040 2.750 -0.867) 3.532 11.913 ( 0.663 -1.325 5.240) 5.445 12.089 ( -1.621 -3.022 5.270) 6.287 12.619 ( -6.838 2.409 -1.255) 7.358 12.880 ( -5.955 2.608 -5.323) 8.402 13.194 ( 2.147 3.699 4.246) 6.026 13.499 ( -0.342 -1.181 -0.207) 1.247 13.850 ( 8.685 3.012 2.704) 9.582 14.188 ( 24.094 -5.073 -11.946) 27.367 15.860 ( -2.557 0.962 6.083) 6.669 16.219 ( -2.812 0.386 -2.625) 3.866 ======================= Grid point 216 (105/160) ======================= q-point: (-0.11 0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.613 12.720 1.645) 12.841 1.829 ( 10.121 8.818 7.987) 15.620 1.998 ( 4.410 3.119 1.256) 5.545 2.157 ( 9.104 -0.508 -6.035) 10.934 2.324 ( 2.875 -0.975 8.963) 9.463 2.455 ( 6.688 0.650 2.978) 7.350 2.626 ( 3.856 -4.953 5.052) 8.058 2.717 ( 11.868 -0.500 4.841) 12.827 3.124 ( 0.514 6.685 5.166) 8.464 3.300 ( -2.209 -3.255 0.632) 3.984 3.361 ( 0.095 -1.010 6.795) 6.870 3.457 ( -5.543 -3.162 0.535) 6.404 3.621 ( 2.622 1.760 8.411) 8.984 3.961 ( -2.151 2.868 4.514) 5.765 4.002 ( -2.036 -6.310 -4.481) 8.003 4.012 ( 1.776 -0.451 1.542) 2.395 4.290 ( -0.270 -4.170 4.503) 6.143 4.426 ( 1.073 -2.621 -3.106) 4.204 4.471 ( -2.955 -0.135 0.484) 2.997 4.621 ( -5.540 1.055 -4.626) 7.294 4.858 ( -0.363 1.481 -6.250) 6.433 5.157 ( 5.313 1.343 -14.234) 15.253 5.200 ( -0.989 -1.991 -0.847) 2.379 5.601 ( -2.665 0.606 -8.489) 8.918 5.952 ( -0.343 0.159 5.217) 5.230 6.154 ( -1.221 0.183 1.792) 2.176 6.249 ( -9.108 -5.261 19.643) 22.281 6.718 ( -2.749 1.923 4.310) 5.462 6.910 ( -6.718 2.244 -0.042) 7.083 7.149 ( -0.017 0.025 3.240) 3.240 7.477 ( -1.392 -1.509 -10.555) 10.753 7.666 ( -0.482 -3.478 -16.243) 16.619 8.769 ( 2.452 -4.193 4.813) 6.838 9.012 ( 3.034 1.816 2.951) 4.606 9.161 ( 0.807 -2.458 7.421) 7.859 9.476 ( -0.928 0.833 1.205) 1.734 9.544 ( 1.580 -0.495 -0.424) 1.709 9.682 ( 4.693 0.465 3.299) 5.755 10.366 ( -3.520 3.950 -3.600) 6.399 10.501 ( -1.463 0.922 -1.316) 2.173 10.802 ( -2.804 -0.910 -1.199) 3.183 11.040 ( -0.240 -1.031 -3.553) 3.707 11.455 ( 1.896 -2.457 2.417) 3.934 11.733 ( 1.942 3.099 -0.821) 3.749 11.932 ( -0.162 -1.222 6.596) 6.711 12.061 ( -2.468 1.050 7.899) 8.342 12.527 ( -2.203 1.348 -2.349) 3.491 12.729 ( -7.603 3.282 -4.982) 9.664 13.176 ( 0.246 2.386 3.508) 4.250 13.473 ( -2.408 -0.118 -2.449) 3.436 14.007 ( 9.464 -0.220 8.004) 12.397 14.632 ( 20.579 -4.932 -14.787) 25.816 15.802 ( -2.985 1.278 6.188) 6.989 16.166 ( -2.715 0.314 -2.559) 3.744 ======================= Grid point 222 (106/160) ======================= q-point: ( 0.56 -0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 15.116 -0.000 8.165) 17.180 1.708 ( 7.186 -0.000 9.871) 12.210 1.880 ( 6.981 -0.000 0.950) 7.046 1.990 ( -4.863 0.000 -6.332) 7.984 2.223 ( 8.851 -0.000 -1.376) 8.957 2.274 ( 1.856 -0.000 12.934) 13.066 2.387 ( -10.762 0.000 -1.246) 10.834 2.756 ( -2.444 0.000 4.657) 5.259 3.226 ( 4.239 -0.000 -0.359) 4.254 3.360 ( -5.483 0.000 -3.738) 6.636 3.450 ( -0.011 0.000 -2.832) 2.832 3.458 ( -4.700 0.000 14.245) 15.000 3.570 ( 7.092 -0.000 7.674) 10.449 3.634 ( 6.057 -0.000 3.176) 6.839 3.822 ( 1.439 -0.000 2.728) 3.084 3.911 ( -0.429 0.000 9.529) 9.539 4.275 ( -3.164 0.000 -5.305) 6.177 4.430 ( 3.518 -0.000 8.141) 8.869 4.619 ( -5.602 0.000 -5.908) 8.141 4.732 ( 0.205 -0.000 -4.374) 4.379 4.950 ( 2.794 -0.000 -12.275) 12.589 5.099 ( -0.412 0.000 -11.299) 11.306 5.124 ( -0.750 0.000 2.855) 2.952 5.679 ( -0.863 0.000 -8.279) 8.324 6.017 ( -1.767 0.000 5.288) 5.575 6.173 ( 0.496 -0.000 2.994) 3.035 6.326 ( -3.747 0.000 23.028) 23.331 6.871 ( -1.651 0.000 5.703) 5.937 7.087 ( -0.370 0.000 -1.016) 1.081 7.169 ( -2.271 0.000 -1.030) 2.493 7.435 ( 1.489 -0.000 -7.940) 8.078 7.631 ( -5.224 0.000 -16.020) 16.850 8.653 ( -0.314 0.000 4.008) 4.020 8.885 ( 5.132 -0.000 -0.080) 5.133 9.013 ( 1.958 -0.000 6.225) 6.526 9.394 ( 1.718 -0.000 -5.546) 5.806 9.410 ( 2.831 -0.000 10.611) 10.982 9.771 ( -4.136 0.000 -2.045) 4.614 10.534 ( -1.494 0.000 1.226) 1.932 10.693 ( -0.134 0.000 -3.136) 3.139 10.928 ( -6.294 0.000 -2.822) 6.898 11.074 ( -1.231 0.000 -1.382) 1.851 11.433 ( -3.153 0.000 3.236) 4.518 11.729 ( 2.664 -0.000 -1.236) 2.937 11.887 ( -0.091 0.000 0.655) 0.661 11.987 ( 2.646 -0.000 7.110) 7.587 12.838 ( -13.730 0.000 -0.837) 13.756 12.983 ( -3.536 0.000 -2.338) 4.239 13.148 ( 9.679 -0.000 4.410) 10.636 13.473 ( 0.494 -0.000 3.544) 3.578 13.654 ( 23.303 -0.000 -6.753) 24.261 13.943 ( -2.837 0.000 -6.299) 6.909 15.908 ( -1.527 0.000 5.975) 6.167 16.265 ( -1.656 0.000 -2.768) 3.225 ======================= Grid point 224 (107/160) ======================= q-point: (-0.33 0.56 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 7.746 6.333 -1.257) 10.084 1.829 ( 12.941 3.847 9.789) 16.676 1.928 ( 1.891 1.231 -5.753) 6.179 2.035 ( 9.142 0.991 -0.251) 9.199 2.249 ( -5.780 -3.175 5.079) 8.324 2.334 ( 7.768 1.693 9.429) 12.333 2.378 ( 7.035 -2.295 7.128) 10.275 2.721 ( -0.993 0.508 5.614) 5.724 3.254 ( -1.358 1.785 -3.368) 4.047 3.296 ( -3.792 -0.830 11.228) 11.880 3.341 ( -4.190 -1.207 -0.818) 4.436 3.484 ( 2.874 0.471 -4.261) 5.161 3.647 ( 4.434 5.404 6.027) 9.230 3.760 ( 4.966 -4.534 3.452) 7.558 3.879 ( 4.930 -1.765 3.096) 6.083 3.955 ( 2.615 -3.280 6.820) 8.007 4.254 ( -0.256 -0.515 0.584) 0.820 4.395 ( -9.064 -1.935 1.354) 9.367 4.536 ( -2.298 0.701 1.356) 2.759 4.709 ( -3.017 -0.132 -5.917) 6.643 4.952 ( -1.244 2.037 -8.117) 8.461 5.093 ( 0.517 -1.072 -10.994) 11.058 5.164 ( 4.446 0.680 -2.471) 5.132 5.648 ( -2.458 -0.174 -9.441) 9.757 5.985 ( -1.602 0.558 5.191) 5.462 6.175 ( -0.215 -0.097 0.741) 0.777 6.255 ( -6.613 -2.198 23.639) 24.645 6.823 ( -3.377 0.970 5.515) 6.539 7.045 ( -4.983 0.121 -2.514) 5.582 7.142 ( -0.660 -0.530 2.584) 2.719 7.463 ( 1.521 -0.021 -8.652) 8.785 7.564 ( -3.130 -2.866 -17.599) 18.103 8.669 ( 1.698 -0.453 4.155) 4.511 8.975 ( 5.579 0.896 0.878) 5.718 9.062 ( 2.401 -1.810 6.625) 7.275 9.436 ( 2.808 -0.482 -5.372) 6.080 9.475 ( 4.705 0.209 11.652) 12.567 9.691 ( -4.595 0.137 -1.216) 4.755 10.507 ( -0.453 2.320 -2.049) 3.129 10.659 ( -7.499 -2.179 -6.363) 10.073 10.789 ( -4.228 2.315 3.579) 6.003 11.057 ( -1.379 -0.378 -2.417) 2.808 11.408 ( -0.194 -0.187 3.464) 3.474 11.768 ( 2.489 1.196 -1.622) 3.203 11.894 ( 0.649 -0.512 3.022) 3.133 12.036 ( 1.391 -1.827 6.568) 6.958 12.654 ( -7.568 0.997 -1.024) 7.702 12.911 ( -5.069 0.693 -5.263) 7.340 13.261 ( 2.988 2.475 4.460) 5.912 13.468 ( -1.112 -1.482 0.561) 1.936 13.910 ( 3.678 2.387 0.043) 4.385 14.107 ( 25.828 -2.803 -8.795) 27.428 15.873 ( -2.353 0.395 5.910) 6.374 16.224 ( -2.893 0.137 -2.581) 3.879 ======================= Grid point 225 (108/160) ======================= q-point: (-0.22 0.56 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -4.543 10.715 -1.707) 11.763 1.960 ( 3.058 2.766 1.594) 4.421 2.039 ( 8.149 2.570 1.478) 8.671 2.151 ( 5.801 -0.414 -8.207) 10.059 2.280 ( 4.475 -3.017 13.140) 14.205 2.472 ( 8.414 1.105 7.664) 11.435 2.545 ( 9.211 -2.777 10.869) 14.515 2.739 ( 5.472 0.969 4.699) 7.278 3.161 ( -5.629 -0.090 5.130) 7.616 3.263 ( -0.668 -2.238 3.042) 3.836 3.357 ( 1.215 -0.468 -0.242) 1.324 3.476 ( -0.494 6.106 -2.094) 6.474 3.682 ( 5.360 3.621 6.654) 9.280 3.867 ( -0.340 -6.820 -1.017) 6.904 3.991 ( 4.258 -0.630 0.893) 4.396 4.021 ( 2.460 1.008 5.229) 5.866 4.194 ( -6.449 -4.043 2.178) 7.917 4.320 ( -3.094 -5.916 1.938) 6.952 4.491 ( -2.438 0.958 3.568) 4.426 4.640 ( -3.874 0.702 -7.539) 8.505 4.902 ( -1.388 2.456 -7.058) 7.601 5.108 ( -1.241 -3.368 -7.766) 8.556 5.241 ( 6.316 3.076 -6.780) 9.763 5.603 ( -2.725 -0.325 -9.507) 9.895 5.957 ( -1.371 0.299 5.070) 5.260 6.154 ( -6.324 -1.062 18.070) 19.174 6.176 ( -1.289 -1.365 3.745) 4.190 6.753 ( -3.191 1.497 5.004) 6.121 6.938 ( -6.258 0.831 -1.331) 6.452 7.146 ( 0.228 -0.298 3.491) 3.511 7.469 ( 0.332 0.794 -11.759) 11.791 7.588 ( 1.525 -4.264 -16.027) 16.654 8.715 ( 2.274 -1.594 4.676) 5.438 9.044 ( 3.416 1.336 1.841) 4.104 9.117 ( 1.714 -1.874 7.412) 7.835 9.479 ( 0.744 -0.521 -3.558) 3.673 9.546 ( 2.766 1.054 7.745) 8.291 9.659 ( 1.736 -2.190 2.531) 3.770 10.440 ( -5.281 3.536 -5.368) 8.319 10.533 ( -3.013 1.334 -2.153) 3.936 10.768 ( -0.619 -1.771 0.966) 2.110 11.033 ( -1.268 0.006 -3.625) 3.840 11.423 ( 1.092 -0.945 3.538) 3.821 11.787 ( 1.755 2.318 -2.142) 3.611 11.914 ( 0.681 -0.645 5.398) 5.479 12.060 ( -0.465 -0.872 7.297) 7.363 12.555 ( -3.017 1.251 -2.095) 3.880 12.780 ( -8.536 1.938 -6.155) 10.701 13.229 ( -1.534 2.839 4.033) 5.165 13.454 ( -2.449 -1.667 -1.626) 3.379 14.009 ( 7.987 0.355 6.320) 10.191 14.556 ( 22.982 -2.749 -11.774) 25.968 15.825 ( -2.735 0.939 5.851) 6.527 16.170 ( -2.957 0.149 -2.518) 3.887 ======================= Grid point 226 (109/160) ======================= q-point: (-0.11 -0.44 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -4.900 5.823 -1.093) 7.689 1.898 ( -7.694 -0.294 6.358) 9.985 2.107 ( 4.920 4.183 -1.394) 6.607 2.233 ( 0.742 0.555 -4.940) 5.026 2.386 ( 4.656 -0.804 16.656) 17.313 2.546 ( 3.983 1.607 -2.362) 4.902 2.742 ( 10.132 -2.665 5.131) 11.666 2.914 ( 11.763 -2.525 9.253) 15.178 3.121 ( 0.552 -0.748 4.446) 4.542 3.281 ( 0.667 0.854 2.625) 2.840 3.357 ( -3.161 0.664 1.890) 3.743 3.394 ( -0.020 4.141 0.393) 4.159 3.725 ( 3.798 5.254 9.085) 11.161 3.776 ( -14.153 -1.278 -1.218) 14.262 3.954 ( -2.467 -1.822 2.597) 4.019 4.085 ( 0.899 1.929 2.731) 3.462 4.272 ( 4.065 -6.258 2.918) 8.013 4.325 ( -2.903 -9.992 -1.680) 10.540 4.462 ( 0.701 0.489 0.313) 0.910 4.581 ( -0.711 3.300 -7.610) 8.325 4.862 ( -0.741 1.505 -6.225) 6.447 5.113 ( -1.683 -3.112 -5.209) 6.297 5.305 ( 4.967 3.568 -8.691) 10.627 5.559 ( -2.422 0.130 -7.675) 8.049 5.932 ( -1.575 -0.230 5.898) 6.109 6.075 ( -3.749 -1.528 19.436) 19.853 6.183 ( 0.766 -0.472 -1.299) 1.581 6.698 ( -1.684 1.382 4.588) 5.079 6.839 ( -3.738 1.210 -0.476) 3.958 7.152 ( 0.176 0.114 3.630) 3.636 7.471 ( 1.386 1.222 -12.257) 12.395 7.663 ( 3.462 -2.314 -15.851) 16.389 8.772 ( 1.712 -2.823 5.625) 6.522 9.058 ( 0.565 2.153 3.484) 4.135 9.161 ( 1.094 -1.335 6.913) 7.125 9.446 ( -3.363 1.216 1.718) 3.967 9.572 ( 1.467 0.531 -1.745) 2.340 9.755 ( 4.417 -2.240 8.012) 9.419 10.336 ( -3.153 0.318 -5.534) 6.377 10.512 ( 1.562 2.137 -3.547) 4.426 10.755 ( -2.529 0.387 -0.991) 2.744 11.035 ( 1.281 -2.167 -4.367) 5.041 11.459 ( 0.944 -2.170 3.076) 3.881 11.778 ( -0.148 2.285 -2.481) 3.376 11.921 ( -0.583 0.454 8.025) 8.059 12.047 ( -0.743 0.503 8.130) 8.180 12.525 ( 0.805 0.842 -3.119) 3.330 12.620 ( -7.193 1.106 -3.998) 8.304 13.194 ( -0.102 1.264 3.537) 3.758 13.429 ( -1.706 -1.181 -2.838) 3.516 14.109 ( 2.282 -0.340 8.470) 8.779 14.892 ( 13.721 -0.936 -14.175) 19.750 15.771 ( -2.137 1.287 6.229) 6.710 16.131 ( -1.308 -0.044 -2.600) 2.911 ======================= Grid point 233 (110/160) ======================= q-point: ( 0.67 -0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -8.771 0.000 -4.308) 9.772 1.946 ( -0.497 0.000 -1.242) 1.338 2.081 ( 11.684 -0.000 1.321) 11.758 2.142 ( 3.234 -0.000 -9.200) 9.752 2.249 ( 7.183 -0.000 15.436) 17.025 2.492 ( 9.138 -0.000 11.214) 14.466 2.511 ( 10.503 -0.000 12.138) 16.051 2.742 ( 3.167 -0.000 6.258) 7.014 3.184 ( -6.265 0.000 7.935) 10.111 3.219 ( -0.622 0.000 -1.630) 1.744 3.349 ( 1.602 -0.000 -0.607) 1.714 3.571 ( 5.393 -0.000 -7.065) 8.888 3.728 ( -1.542 0.000 2.183) 2.673 3.777 ( 4.536 -0.000 5.508) 7.135 3.975 ( 6.763 -0.000 1.740) 6.984 4.021 ( 5.491 -0.000 7.438) 9.246 4.165 ( -15.154 0.000 -0.700) 15.170 4.252 ( -1.671 0.000 5.559) 5.805 4.500 ( -2.417 0.000 4.219) 4.862 4.647 ( -3.030 0.000 -8.690) 9.204 4.932 ( -2.061 0.000 -7.414) 7.696 5.068 ( -0.794 0.000 -7.374) 7.416 5.275 ( 6.324 -0.000 -6.835) 9.312 5.597 ( -2.855 0.000 -10.046) 10.444 5.961 ( -1.575 0.000 4.877) 5.125 6.133 ( -6.509 0.000 21.941) 22.886 6.174 ( -0.184 0.000 0.130) 0.225 6.769 ( -3.399 0.000 5.322) 6.315 6.946 ( -6.098 0.000 -1.712) 6.333 7.142 ( 0.469 -0.000 3.365) 3.398 7.497 ( 2.068 -0.000 -8.778) 9.018 7.524 ( 1.139 -0.000 -19.322) 19.356 8.701 ( 2.132 -0.000 4.469) 4.952 9.059 ( 3.409 -0.000 1.499) 3.724 9.097 ( 2.408 -0.000 7.361) 7.745 9.471 ( 1.454 -0.000 -4.551) 4.778 9.567 ( 5.700 -0.000 13.413) 14.574 9.626 ( -2.570 0.000 -1.055) 2.778 10.484 ( -10.096 0.000 -5.362) 11.432 10.538 ( 2.102 -0.000 -4.056) 4.568 10.751 ( -1.659 0.000 2.729) 3.193 11.034 ( -1.213 0.000 -3.606) 3.805 11.415 ( 0.827 -0.000 3.861) 3.948 11.812 ( 1.744 -0.000 -3.299) 3.731 11.908 ( 1.211 -0.000 5.150) 5.291 12.047 ( 0.316 -0.000 7.662) 7.669 12.568 ( -3.323 0.000 -1.966) 3.861 12.800 ( -8.657 0.000 -6.609) 10.892 13.264 ( -2.918 0.000 4.007) 4.957 13.430 ( -1.876 0.000 -1.086) 2.168 14.014 ( 7.091 -0.000 5.577) 9.022 14.529 ( 24.059 -0.000 -10.684) 26.325 15.834 ( -2.586 0.000 5.715) 6.273 16.171 ( -3.066 0.000 -2.510) 3.962 ======================= Grid point 235 (111/160) ======================= q-point: (-0.22 -0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -12.256 2.920 -4.915) 13.524 1.867 ( -10.214 -1.797 5.875) 11.919 2.185 ( 4.880 3.142 -6.089) 8.412 2.222 ( 2.494 -1.196 -3.478) 4.443 2.374 ( 5.643 -0.321 21.532) 22.261 2.601 ( 4.494 3.380 0.512) 5.646 2.681 ( 5.859 -3.585 4.595) 8.264 2.871 ( 11.661 -1.337 10.113) 15.493 3.144 ( 3.902 2.208 3.710) 5.819 3.249 ( 1.712 -1.983 2.158) 3.394 3.354 ( -1.136 -0.178 2.421) 2.681 3.561 ( -0.481 9.239 -1.573) 9.385 3.720 ( -6.853 -4.435 -0.188) 8.165 3.833 ( 3.475 4.291 6.528) 8.550 3.914 ( -9.651 -1.431 -0.518) 9.770 4.090 ( -1.767 -3.911 6.229) 7.564 4.123 ( 7.030 -3.429 0.983) 7.884 4.208 ( -1.895 -2.596 3.680) 4.886 4.471 ( -0.564 0.255 1.950) 2.045 4.625 ( 0.994 1.234 -8.978) 9.117 4.888 ( -2.109 0.843 -6.838) 7.205 5.067 ( -0.312 -1.430 -5.335) 5.532 5.361 ( 4.930 1.833 -8.114) 9.669 5.553 ( -2.525 -0.506 -9.116) 9.473 5.935 ( -1.389 0.296 4.763) 4.971 6.053 ( -3.005 -0.680 19.877) 20.115 6.179 ( 0.692 -0.077 -0.752) 1.024 6.719 ( -2.059 0.657 4.929) 5.382 6.852 ( -4.411 0.299 -0.818) 4.496 7.152 ( 0.560 -0.002 3.828) 3.869 7.511 ( 2.223 2.542 -10.921) 11.432 7.604 ( 5.580 -3.131 -17.366) 18.508 8.738 ( 1.556 -0.818 5.558) 5.829 9.094 ( 1.471 1.161 2.300) 2.967 9.138 ( 1.758 -0.806 7.254) 7.508 9.467 ( -1.952 0.719 -1.440) 2.530 9.594 ( 0.823 1.758 -0.748) 2.081 9.686 ( 4.498 -3.721 11.220) 12.648 10.336 ( -6.600 -0.053 -4.602) 8.047 10.568 ( 2.490 2.520 -5.238) 6.324 10.739 ( -0.804 -1.388 0.892) 1.836 11.014 ( -0.918 -0.292 -4.642) 4.741 11.432 ( 0.607 -0.627 3.955) 4.050 11.812 ( -1.211 1.024 -4.180) 4.471 11.935 ( 1.885 0.733 7.528) 7.795 12.042 ( -1.286 -0.598 8.470) 8.588 12.540 ( 0.358 0.496 -2.977) 3.039 12.635 ( -9.073 0.396 -4.890) 10.314 13.217 ( -1.542 0.795 3.836) 4.210 13.405 ( -1.585 -0.926 -2.541) 3.134 14.106 ( 2.276 -0.069 8.038) 8.354 14.882 ( 16.800 -0.230 -13.114) 21.314 15.791 ( -2.136 0.638 5.715) 6.135 16.129 ( -1.593 -0.057 -2.633) 3.078 ======================= Grid point 236 (112/160) ======================= q-point: (-0.11 -0.33 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -11.024 -1.391 -3.029) 11.517 1.678 ( -14.381 -3.649 8.809) 17.255 2.149 ( -10.233 -1.112 3.333) 10.819 2.219 ( 2.654 6.464 -0.413) 7.000 2.466 ( 3.585 -1.592 12.614) 13.210 2.620 ( 1.859 2.087 -8.926) 9.353 2.760 ( -1.848 -5.343 -0.982) 5.738 3.103 ( 12.834 -0.151 11.166) 17.012 3.225 ( -0.818 3.330 5.569) 6.540 3.269 ( 2.988 -1.635 -0.031) 3.406 3.354 ( 2.409 0.852 8.259) 8.645 3.439 ( -3.044 7.461 0.581) 8.079 3.515 ( -13.229 -0.570 1.594) 13.336 3.778 ( -4.974 0.240 6.947) 8.548 3.921 ( 2.752 0.476 4.050) 4.920 4.023 ( -4.034 -0.162 3.021) 5.042 4.257 ( 2.829 -3.946 3.853) 6.198 4.318 ( 6.551 -5.934 -6.023) 10.696 4.482 ( 1.723 -0.759 -1.150) 2.206 4.628 ( 1.820 3.050 -7.757) 8.532 4.856 ( -0.746 -0.236 -4.894) 4.956 5.074 ( -0.475 -0.974 -4.537) 4.665 5.396 ( 1.983 3.349 -7.653) 8.586 5.522 ( -1.212 -0.875 -7.362) 7.512 5.917 ( -0.394 -0.103 4.703) 4.720 6.064 ( 3.267 0.073 16.708) 17.024 6.204 ( 2.379 -0.374 0.001) 2.408 6.691 ( -0.435 0.936 4.771) 4.881 6.804 ( -0.912 -0.391 -0.297) 1.036 7.157 ( -0.019 0.404 3.525) 3.548 7.521 ( 1.663 2.210 -10.033) 10.407 7.746 ( 8.982 -0.386 -16.518) 18.806 8.767 ( 0.104 -2.024 6.913) 7.204 9.096 ( 1.332 2.962 3.455) 4.741 9.168 ( 0.539 -0.502 5.885) 5.931 9.393 ( -4.714 1.963 0.801) 5.169 9.593 ( 0.049 0.812 -2.990) 3.098 9.788 ( 2.619 -3.518 9.974) 10.895 10.272 ( -2.252 -2.414 -4.921) 5.926 10.578 ( 2.356 3.137 -5.085) 6.422 10.726 ( -1.280 1.237 -0.312) 1.807 11.034 ( 1.936 -3.763 -4.720) 6.339 11.443 ( -0.840 -1.522 3.254) 3.689 11.752 ( -4.493 0.544 -3.074) 5.470 11.933 ( -0.405 3.137 9.888) 10.382 12.045 ( 0.951 -1.397 8.389) 8.557 12.525 ( -3.051 -0.708 -2.883) 4.257 12.568 ( 3.049 0.376 -3.466) 4.631 13.202 ( 0.255 0.146 3.355) 3.368 13.397 ( -0.508 -1.354 -3.585) 3.866 14.071 ( -6.908 -0.098 8.322) 10.816 15.059 ( 4.609 2.783 -16.193) 17.065 15.764 ( 0.176 0.804 6.546) 6.598 16.124 ( 0.884 -0.314 -2.796) 2.949 ======================= Grid point 244 (113/160) ======================= q-point: (-0.22 -0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -14.192 0.000 -5.090) 15.078 1.637 ( -15.211 0.000 9.444) 17.904 2.133 ( -10.289 0.000 4.468) 11.217 2.318 ( 6.664 -0.000 -8.733) 10.985 2.412 ( -1.449 0.000 19.604) 19.658 2.672 ( -1.417 0.000 -5.939) 6.106 2.685 ( 1.506 -0.000 -3.420) 3.737 3.101 ( 13.684 -0.000 11.726) 18.021 3.251 ( 0.685 -0.000 -1.617) 1.755 3.261 ( -1.078 0.000 3.246) 3.421 3.358 ( 5.694 -0.000 11.077) 12.455 3.500 ( -11.221 0.000 1.691) 11.347 3.572 ( -8.827 0.000 5.363) 10.329 3.725 ( -5.145 0.000 0.436) 5.164 3.980 ( 6.365 -0.000 -2.249) 6.751 3.985 ( -3.840 0.000 10.003) 10.715 4.203 ( 5.654 -0.000 4.306) 7.107 4.262 ( 5.954 -0.000 -3.564) 6.939 4.476 ( 0.853 -0.000 -0.865) 1.215 4.661 ( 1.893 -0.000 -7.971) 8.193 4.850 ( -2.303 0.000 -5.264) 5.746 5.066 ( 0.675 -0.000 -4.403) 4.455 5.438 ( 3.246 -0.000 -8.284) 8.897 5.504 ( -2.558 0.000 -7.645) 8.062 5.917 ( -1.079 0.000 4.088) 4.228 6.066 ( 4.492 -0.000 16.271) 16.879 6.200 ( 2.394 -0.000 0.771) 2.515 6.702 ( -0.363 0.000 5.106) 5.119 6.799 ( -1.935 0.000 -0.339) 1.964 7.161 ( 0.200 -0.000 3.612) 3.618 7.547 ( 0.882 -0.000 -9.181) 9.223 7.737 ( 11.599 -0.000 -17.298) 20.827 8.748 ( -0.207 0.000 7.113) 7.116 9.134 ( 2.560 -0.000 1.605) 3.021 9.156 ( 0.773 -0.000 7.027) 7.069 9.421 ( -4.314 0.000 -1.201) 4.478 9.604 ( -0.301 0.000 -3.607) 3.620 9.737 ( 3.010 -0.000 12.726) 13.077 10.247 ( -3.264 0.000 -3.956) 5.129 10.618 ( 1.386 -0.000 -6.171) 6.324 10.733 ( 1.215 -0.000 1.363) 1.826 10.997 ( -0.451 0.000 -5.418) 5.437 11.428 ( -0.917 0.000 3.781) 3.890 11.758 ( -5.349 0.000 -3.251) 6.259 11.989 ( 3.128 -0.000 8.066) 8.651 12.007 ( -2.171 0.000 9.815) 10.052 12.518 ( -3.858 0.000 -3.099) 4.948 12.572 ( 2.999 -0.000 -3.376) 4.516 13.205 ( -0.300 0.000 3.359) 3.372 13.382 ( -0.556 0.000 -3.580) 3.623 14.070 ( -6.886 0.000 8.385) 10.850 15.087 ( 6.892 -0.000 -16.375) 17.766 15.773 ( -0.156 0.000 6.138) 6.140 16.121 ( 0.768 -0.000 -2.861) 2.962 ======================= Grid point 245 (114/160) ======================= q-point: (-0.11 -0.22 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -11.613 -2.992 -1.476) 12.083 1.384 ( -16.007 -2.973 12.074) 20.269 1.903 ( -16.723 -1.237 5.751) 17.728 2.289 ( -4.672 6.436 6.533) 10.293 2.453 ( 1.645 -4.900 -0.055) 5.169 2.609 ( -5.117 0.129 -10.960) 12.097 2.665 ( -5.440 -1.576 0.185) 5.666 3.078 ( -14.603 -0.010 -0.483) 14.610 3.177 ( -8.327 -1.032 -1.117) 8.465 3.314 ( -1.504 4.180 12.419) 13.190 3.366 ( 1.918 -0.862 9.688) 9.914 3.407 ( 2.871 0.329 12.156) 12.495 3.565 ( 9.450 3.041 7.264) 12.301 3.687 ( -1.278 -3.213 -0.184) 3.462 3.973 ( 2.824 2.492 7.955) 8.802 4.075 ( 5.756 0.960 -5.819) 8.241 4.296 ( 3.941 0.181 3.251) 5.112 4.367 ( 3.886 -2.262 -5.335) 6.977 4.498 ( 1.344 -1.428 -3.152) 3.712 4.681 ( 1.934 1.532 -6.679) 7.120 4.826 ( -1.208 -2.196 -2.445) 3.501 5.067 ( -0.713 0.667 -5.330) 5.418 5.438 ( -0.468 3.509 -6.517) 7.416 5.499 ( 0.479 -2.484 -7.895) 8.290 5.904 ( -0.749 -0.510 3.956) 4.058 6.148 ( 2.839 0.340 3.248) 4.327 6.320 ( 13.871 0.875 13.442) 19.336 6.708 ( 1.541 1.091 5.730) 6.033 6.797 ( 1.329 -1.734 0.023) 2.184 7.158 ( -0.403 0.361 2.894) 2.944 7.549 ( 0.167 0.993 -9.116) 9.172 7.949 ( 13.664 1.789 -13.865) 19.548 8.732 ( -2.683 -1.429 8.430) 8.962 9.158 ( 1.243 1.701 4.892) 5.326 9.178 ( 1.539 1.627 1.834) 2.895 9.321 ( -5.744 1.337 -1.276) 6.034 9.586 ( -1.571 0.529 -2.903) 3.343 9.780 ( -0.103 -2.776 7.081) 7.607 10.234 ( 0.715 -1.943 -1.745) 2.708 10.616 ( -0.392 1.541 -5.369) 5.600 10.769 ( 4.434 2.578 1.801) 5.436 11.024 ( 2.021 -4.635 -4.580) 6.822 11.403 ( -2.464 -0.832 2.996) 3.967 11.655 ( -6.292 -0.425 -1.609) 6.509 11.960 ( -0.437 3.453 11.068) 11.603 12.059 ( 2.747 -2.473 9.102) 9.824 12.510 ( 2.256 -0.629 -2.535) 3.451 12.632 ( 3.878 0.085 -3.462) 5.199 13.209 ( 0.652 -0.295 3.033) 3.116 13.385 ( 0.465 -0.911 -4.459) 4.575 13.882 ( -15.016 -0.159 7.335) 16.712 15.072 ( -7.097 3.623 -20.706) 22.186 15.796 ( 2.645 0.194 6.876) 7.370 16.151 ( 2.463 -0.250 -3.036) 3.917 ======================= Grid point 254 (115/160) ======================= q-point: (-0.11 -0.11 0.29) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -6.860 0.000 4.749) 8.343 1.109 ( -14.324 0.000 15.212) 20.895 1.588 ( -18.866 0.000 6.669) 20.010 2.171 ( -9.557 0.000 10.551) 14.236 2.468 ( -8.977 0.000 -8.188) 12.150 2.479 ( -0.460 0.000 -14.015) 14.022 2.505 ( -12.245 0.000 13.461) 18.198 2.836 ( -11.119 0.000 -3.874) 11.774 3.009 ( -9.178 0.000 -3.208) 9.722 3.268 ( -2.332 0.000 12.671) 12.884 3.349 ( -1.836 0.000 14.120) 14.239 3.607 ( 12.915 -0.000 10.670) 16.752 3.640 ( -0.741 0.000 -1.478) 1.653 3.741 ( 7.146 -0.000 11.747) 13.750 4.073 ( 5.978 -0.000 3.475) 6.915 4.158 ( 3.901 -0.000 -9.550) 10.316 4.373 ( 3.207 -0.000 4.085) 5.194 4.405 ( 2.027 -0.000 -7.385) 7.658 4.501 ( 0.419 -0.000 -5.124) 5.141 4.725 ( 2.562 -0.000 -5.805) 6.345 4.785 ( -1.758 0.000 0.772) 1.920 5.033 ( -4.274 0.000 -7.151) 8.331 5.458 ( 0.985 -0.000 -7.039) 7.108 5.484 ( -0.254 0.000 -6.765) 6.770 5.890 ( -0.575 0.000 3.864) 3.906 6.167 ( 0.101 -0.000 -1.889) 1.892 6.629 ( 13.955 -0.000 8.999) 16.605 6.815 ( 2.336 -0.000 -0.618) 2.417 6.824 ( 16.950 -0.000 16.468) 23.632 7.150 ( -0.810 0.000 2.345) 2.481 7.548 ( -0.534 0.000 -8.846) 8.862 8.196 ( 13.314 -0.000 -10.017) 16.661 8.653 ( -5.783 0.000 9.396) 11.033 9.162 ( -0.338 0.000 5.215) 5.226 9.179 ( -6.600 0.000 -4.132) 7.787 9.287 ( 2.879 -0.000 -0.980) 3.041 9.552 ( -2.559 0.000 -1.586) 3.011 9.741 ( -2.712 0.000 1.033) 2.902 10.260 ( 3.200 -0.000 1.880) 3.711 10.620 ( 0.379 -0.000 -4.111) 4.128 10.915 ( 10.701 -0.000 4.034) 11.436 11.026 ( 2.071 -0.000 -3.561) 4.120 11.354 ( -2.363 0.000 2.724) 3.606 11.555 ( -4.793 0.000 -0.980) 4.892 12.005 ( 4.108 -0.000 12.834) 13.475 12.089 ( 2.129 -0.000 10.103) 10.325 12.581 ( 6.149 -0.000 -2.537) 6.652 12.692 ( 3.197 -0.000 -3.012) 4.392 13.223 ( 1.109 -0.000 2.792) 3.004 13.390 ( 0.592 -0.000 -5.435) 5.467 13.586 ( -19.080 0.000 5.209) 19.779 14.847 ( -22.224 0.000 -25.573) 33.881 15.848 ( 2.895 -0.000 6.909) 7.491 16.194 ( 2.641 -0.000 -3.204) 4.152 ======================= Grid point 255 (116/160) ======================= q-point: ( 0.00 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -5.223 0.000 14.259) 15.185 1.323 ( 11.949 -0.000 8.181) 14.481 1.376 ( -2.587 0.000 10.376) 10.694 1.776 ( -4.635 0.000 -18.784) 19.347 2.115 ( 5.491 -0.000 -0.297) 5.499 2.136 ( -6.035 0.000 -3.306) 6.881 2.519 ( -1.257 0.000 1.574) 2.014 2.603 ( 0.981 -0.000 -7.020) 7.088 3.076 ( -4.070 0.000 30.189) 30.462 3.449 ( 0.672 -0.000 8.431) 8.457 3.523 ( 1.171 -0.000 -7.867) 7.954 3.680 ( 0.054 -0.000 3.809) 3.809 3.846 ( 4.630 -0.000 -12.860) 13.668 4.032 ( -1.398 0.000 -8.699) 8.811 4.158 ( 4.464 -0.000 7.028) 8.326 4.248 ( -3.518 0.000 13.419) 13.873 4.290 ( 1.585 -0.000 -5.999) 6.205 4.440 ( 1.239 -0.000 -3.043) 3.285 4.502 ( -3.520 0.000 6.952) 7.793 4.689 ( 2.725 -0.000 -7.641) 8.112 4.709 ( -2.617 0.000 -0.914) 2.772 4.743 ( -2.062 0.000 -0.279) 2.081 5.326 ( -0.254 0.000 -4.327) 4.334 5.361 ( 1.539 -0.000 -6.856) 7.027 5.994 ( 0.643 -0.000 5.311) 5.350 6.087 ( -0.729 0.000 -3.616) 3.689 6.806 ( -0.144 0.000 2.522) 2.526 6.850 ( 0.374 -0.000 -1.737) 1.776 7.200 ( -0.528 0.000 5.468) 5.493 7.345 ( -0.127 0.000 -7.957) 7.958 7.966 ( 9.659 -0.000 11.556) 15.061 8.188 ( -9.291 0.000 -9.715) 13.443 8.663 ( -0.424 0.000 9.100) 9.110 8.855 ( 1.876 -0.000 -8.905) 9.101 9.236 ( -0.399 0.000 3.650) 3.672 9.297 ( 0.513 -0.000 -2.144) 2.205 9.524 ( 2.155 -0.000 0.082) 2.157 9.543 ( -3.407 0.000 -1.776) 3.842 10.445 ( 0.660 -0.000 5.148) 5.190 10.552 ( -0.758 0.000 -4.859) 4.918 11.126 ( 2.138 -0.000 1.398) 2.554 11.147 ( -2.523 0.000 -0.601) 2.593 11.442 ( 2.087 -0.000 0.455) 2.136 11.451 ( -0.742 0.000 -0.764) 1.066 12.325 ( -2.520 0.000 9.493) 9.822 12.498 ( 6.009 -0.000 -7.185) 9.366 12.825 ( 0.807 -0.000 0.809) 1.143 12.841 ( 3.754 -0.000 -0.606) 3.802 13.027 ( -4.801 0.000 1.029) 4.910 13.086 ( -1.758 0.000 -4.715) 5.032 13.454 ( 9.501 -0.000 5.620) 11.039 13.571 ( -13.170 0.000 -5.288) 14.192 16.034 ( -0.717 0.000 6.741) 6.779 16.160 ( 0.389 -0.000 -5.143) 5.157 ======================= Grid point 256 (117/160) ======================= q-point: ( 0.11 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.538 -4.100 9.940) 11.048 1.426 ( 5.887 -3.446 11.493) 13.365 1.561 ( 13.844 -2.121 5.718) 15.128 1.764 ( 3.218 -0.391 -13.333) 13.721 2.108 ( 3.063 -0.436 -4.346) 5.335 2.231 ( 6.103 -1.321 1.155) 6.350 2.546 ( 6.639 2.797 -0.184) 7.206 2.613 ( 0.232 -0.461 -4.930) 4.957 3.065 ( -0.518 -4.056 28.648) 28.939 3.465 ( 2.211 2.339 8.198) 8.807 3.538 ( -0.594 -1.419 -4.685) 4.931 3.717 ( 3.834 0.093 1.435) 4.095 3.922 ( 4.295 1.448 -9.258) 10.308 3.986 ( -3.648 -0.237 -9.070) 9.779 4.128 ( -5.635 4.512 -0.316) 7.226 4.168 ( -4.196 -0.921 1.927) 4.708 4.285 ( 1.292 5.024 2.105) 5.599 4.446 ( -4.147 -4.658 8.511) 10.551 4.499 ( 3.811 0.931 -4.458) 5.938 4.613 ( -5.301 0.283 2.522) 5.877 4.724 ( -0.288 -0.720 2.247) 2.377 4.786 ( 4.600 -0.486 -7.130) 8.499 5.312 ( -0.547 1.302 -3.331) 3.618 5.389 ( 0.774 -1.492 -8.171) 8.342 6.012 ( 0.986 -0.520 5.469) 5.582 6.081 ( -0.277 -0.717 -3.694) 3.773 6.794 ( -1.656 -0.796 2.397) 3.020 6.841 ( -1.923 -0.636 -1.470) 2.502 7.192 ( -0.214 0.620 5.385) 5.425 7.333 ( -1.064 0.504 -5.980) 6.095 7.878 ( -14.185 6.365 8.299) 17.624 7.907 ( -17.781 3.813 -7.160) 19.545 8.774 ( 10.923 0.389 5.778) 12.363 8.916 ( 5.017 2.615 -6.946) 8.958 9.247 ( 0.710 -1.955 2.881) 3.553 9.319 ( 2.443 0.152 -2.144) 3.254 9.502 ( -2.099 -1.279 -0.489) 2.506 9.565 ( 2.460 0.065 1.342) 2.803 10.443 ( -2.311 -2.104 5.154) 6.027 10.524 ( -1.922 0.452 -4.486) 4.901 11.044 ( -8.937 0.224 0.124) 8.941 11.115 ( -2.193 1.615 0.730) 2.820 11.446 ( 0.681 0.443 -1.321) 1.551 11.490 ( 2.231 -2.735 -0.665) 3.591 12.251 ( -3.569 3.080 6.850) 8.315 12.454 ( -7.930 4.853 -2.701) 9.681 12.639 ( -11.444 -1.229 0.241) 11.512 12.716 ( -8.541 -3.656 -1.614) 9.430 13.098 ( 4.777 -0.762 4.027) 6.294 13.383 ( 9.409 -0.511 -5.955) 11.146 13.542 ( 18.350 -1.885 -7.850) 20.047 13.709 ( 18.599 -0.356 9.123) 20.719 16.011 ( -2.187 -0.227 7.013) 7.350 16.152 ( -1.299 -0.215 -4.961) 5.133 ======================= Grid point 257 (118/160) ======================= q-point: ( 0.22 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.728 -8.251 4.768) 9.557 1.612 ( 9.981 -5.130 6.805) 13.124 1.806 ( 10.995 -2.995 5.109) 12.488 1.872 ( 8.739 -0.375 -6.537) 10.920 2.219 ( 8.295 0.625 -4.554) 9.484 2.357 ( 7.522 -4.022 2.414) 8.865 2.593 ( 0.887 0.198 -0.253) 0.943 2.723 ( 13.531 2.860 -1.128) 13.876 3.127 ( 0.873 -5.473 23.147) 23.801 3.472 ( 1.622 4.130 5.402) 6.991 3.528 ( -1.279 -0.696 1.823) 2.333 3.746 ( -1.010 3.245 1.613) 3.762 3.860 ( -7.385 4.032 -1.707) 8.585 3.967 ( -1.554 1.133 -7.693) 7.930 3.995 ( -0.026 1.392 -1.806) 2.280 4.156 ( -0.416 -2.716 -9.129) 9.534 4.241 ( 0.129 6.446 1.352) 6.588 4.413 ( -5.150 -5.405 7.734) 10.749 4.518 ( -2.335 0.055 4.610) 5.168 4.570 ( 0.903 -1.119 -6.670) 6.823 4.749 ( 2.228 -0.488 2.855) 3.655 4.838 ( 1.862 1.115 -7.002) 7.330 5.282 ( -1.310 1.541 -1.029) 2.269 5.403 ( -0.645 -1.306 -8.699) 8.820 6.037 ( 1.207 -0.562 4.966) 5.142 6.089 ( 0.119 -1.113 -3.214) 3.403 6.771 ( -2.234 -1.290 2.457) 3.563 6.796 ( -4.030 -0.643 -0.221) 4.087 7.173 ( -1.938 2.406 5.912) 6.670 7.274 ( -6.143 0.653 2.189) 6.554 7.538 ( -15.400 4.778 -16.675) 23.196 7.574 ( -13.854 5.447 8.894) 17.341 8.917 ( 5.702 4.962 0.092) 7.559 8.974 ( 6.460 1.099 1.639) 6.755 9.295 ( 2.083 -2.086 1.494) 3.305 9.371 ( 3.495 0.139 -3.805) 5.168 9.484 ( -2.211 -2.542 -0.777) 3.458 9.618 ( 3.759 -0.996 4.757) 6.144 10.405 ( -4.660 -1.988 4.858) 7.019 10.487 ( -1.503 0.820 -3.913) 4.271 10.889 ( -8.568 -1.326 1.049) 8.733 11.048 ( -2.895 1.930 -1.141) 3.662 11.467 ( 2.354 0.693 -1.665) 2.966 11.569 ( 3.594 -2.850 -0.894) 4.672 12.172 ( -1.831 3.581 5.118) 6.509 12.274 ( -7.019 1.667 4.667) 8.592 12.530 ( -4.602 -0.255 -0.595) 4.647 12.632 ( -6.499 -4.243 -3.617) 8.563 13.164 ( 1.878 -1.861 4.324) 5.068 13.402 ( -1.476 -1.559 -4.312) 4.817 13.999 ( 26.185 1.264 -12.184) 28.908 14.028 ( 18.424 1.280 9.705) 20.864 15.972 ( -2.922 -0.528 7.218) 7.805 16.121 ( -2.533 -0.385 -4.945) 5.569 ======================= Grid point 258 (119/160) ======================= q-point: ( 0.33 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 3.592 -9.672 2.260) 10.562 1.829 ( 9.205 -4.372 2.657) 10.531 1.968 ( 4.242 -3.108 3.334) 6.226 2.027 ( 8.267 0.196 -4.080) 9.221 2.331 ( 6.375 1.561 -2.081) 6.886 2.580 ( 11.967 -4.510 3.643) 13.298 2.639 ( 4.473 -1.710 0.269) 4.797 2.937 ( 14.588 3.039 5.261) 15.802 3.181 ( -0.410 -3.957 14.841) 15.365 3.415 ( -2.955 6.114 -0.659) 6.823 3.499 ( -2.493 2.421 4.362) 5.577 3.608 ( -8.901 4.590 1.528) 10.131 3.747 ( -2.528 -2.205 0.502) 3.391 3.906 ( -1.845 2.110 -2.153) 3.534 4.036 ( 1.311 1.070 -3.563) 3.945 4.133 ( -1.171 1.573 4.793) 5.178 4.231 ( 3.918 1.824 -9.436) 10.379 4.383 ( -6.107 -7.037 3.968) 10.127 4.483 ( -1.834 -0.860 4.540) 4.971 4.587 ( -0.096 0.563 -5.006) 5.039 4.778 ( 0.126 2.145 -2.047) 2.968 4.852 ( 2.895 0.097 -7.479) 8.021 5.241 ( -1.924 0.875 2.040) 2.937 5.392 ( -1.335 -0.516 -8.676) 8.793 6.063 ( 1.044 -0.208 4.669) 4.789 6.103 ( 0.514 -1.014 -2.907) 3.121 6.714 ( -5.493 1.078 4.740) 7.335 6.755 ( -1.500 -1.834 2.409) 3.379 6.982 ( -13.231 3.606 13.765) 19.431 7.193 ( -3.344 1.046 -6.240) 7.156 7.293 ( -7.546 1.586 -5.425) 9.428 7.433 ( -1.333 2.024 -6.900) 7.313 8.921 ( 1.846 4.508 0.117) 4.872 9.063 ( 3.730 0.612 3.214) 4.962 9.333 ( 0.910 0.400 4.584) 4.691 9.420 ( 2.654 0.585 -6.078) 6.658 9.489 ( -0.391 -3.450 -0.621) 3.527 9.721 ( 5.443 -3.331 5.351) 8.328 10.339 ( -3.876 -0.181 4.561) 5.988 10.452 ( -1.513 1.112 -4.960) 5.304 10.795 ( -5.066 -2.617 1.992) 6.040 10.996 ( -0.635 2.021 -3.149) 3.795 11.502 ( 2.520 1.158 -1.229) 3.034 11.653 ( 3.204 -1.994 -0.948) 3.891 12.122 ( -0.716 2.745 5.051) 5.794 12.190 ( -2.688 -0.232 5.395) 6.032 12.469 ( -2.940 -0.548 -0.449) 3.024 12.569 ( -5.186 -3.255 -4.299) 7.481 13.208 ( 1.059 -2.075 4.085) 4.703 13.388 ( -1.582 -1.118 -4.094) 4.529 14.259 ( 11.172 2.418 13.532) 17.713 14.367 ( 18.487 2.012 -15.973) 24.514 15.930 ( -2.759 -0.721 7.330) 7.865 16.079 ( -2.513 -0.386 -5.061) 5.664 ======================= Grid point 259 (120/160) ======================= q-point: ( 0.44 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 2.573 -5.708 1.641) 6.472 1.970 ( 2.144 -0.507 0.280) 2.221 2.025 ( 1.367 -2.944 1.101) 3.427 2.110 ( 1.743 0.482 -2.623) 3.185 2.414 ( 4.256 0.213 -1.445) 4.500 2.698 ( 1.919 -1.050 3.466) 4.099 2.847 ( 12.193 -1.713 3.324) 12.753 3.153 ( 11.310 0.546 9.854) 15.010 3.215 ( -1.321 -3.842 3.917) 5.643 3.262 ( -3.531 5.719 2.647) 7.224 3.419 ( -3.345 2.332 3.679) 5.492 3.470 ( -2.800 2.008 -0.787) 3.534 3.657 ( -10.362 -0.348 -8.804) 13.601 3.919 ( 0.209 -1.312 10.802) 10.883 4.005 ( -0.341 0.347 0.479) 0.682 4.163 ( 5.140 0.571 5.861) 7.817 4.282 ( 2.956 2.532 -11.476) 12.118 4.328 ( -6.796 -5.352 -1.040) 8.713 4.480 ( -0.221 -0.882 3.950) 4.053 4.539 ( -2.632 3.850 2.287) 5.194 4.739 ( -0.622 1.229 -6.135) 6.287 4.919 ( 3.359 -0.576 -10.065) 10.627 5.214 ( -0.807 -0.727 3.515) 3.679 5.373 ( -0.740 0.236 -8.485) 8.520 6.066 ( -0.321 0.958 5.017) 5.118 6.130 ( 1.418 -0.916 -3.219) 3.635 6.586 ( -6.395 2.496 18.074) 19.333 6.764 ( 0.492 -1.568 2.522) 3.010 6.806 ( -5.515 -0.247 3.926) 6.774 7.124 ( -0.506 1.050 -19.133) 19.169 7.242 ( -1.016 -0.935 5.757) 5.920 7.417 ( 0.671 0.945 -9.454) 9.525 8.908 ( 0.768 2.529 1.100) 2.863 9.095 ( 0.829 -0.077 2.117) 2.275 9.327 ( -0.943 0.263 6.643) 6.715 9.441 ( 0.877 1.013 -4.887) 5.068 9.519 ( -0.021 -2.024 0.922) 2.225 9.844 ( 4.264 -3.412 3.007) 6.235 10.292 ( -1.081 1.211 2.983) 3.396 10.416 ( -1.157 0.703 -5.934) 6.087 10.754 ( -3.400 -2.878 3.650) 5.759 10.987 ( 2.228 2.868 -5.131) 6.286 11.521 ( 1.051 1.282 -0.309) 1.686 11.705 ( 1.091 -0.948 -1.039) 1.780 12.092 ( -0.913 0.947 5.933) 6.077 12.174 ( -0.293 -0.839 4.932) 5.011 12.447 ( -0.031 -0.383 -2.105) 2.140 12.519 ( -3.088 -1.318 -3.301) 4.709 13.244 ( 1.260 -1.206 3.661) 4.055 13.368 ( -1.350 0.049 -3.866) 4.095 14.352 ( 1.715 1.600 13.079) 13.288 14.584 ( 8.939 0.324 -15.535) 17.926 15.902 ( -1.273 -0.594 7.382) 7.515 16.049 ( -0.985 -0.045 -5.210) 5.303 ======================= Grid point 260 (121/160) ======================= q-point: (-0.44 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -3.206 3.470 0.675) 4.772 1.911 ( -6.576 2.555 5.527) 8.962 2.073 ( -0.418 -1.644 -2.862) 3.326 2.101 ( -2.138 -1.696 -1.642) 3.185 2.442 ( -1.149 0.308 -4.678) 4.827 2.701 ( -1.269 1.071 3.589) 3.954 2.888 ( -7.925 5.536 -0.082) 9.668 3.179 ( 4.594 -4.236 2.408) 6.697 3.286 ( -5.541 -8.002 1.960) 9.928 3.332 ( 0.677 2.179 -1.596) 2.785 3.394 ( 4.018 2.799 7.723) 9.145 3.443 ( 5.800 -0.242 4.735) 7.491 3.517 ( -0.946 -0.901 -2.417) 2.747 3.932 ( 0.357 -3.202 5.473) 6.351 3.979 ( -3.726 0.213 9.066) 9.804 4.193 ( -7.657 0.562 -9.374) 12.117 4.267 ( 0.387 0.813 10.323) 10.362 4.328 ( 5.931 0.715 -6.000) 8.467 4.472 ( 0.253 4.659 0.742) 4.725 4.487 ( 0.925 -0.863 1.310) 1.821 4.754 ( 1.761 -1.586 -5.769) 6.237 4.947 ( -0.051 0.160 -8.998) 8.999 5.236 ( 1.577 -1.788 1.262) 2.698 5.360 ( -0.041 0.631 -8.073) 8.098 6.044 ( -0.663 1.620 4.913) 5.216 6.152 ( 0.384 -0.010 -3.126) 3.150 6.524 ( 1.374 0.325 20.983) 21.030 6.764 ( -0.733 -0.571 2.381) 2.556 6.800 ( 2.559 -0.447 2.055) 3.312 7.168 ( 4.049 -1.994 -16.042) 16.665 7.250 ( 0.874 -1.685 3.359) 3.858 7.435 ( 2.962 0.122 -11.293) 11.676 8.900 ( -0.054 0.596 1.884) 1.977 9.107 ( 0.075 -1.058 1.115) 1.539 9.305 ( -2.050 -0.665 7.314) 7.625 9.424 ( -1.839 1.253 -0.779) 2.358 9.516 ( -1.422 -0.523 -0.571) 1.619 9.899 ( -0.715 -0.451 -1.149) 1.426 10.285 ( 2.231 1.819 3.257) 4.346 10.416 ( 1.009 -1.364 -6.085) 6.317 10.736 ( -1.681 -2.514 4.733) 5.617 11.007 ( 4.036 4.044 -6.306) 8.510 11.510 ( -1.038 1.003 0.741) 1.622 11.703 ( -1.816 0.080 -0.911) 2.033 12.078 ( -1.030 -1.300 6.844) 7.042 12.190 ( 1.019 -0.782 3.843) 4.052 12.474 ( 2.902 0.410 -4.022) 4.977 12.494 ( 0.179 0.867 -1.340) 1.606 13.275 ( 1.689 0.240 3.092) 3.531 13.341 ( -0.845 1.291 -3.716) 4.023 14.290 ( -8.253 0.175 12.394) 14.892 14.656 ( -1.500 -2.794 -15.798) 16.114 15.906 ( 1.208 -0.174 7.302) 7.403 16.047 ( 1.116 0.471 -5.342) 5.477 ======================= Grid point 261 (122/160) ======================= q-point: (-0.33 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.817 8.419 1.074) 9.759 1.724 ( -10.300 5.538 10.396) 15.647 1.966 ( -11.184 -0.429 0.128) 11.193 2.123 ( -0.340 -2.088 -5.581) 5.968 2.362 ( -7.562 0.656 -6.784) 10.180 2.629 ( -8.968 2.820 -0.154) 9.402 2.676 ( -4.456 4.380 -3.492) 7.158 3.037 ( -18.131 0.066 -4.340) 18.643 3.305 ( 1.998 -4.590 7.750) 9.227 3.367 ( 0.311 -4.720 0.055) 4.730 3.510 ( 7.249 0.894 12.571) 14.539 3.570 ( 4.573 -2.507 2.670) 5.859 3.632 ( 10.184 -2.237 0.824) 10.459 3.890 ( -2.473 5.139 10.492) 11.942 3.974 ( -2.540 -1.394 1.282) 3.168 4.074 ( -3.097 -4.139 -6.893) 8.616 4.230 ( -0.776 0.714 6.499) 6.584 4.421 ( -2.320 1.596 -0.656) 2.892 4.450 ( 5.910 -0.447 2.085) 6.283 4.547 ( 5.711 2.243 -5.143) 8.006 4.801 ( 1.288 -1.823 -4.540) 5.059 4.922 ( -2.311 0.125 -6.837) 7.218 5.280 ( 1.373 -1.346 -0.403) 1.964 5.355 ( 0.425 0.888 -7.607) 7.670 6.020 ( -0.317 1.722 4.424) 4.758 6.144 ( -0.654 0.554 -2.453) 2.598 6.627 ( 8.694 -0.373 13.460) 16.028 6.775 ( 1.392 0.080 1.464) 2.022 6.885 ( 7.943 -1.261 8.684) 11.836 7.211 ( -0.313 -1.384 1.472) 2.045 7.315 ( 1.977 -2.656 -8.315) 8.950 7.564 ( 11.828 -3.666 -15.349) 19.721 8.888 ( -1.691 -0.496 3.361) 3.795 9.111 ( -2.338 -2.460 -1.011) 3.541 9.275 ( -2.330 -0.989 6.956) 7.402 9.357 ( -3.503 1.993 2.620) 4.807 9.501 ( -0.938 -0.807 -2.700) 2.970 9.837 ( -4.574 2.272 -4.512) 6.815 10.330 ( 4.614 2.067 5.206) 7.257 10.458 ( 1.793 -1.671 -5.797) 6.294 10.763 ( 2.192 -3.035 4.311) 5.709 11.038 ( 4.830 4.814 -5.957) 9.055 11.471 ( -2.280 0.915 1.645) 2.957 11.646 ( -4.038 1.064 -0.368) 4.192 12.089 ( -0.135 -3.014 7.114) 7.727 12.227 ( 2.415 -1.016 2.917) 3.921 12.498 ( 3.276 2.981 -1.037) 4.550 12.541 ( 4.605 0.304 -3.640) 5.878 13.296 ( 1.643 1.559 1.415) 2.671 13.314 ( -0.353 1.926 -2.718) 3.350 14.080 ( -16.748 -0.343 11.477) 20.306 14.579 ( -11.835 -4.901 -16.930) 21.230 15.945 ( 2.915 0.131 7.052) 7.632 16.072 ( 2.462 0.721 -5.451) 6.025 ======================= Grid point 262 (123/160) ======================= q-point: (-0.22 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -0.130 7.299 3.467) 8.082 1.488 ( -10.647 5.724 13.532) 18.145 1.743 ( -13.366 2.063 4.559) 14.272 2.078 ( -7.178 -0.812 -12.531) 14.464 2.197 ( -9.838 0.128 -4.499) 10.819 2.439 ( -6.349 4.587 -5.098) 9.346 2.611 ( -3.324 -0.140 -1.323) 3.581 2.749 ( -14.279 -0.361 -4.053) 14.848 3.309 ( -4.040 1.731 18.547) 19.061 3.410 ( -0.814 -4.964 2.666) 5.693 3.556 ( -0.186 2.531 4.771) 5.403 3.661 ( 3.569 -1.437 6.923) 7.920 3.817 ( 8.112 -4.064 5.391) 10.554 3.839 ( -2.384 2.842 -10.855) 11.471 3.943 ( 5.524 0.554 5.759) 7.999 4.147 ( 1.890 -5.534 -7.592) 9.583 4.243 ( 1.617 -1.408 8.884) 9.139 4.382 ( -0.967 -0.535 -1.496) 1.860 4.524 ( 2.307 -0.605 5.422) 5.924 4.612 ( 4.947 3.264 -7.366) 9.454 4.815 ( -1.068 -0.491 -3.864) 4.039 4.867 ( -4.047 -0.149 -5.531) 6.855 5.305 ( 0.443 -0.917 -1.205) 1.578 5.354 ( 0.770 1.324 -7.159) 7.321 6.001 ( -0.145 1.565 4.570) 4.832 6.125 ( -0.767 0.636 -2.893) 3.059 6.749 ( 4.970 0.922 3.823) 6.337 6.803 ( 2.256 0.676 -0.140) 2.359 7.152 ( 19.448 -3.754 15.773) 25.320 7.213 ( -0.266 -1.032 4.156) 4.291 7.351 ( 0.935 -1.965 -7.262) 7.581 7.860 ( 15.314 -7.259 -14.260) 22.148 8.842 ( -4.659 -0.498 6.141) 7.724 9.048 ( -7.936 -2.371 -4.204) 9.289 9.263 ( -0.414 -0.982 4.581) 4.703 9.294 ( -1.601 1.550 2.668) 3.476 9.496 ( -0.854 -1.200 -1.694) 2.245 9.727 ( -4.939 2.784 -4.983) 7.548 10.384 ( 4.260 2.905 5.224) 7.340 10.503 ( 2.361 -0.885 -4.223) 4.919 10.876 ( 6.522 -4.302 2.185) 8.113 11.079 ( 5.543 4.236 -3.777) 7.933 11.426 ( -1.408 1.392 2.170) 2.938 11.558 ( -4.352 1.529 0.038) 4.613 12.142 ( 2.276 -4.526 7.150) 8.763 12.293 ( 3.922 -0.894 3.564) 5.374 12.547 ( 6.223 2.934 -1.540) 7.050 12.620 ( 5.156 0.632 -2.879) 5.939 13.280 ( -0.882 2.050 -6.423) 6.799 13.310 ( 1.173 1.502 4.185) 4.599 13.748 ( -21.873 0.672 9.365) 23.803 14.339 ( -21.401 -4.134 -17.427) 27.907 15.995 ( 2.755 0.169 6.779) 7.319 16.109 ( 2.631 0.577 -5.496) 6.121 ======================= Grid point 263 (124/160) ======================= q-point: (-0.11 0.00 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 6.785 3.265 5.649) 9.413 1.283 ( -8.112 3.492 14.998) 17.405 1.508 ( -10.689 2.663 9.613) 14.620 1.914 ( -9.870 0.780 -19.455) 21.829 2.083 ( -2.868 -0.634 -0.523) 2.983 2.286 ( -9.137 1.610 -3.876) 10.055 2.554 ( -3.658 -1.633 0.965) 4.120 2.610 ( -2.457 0.711 -6.752) 7.221 3.183 ( -6.748 3.045 27.900) 28.866 3.436 ( -0.865 -3.110 6.294) 7.074 3.522 ( 0.460 2.843 -4.928) 5.708 3.700 ( -0.545 0.909 13.383) 13.424 3.790 ( 0.968 -0.456 -21.372) 21.398 4.000 ( 6.965 -3.721 4.716) 9.198 4.042 ( 4.804 0.346 3.019) 5.684 4.214 ( 2.730 -1.976 -5.882) 6.779 4.292 ( 0.689 -1.151 10.210) 10.297 4.401 ( 0.876 -3.122 -4.109) 5.235 4.545 ( -0.500 -0.016 7.833) 7.848 4.644 ( 3.091 3.140 -8.031) 9.160 4.780 ( -3.089 -0.418 -3.837) 4.943 4.791 ( -4.236 0.379 -3.037) 5.226 5.319 ( 0.148 -1.285 -2.994) 3.262 5.351 ( 1.015 1.854 -6.575) 6.906 5.990 ( 0.190 0.883 4.976) 5.057 6.105 ( -0.884 0.505 -3.374) 3.524 6.796 ( 1.878 0.782 2.798) 3.459 6.833 ( 1.916 0.660 -1.349) 2.434 7.207 ( -0.772 -0.646 5.193) 5.290 7.341 ( 0.641 -0.551 -8.458) 8.500 7.621 ( 23.666 -4.471 14.053) 27.884 8.150 ( 9.031 -6.409 -10.961) 15.582 8.745 ( -6.768 0.041 8.996) 11.258 8.914 ( -7.922 -0.428 -7.098) 10.645 9.251 ( -1.160 0.260 4.115) 4.283 9.288 ( 0.468 -0.556 -1.089) 1.309 9.497 ( 0.152 -0.919 -0.258) 0.966 9.622 ( -4.369 2.184 -3.702) 6.129 10.422 ( 2.979 2.029 4.968) 6.138 10.545 ( 1.602 -0.226 -4.362) 4.653 11.034 ( 6.403 -3.380 0.932) 7.300 11.138 ( 3.922 1.508 -1.270) 4.390 11.412 ( 1.789 1.836 1.869) 3.172 11.484 ( -2.698 0.985 -0.122) 2.875 12.271 ( 5.695 -6.815 6.931) 11.266 12.364 ( 5.098 1.478 3.412) 6.309 12.670 ( 10.887 1.035 -1.828) 11.088 12.704 ( 6.612 1.399 -0.820) 6.808 13.224 ( -4.787 0.921 -7.643) 9.065 13.275 ( -11.297 0.330 3.929) 11.965 13.408 ( -8.041 2.273 5.421) 9.960 13.941 ( -26.693 -0.862 -13.279) 29.826 16.030 ( 1.207 0.111 6.630) 6.740 16.143 ( 1.842 0.268 -5.381) 5.694 ======================= Grid point 265 (125/160) ======================= q-point: ( 0.11 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.465 -0.000 5.732) 5.751 1.559 ( 10.728 -0.000 6.960) 12.788 1.775 ( 11.409 -0.000 7.855) 13.851 1.869 ( 8.964 -0.000 -9.215) 12.855 2.234 ( 11.501 -0.000 -3.521) 12.028 2.309 ( 5.353 -0.000 0.963) 5.439 2.597 ( -0.748 0.000 -0.843) 1.127 2.754 ( 13.729 -0.000 -2.757) 14.003 3.072 ( 3.058 -0.000 25.925) 26.105 3.505 ( -2.161 0.000 -1.011) 2.386 3.521 ( 2.430 -0.000 9.839) 10.134 3.794 ( 1.974 -0.000 -0.234) 1.988 3.876 ( -7.818 0.000 -4.788) 9.168 3.988 ( 1.630 -0.000 -6.261) 6.469 4.035 ( -5.533 0.000 -6.050) 8.199 4.119 ( -0.723 0.000 -5.093) 5.145 4.296 ( -2.434 0.000 1.094) 2.669 4.361 ( -3.486 0.000 8.940) 9.596 4.513 ( -5.992 0.000 5.818) 8.352 4.557 ( 2.784 -0.000 -6.584) 7.149 4.745 ( 2.908 -0.000 3.902) 4.866 4.848 ( 2.564 -0.000 -7.570) 7.992 5.299 ( -1.810 0.000 -2.627) 3.190 5.389 ( 0.097 -0.000 -8.011) 8.011 6.032 ( 1.504 -0.000 5.301) 5.510 6.077 ( 0.306 -0.000 -3.950) 3.962 6.758 ( -2.068 0.000 2.316) 3.105 6.789 ( -3.634 0.000 -1.227) 3.835 7.195 ( 0.002 -0.000 4.630) 4.630 7.281 ( -7.053 0.000 2.936) 7.640 7.586 ( -18.500 0.000 -16.672) 24.904 7.631 ( -16.222 0.000 11.013) 19.607 8.967 ( 9.677 -0.000 5.016) 10.900 9.006 ( 3.105 -0.000 -6.702) 7.387 9.248 ( 1.511 -0.000 2.351) 2.795 9.372 ( 3.721 -0.000 -3.699) 5.247 9.463 ( -1.833 0.000 2.405) 3.023 9.608 ( 2.407 -0.000 3.448) 4.205 10.382 ( -3.466 0.000 6.152) 7.062 10.501 ( -0.872 0.000 -6.843) 6.899 10.871 ( -9.697 0.000 3.281) 10.237 11.068 ( -3.358 0.000 -2.292) 4.066 11.480 ( 2.637 -0.000 -3.352) 4.265 11.533 ( 4.460 -0.000 0.667) 4.510 12.213 ( -2.637 0.000 5.238) 5.864 12.287 ( -9.355 0.000 6.888) 11.617 12.543 ( -3.733 0.000 -5.165) 6.373 12.574 ( -6.019 0.000 -0.202) 6.023 13.146 ( 1.939 -0.000 4.035) 4.476 13.385 ( -1.215 0.000 -4.297) 4.465 14.011 ( 27.984 -0.000 -16.405) 32.438 14.042 ( 18.534 -0.000 13.741) 23.072 15.967 ( -2.957 0.000 7.242) 7.822 16.117 ( -2.522 0.000 -4.927) 5.535 ======================= Grid point 266 (126/160) ======================= q-point: ( 0.22 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 4.722 -4.543 3.207) 7.295 1.761 ( 11.088 -2.060 3.805) 11.903 1.923 ( 4.854 -1.335 6.318) 8.079 2.031 ( 9.259 0.124 -5.895) 10.977 2.392 ( 8.376 4.380 -1.541) 9.577 2.488 ( 10.898 -4.975 0.306) 11.984 2.619 ( 5.750 -0.380 0.360) 5.774 2.954 ( 8.482 -0.618 6.600) 10.765 3.165 ( 7.158 1.210 14.316) 16.051 3.468 ( -2.536 -0.434 1.780) 3.129 3.534 ( -1.124 1.402 6.753) 6.988 3.681 ( -11.347 2.332 -0.387) 11.590 3.744 ( -5.730 0.997 -2.118) 6.190 3.955 ( -3.188 3.041 -0.664) 4.455 4.043 ( 3.662 0.106 -8.486) 9.243 4.131 ( 0.080 -2.197 -2.377) 3.237 4.256 ( -4.618 -3.980 0.256) 6.101 4.292 ( -1.436 3.125 6.117) 7.017 4.444 ( -3.069 -2.379 3.431) 5.182 4.596 ( 1.556 0.263 -6.419) 6.610 4.805 ( 3.721 0.578 0.883) 3.868 4.862 ( 0.043 0.573 -7.999) 8.020 5.253 ( -3.221 0.281 0.158) 3.237 5.385 ( -0.406 -0.130 -7.883) 7.894 6.061 ( 1.653 0.004 4.550) 4.841 6.089 ( 0.933 -0.411 -3.711) 3.849 6.726 ( -3.444 0.270 -0.337) 3.471 6.731 ( -1.459 -0.641 2.032) 2.582 7.042 ( -17.384 2.012 20.556) 26.996 7.197 ( -0.719 -0.308 1.282) 1.502 7.319 ( -11.284 0.852 -15.626) 19.293 7.462 ( -3.837 0.807 -4.168) 5.722 9.006 ( -0.171 3.395 -4.110) 5.334 9.077 ( 3.586 0.554 4.753) 5.980 9.308 ( 2.672 -2.310 1.967) 4.043 9.428 ( 2.189 0.441 -4.017) 4.596 9.442 ( -0.264 -1.170 1.919) 2.263 9.666 ( 3.890 -1.766 5.954) 7.328 10.336 ( -2.055 -0.075 6.280) 6.608 10.482 ( -0.925 1.263 -7.824) 7.979 10.751 ( -5.511 -1.548 4.701) 7.407 11.028 ( -0.346 0.956 -5.731) 5.821 11.525 ( 2.901 0.904 -3.168) 4.390 11.620 ( 4.443 -1.149 0.341) 4.602 12.167 ( -2.016 1.477 5.644) 6.173 12.181 ( -4.033 -0.440 7.518) 8.543 12.474 ( -2.849 0.928 -2.290) 3.771 12.510 ( -3.769 -2.574 -3.136) 5.537 13.180 ( 1.785 -0.742 3.762) 4.230 13.371 ( -0.780 -0.528 -4.124) 4.230 14.294 ( 10.778 1.026 14.971) 18.476 14.398 ( 18.098 0.947 -17.670) 25.311 15.920 ( -2.638 -0.267 7.455) 7.913 16.073 ( -2.355 -0.176 -5.061) 5.585 ======================= Grid point 267 (127/160) ======================= q-point: ( 0.33 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 7.338 -6.108 2.677) 9.916 1.945 ( 7.573 -1.892 2.169) 8.101 1.970 ( -0.859 -1.691 2.284) 2.969 2.137 ( 3.144 1.334 -1.736) 3.832 2.455 ( 4.794 3.809 -1.235) 6.246 2.655 ( 5.038 -3.460 1.299) 6.249 2.830 ( 14.329 -0.055 -0.601) 14.341 3.060 ( 1.495 -4.905 13.299) 14.253 3.257 ( 4.685 3.256 4.987) 7.577 3.378 ( -6.813 5.035 3.910) 9.331 3.465 ( -4.561 2.043 1.990) 5.379 3.492 ( -4.037 0.416 -2.437) 4.734 3.666 ( -6.059 1.140 -5.249) 8.097 3.887 ( -1.587 -0.785 6.640) 6.872 4.031 ( -3.732 1.673 -0.610) 4.135 4.165 ( 1.798 -2.414 7.298) 7.894 4.196 ( -5.419 -4.906 1.340) 7.432 4.321 ( 4.396 1.102 -6.365) 7.814 4.453 ( 1.223 -1.737 -0.667) 2.227 4.588 ( -1.380 1.247 -1.727) 2.538 4.792 ( -1.640 3.645 -5.583) 6.867 4.903 ( 3.520 -1.115 -8.776) 9.521 5.200 ( -2.615 -0.712 3.515) 4.439 5.378 ( -0.152 0.285 -7.836) 7.843 6.083 ( 0.919 0.641 4.238) 4.383 6.115 ( 1.816 -0.500 -3.824) 4.263 6.639 ( -6.661 2.839 13.061) 14.934 6.735 ( 0.970 -1.555 0.571) 1.920 6.799 ( -7.461 -0.406 12.529) 14.587 7.151 ( -2.757 1.398 -19.328) 19.574 7.221 ( -1.485 -1.062 4.633) 4.980 7.423 ( -0.984 -0.095 -7.715) 7.778 8.958 ( -1.779 2.326 -1.987) 3.539 9.102 ( 0.567 0.596 3.125) 3.232 9.324 ( -1.998 -0.558 6.151) 6.491 9.456 ( 0.862 0.428 -6.218) 6.292 9.474 ( 1.645 -2.256 2.778) 3.939 9.772 ( 4.918 -3.316 5.591) 8.151 10.317 ( 0.344 1.195 4.530) 4.697 10.440 ( -2.132 1.347 -7.989) 8.378 10.704 ( -2.629 -2.051 5.703) 6.606 11.037 ( 3.170 2.129 -8.280) 9.118 11.549 ( 1.177 1.388 -2.479) 3.076 11.689 ( 2.350 -0.679 0.035) 2.447 12.113 ( -2.846 1.058 6.360) 7.047 12.152 ( -1.009 -1.224 6.613) 6.800 12.446 ( 0.552 0.279 -2.443) 2.520 12.490 ( -0.827 -1.592 -3.001) 3.496 13.225 ( 2.685 -0.668 3.425) 4.403 13.365 ( -0.343 -0.242 -3.920) 3.942 14.381 ( 0.400 1.217 14.054) 14.113 14.594 ( 6.439 0.546 -16.306) 17.540 15.894 ( -0.762 -0.267 7.567) 7.610 16.047 ( -0.552 -0.091 -5.183) 5.213 ======================= Grid point 268 (128/160) ======================= q-point: (-0.56 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.611 -1.357 2.330) 5.341 1.934 ( -4.529 -0.938 1.134) 4.762 2.029 ( -0.379 -0.616 1.623) 1.777 2.117 ( -1.514 2.142 1.829) 3.197 2.481 ( 1.015 2.932 -5.508) 6.322 2.723 ( 1.147 0.973 2.962) 3.322 2.970 ( -1.235 2.596 -0.931) 3.021 3.118 ( -2.337 -5.391 3.803) 6.999 3.149 ( -4.507 -1.092 3.707) 5.937 3.364 ( 0.657 0.140 2.098) 2.203 3.428 ( -4.072 -0.001 -2.339) 4.696 3.449 ( 3.438 0.198 3.515) 4.921 3.546 ( 1.813 4.992 1.107) 5.425 3.878 ( -1.785 -1.886 9.051) 9.416 3.961 ( -4.102 -1.798 5.903) 7.410 4.150 ( -5.379 -5.035 -8.347) 11.134 4.255 ( 3.358 -1.346 15.041) 15.470 4.358 ( 2.281 1.900 -7.447) 8.017 4.485 ( 0.537 1.014 0.141) 1.156 4.553 ( 1.158 2.025 -2.547) 3.454 4.743 ( -0.026 1.463 -6.238) 6.407 4.943 ( 0.068 -0.579 -10.745) 10.761 5.201 ( 1.220 -1.885 4.045) 4.626 5.372 ( 0.257 0.632 -8.069) 8.098 6.080 ( 0.237 1.894 4.177) 4.593 6.149 ( 1.312 -0.221 -3.963) 4.180 6.528 ( -2.205 0.128 23.071) 23.177 6.760 ( 0.342 0.199 2.834) 2.861 6.791 ( 3.935 -0.603 1.174) 4.151 7.139 ( 1.845 -1.025 -17.773) 17.898 7.222 ( 0.172 -1.136 3.499) 3.682 7.421 ( 0.230 -1.379 -9.118) 9.224 8.910 ( -2.180 0.391 -0.902) 2.392 9.099 ( -0.497 0.093 1.755) 1.826 9.287 ( -3.141 -1.130 7.595) 8.296 9.443 ( -1.594 0.640 -3.262) 3.687 9.502 ( -0.502 -0.873 2.568) 2.759 9.868 ( 2.118 -2.227 2.487) 3.953 10.328 ( 2.831 2.277 1.609) 3.973 10.401 ( -0.698 -0.253 -6.592) 6.633 10.696 ( -0.609 -1.558 6.662) 6.869 11.078 ( 4.421 3.089 -9.563) 10.979 11.535 ( -0.999 1.455 -1.285) 2.183 11.707 ( -0.507 0.266 -0.163) 0.596 12.063 ( -2.451 -0.190 7.019) 7.437 12.159 ( -0.429 -2.220 4.523) 5.057 12.483 ( 4.006 0.612 -2.881) 4.972 12.510 ( 2.478 0.572 -1.678) 3.047 13.282 ( 3.598 0.453 3.000) 4.706 13.361 ( 0.170 0.672 -3.826) 3.888 14.296 ( -9.390 0.427 12.323) 15.499 14.608 ( -4.848 -2.032 -14.725) 15.636 15.906 ( 1.839 0.087 7.398) 7.624 16.055 ( 1.551 0.302 -5.234) 5.467 ======================= Grid point 269 (129/160) ======================= q-point: (-0.44 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.633 6.756 1.704) 7.156 1.835 ( -6.281 4.471 6.734) 10.237 1.941 ( -8.709 -1.083 1.428) 8.891 2.093 ( -1.389 -0.398 0.339) 1.484 2.410 ( -5.476 3.508 -9.251) 11.308 2.673 ( -4.718 3.188 2.510) 6.223 2.790 ( -8.478 5.873 -4.590) 11.289 3.024 ( -15.945 -1.442 -6.001) 17.098 3.188 ( 2.693 -6.538 6.372) 9.519 3.287 ( -1.757 -2.672 4.553) 5.563 3.512 ( 4.550 -3.122 3.866) 6.738 3.533 ( 6.390 -1.039 0.896) 6.535 3.622 ( 7.197 1.792 6.520) 9.875 3.894 ( -0.575 -2.735 10.014) 10.396 3.933 ( 0.455 -2.442 4.253) 4.925 4.085 ( -4.755 2.206 -10.960) 12.150 4.222 ( -4.280 -0.568 12.772) 13.482 4.420 ( -0.298 -0.221 -2.876) 2.900 4.457 ( 2.577 1.166 2.811) 3.988 4.605 ( 5.621 1.695 -6.258) 8.581 4.754 ( 0.558 -1.602 -5.609) 5.860 4.924 ( -2.058 -0.195 -8.383) 8.634 5.254 ( 2.205 -1.452 2.563) 3.680 5.372 ( 0.813 0.905 -8.471) 8.558 6.062 ( 0.291 2.525 3.976) 4.719 6.154 ( -0.299 0.450 -2.680) 2.734 6.598 ( 7.537 -2.759 19.785) 21.351 6.781 ( 2.431 0.881 2.917) 3.898 6.876 ( 6.443 0.229 1.989) 6.747 7.176 ( -0.204 -2.138 -1.517) 2.629 7.266 ( 2.693 -2.053 -8.042) 8.726 7.481 ( 5.156 -4.596 -12.469) 14.255 8.874 ( -2.672 -0.933 0.104) 2.832 9.077 ( -3.062 -1.037 0.032) 3.233 9.249 ( -2.865 -1.704 8.011) 8.677 9.390 ( -3.254 1.258 0.824) 3.585 9.490 ( -1.017 -0.194 0.552) 1.173 9.867 ( -2.856 0.811 -2.400) 3.818 10.374 ( 5.293 2.030 1.765) 5.938 10.430 ( 2.793 -0.893 -4.475) 5.350 10.719 ( 1.761 -1.551 6.744) 7.141 11.115 ( 3.644 3.083 -9.664) 10.778 11.496 ( -1.524 1.563 -0.130) 2.187 11.669 ( -2.822 1.334 0.084) 3.122 12.042 ( -1.194 -1.757 7.099) 7.410 12.183 ( 0.099 -3.308 2.467) 4.128 12.553 ( 4.715 2.149 -3.939) 6.509 12.561 ( 5.892 1.971 0.746) 6.258 13.331 ( 3.208 1.949 3.336) 5.022 13.354 ( 0.595 2.022 -4.670) 5.124 14.075 ( -16.367 -0.087 10.387) 19.384 14.478 ( -13.947 -5.109 -13.986) 20.401 15.950 ( 3.205 0.369 7.100) 7.798 16.086 ( 2.610 0.669 -5.308) 5.952 ======================= Grid point 270 (130/160) ======================= q-point: (-0.33 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -1.270 8.905 3.682) 9.720 1.636 ( -8.599 9.149 11.705) 17.165 1.784 ( -9.541 1.630 1.478) 9.791 2.051 ( -5.078 -1.325 -1.741) 5.529 2.239 ( -9.629 3.571 -10.619) 14.773 2.516 ( -8.877 3.127 -2.590) 9.762 2.649 ( -3.428 4.197 -2.610) 6.015 2.746 ( -13.984 0.418 -5.675) 15.097 3.298 ( -0.861 -6.122 7.135) 9.441 3.308 ( 1.858 -2.041 10.482) 10.839 3.604 ( 2.401 -3.289 2.138) 4.599 3.642 ( 4.654 3.792 7.704) 9.767 3.700 ( 2.544 -5.334 4.171) 7.233 3.926 ( 3.009 -2.348 9.306) 10.058 3.953 ( -4.085 5.632 -11.932) 13.812 4.038 ( 6.198 -3.455 0.031) 7.096 4.201 ( -1.265 -3.279 3.835) 5.202 4.366 ( -3.119 -0.172 3.067) 4.378 4.515 ( 2.483 -0.171 1.108) 2.725 4.679 ( 4.849 2.004 -6.140) 8.077 4.770 ( -1.469 -2.670 -5.500) 6.288 4.878 ( -3.034 0.543 -5.573) 6.369 5.291 ( 0.894 -0.583 2.143) 2.394 5.380 ( 1.524 1.367 -8.884) 9.117 6.043 ( 0.237 2.652 4.072) 4.865 6.140 ( -0.398 0.847 -2.501) 2.670 6.763 ( 6.962 -0.340 7.365) 10.141 6.818 ( 2.753 0.987 3.080) 4.247 7.063 ( 14.717 -4.623 11.401) 19.182 7.184 ( -0.527 -1.899 3.504) 4.020 7.309 ( 0.323 -2.097 -8.741) 8.995 7.687 ( 9.832 -9.830 -13.716) 19.530 8.825 ( -4.491 -1.059 2.565) 5.279 9.007 ( -6.621 -1.710 -2.668) 7.341 9.233 ( -1.391 -2.094 6.595) 7.058 9.326 ( -2.418 1.430 1.983) 3.439 9.479 ( -0.453 -0.192 0.818) 0.954 9.782 ( -4.329 2.621 -5.283) 7.316 10.453 ( 6.150 3.606 2.566) 7.576 10.486 ( 3.154 -0.462 -1.956) 3.740 10.803 ( 5.413 -3.278 5.416) 8.329 11.138 ( 2.099 1.719 -8.304) 8.736 11.465 ( 0.392 2.402 0.034) 2.434 11.595 ( -3.707 2.110 0.648) 4.314 12.061 ( 0.463 -3.511 7.222) 8.044 12.233 ( 1.172 -4.763 0.922) 4.991 12.613 ( 6.188 3.368 -2.452) 7.459 12.653 ( 7.422 2.839 0.527) 7.964 13.331 ( -0.675 2.804 -5.192) 5.939 13.350 ( 1.209 2.609 3.379) 4.436 13.766 ( -19.061 1.184 7.879) 20.659 14.238 ( -20.309 -5.916 -13.687) 25.195 16.001 ( 2.815 0.384 6.883) 7.447 16.122 ( 2.557 0.768 -5.395) 6.019 ======================= Grid point 271 (131/160) ======================= q-point: (-0.22 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.424 6.529 7.963) 10.852 1.411 ( -6.318 9.402 12.102) 16.576 1.600 ( -7.346 6.174 5.575) 11.098 1.938 ( -8.409 1.439 -13.741) 16.174 2.075 ( -4.402 0.278 -1.243) 4.582 2.326 ( -10.343 1.796 -6.233) 12.209 2.538 ( -4.767 0.950 3.365) 5.912 2.627 ( -1.253 1.340 -8.574) 8.768 3.257 ( -4.254 2.628 22.034) 22.594 3.370 ( 0.727 -3.042 6.234) 6.975 3.584 ( -1.010 3.516 -0.003) 3.658 3.701 ( 2.739 -1.136 12.823) 13.162 3.798 ( -0.012 0.025 -13.686) 13.686 3.914 ( 5.596 -3.865 2.692) 7.315 4.012 ( 1.895 -3.245 -1.918) 4.220 4.148 ( 1.115 -4.216 -5.078) 6.694 4.253 ( 4.414 -2.784 2.594) 5.827 4.334 ( -2.251 -2.121 4.085) 5.124 4.549 ( 1.387 -0.028 4.697) 4.898 4.717 ( 2.790 3.318 -6.865) 8.120 4.749 ( -3.719 -2.385 -4.327) 6.184 4.812 ( -3.408 1.217 -3.322) 4.913 5.301 ( -0.126 -0.563 0.816) 0.999 5.390 ( 1.699 2.043 -8.923) 9.310 6.022 ( 0.136 2.333 4.790) 5.330 6.122 ( -0.509 1.230 -3.075) 3.351 6.824 ( 2.228 2.103 2.906) 4.223 6.854 ( 2.323 1.172 0.427) 2.637 7.183 ( -0.747 -1.846 5.586) 5.931 7.322 ( 0.414 -1.426 -8.346) 8.477 7.465 ( 19.221 -10.748 13.053) 25.600 7.944 ( 5.954 -13.311 -11.003) 18.267 8.743 ( -5.748 -0.184 6.327) 8.550 8.902 ( -6.417 -0.815 -6.077) 8.876 9.239 ( -0.527 -1.907 4.217) 4.658 9.288 ( -0.724 0.723 1.286) 1.644 9.480 ( 0.388 -0.325 2.394) 2.446 9.682 ( -3.798 3.416 -5.949) 7.841 10.491 ( 3.503 4.729 2.237) 6.296 10.541 ( 2.257 0.057 -0.209) 2.268 10.951 ( 6.421 -4.708 4.159) 8.982 11.153 ( 0.636 -0.200 -5.398) 5.439 11.468 ( 3.027 3.377 -0.978) 4.639 11.516 ( -2.891 2.113 0.845) 3.679 12.138 ( 2.998 -6.323 7.925) 10.572 12.310 ( 1.599 -6.047 -1.156) 6.361 12.713 ( 9.778 2.916 -1.595) 10.327 12.760 ( 9.611 4.227 1.522) 10.609 13.256 ( -5.640 2.286 -7.212) 9.437 13.287 ( -10.579 0.793 4.019) 11.344 13.480 ( -6.591 4.630 5.197) 9.586 13.911 ( -21.678 -2.080 -11.380) 24.571 16.034 ( 1.264 0.325 6.776) 6.900 16.152 ( 1.747 0.632 -5.370) 5.683 ======================= Grid point 272 (132/160) ======================= q-point: (-0.11 0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -4.143 5.863 14.477) 16.159 1.375 ( 10.292 5.241 8.966) 14.621 1.447 ( -1.846 6.968 6.712) 9.849 1.790 ( -4.993 1.411 -17.002) 17.776 2.090 ( 2.891 -1.390 1.614) 3.591 2.174 ( -2.837 2.501 -6.222) 7.281 2.489 ( -1.669 -1.748 3.912) 4.598 2.613 ( 0.539 0.875 -7.990) 8.056 3.146 ( -3.356 6.131 28.350) 29.199 3.410 ( 0.817 -3.111 6.057) 6.858 3.554 ( 0.381 1.952 -4.378) 4.809 3.701 ( -0.544 2.024 7.025) 7.331 3.833 ( 4.472 -1.042 -12.805) 13.604 4.019 ( -0.560 -1.051 -8.274) 8.359 4.095 ( 3.741 -6.412 5.404) 9.183 4.199 ( -0.289 -7.135 -2.675) 7.626 4.257 ( -4.566 0.251 7.786) 9.030 4.405 ( 5.226 -2.899 -3.919) 7.147 4.543 ( -1.611 2.986 7.661) 8.378 4.689 ( -4.584 -0.994 -1.987) 5.094 4.728 ( 2.243 1.685 -5.788) 6.432 4.756 ( -1.269 1.497 -1.997) 2.801 5.305 ( -0.339 -1.276 -1.637) 2.103 5.393 ( 1.351 2.332 -8.560) 8.974 6.008 ( 0.433 1.482 5.304) 5.524 6.099 ( -0.601 1.229 -3.418) 3.681 6.822 ( -0.137 1.650 2.708) 3.174 6.864 ( 0.347 1.296 -1.197) 1.798 7.188 ( -0.496 -1.237 5.552) 5.709 7.334 ( -0.096 -1.119 -7.953) 8.032 7.842 ( 8.173 -11.823 11.671) 18.515 8.068 ( -7.350 -11.409 -10.013) 16.866 8.673 ( -0.145 0.939 8.339) 8.393 8.844 ( 0.120 -0.851 -7.735) 7.782 9.247 ( 0.365 0.219 3.104) 3.133 9.289 ( 0.807 -0.432 -0.400) 0.999 9.504 ( 1.604 -0.795 2.935) 3.438 9.588 ( -2.917 3.426 -4.882) 6.639 10.487 ( 0.840 4.103 3.797) 5.654 10.550 ( -0.963 -0.064 -2.219) 2.420 11.075 ( 2.167 -4.282 3.355) 5.855 11.146 ( -2.415 -0.618 -2.978) 3.883 11.458 ( -1.236 1.463 0.896) 2.114 11.488 ( 2.148 3.240 -2.055) 4.397 12.246 ( -0.476 -6.866 9.345) 11.605 12.410 ( 2.445 -7.773 -6.437) 10.384 12.852 ( 3.590 2.420 1.027) 4.450 12.873 ( 0.232 2.818 -0.831) 2.947 13.049 ( -6.227 1.924 1.625) 6.717 13.123 ( 1.731 3.026 -5.546) 6.551 13.474 ( 6.794 1.993 6.431) 9.565 13.612 ( -9.846 3.663 -6.631) 12.423 16.037 ( -0.650 0.304 6.813) 6.851 16.164 ( 0.361 0.419 -5.172) 5.202 ======================= Grid point 275 (133/160) ======================= q-point: ( 0.22 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 8.974 -0.000 2.935) 9.442 1.923 ( 7.275 -0.000 3.625) 8.128 1.955 ( 1.002 -0.000 2.222) 2.438 2.150 ( 3.982 -0.000 -1.663) 4.316 2.524 ( 1.776 -0.000 -0.057) 1.776 2.591 ( 9.267 -0.000 -1.129) 9.335 2.833 ( 15.361 -0.000 -1.697) 15.454 3.010 ( 0.790 -0.000 14.921) 14.942 3.293 ( 0.676 -0.000 3.987) 4.044 3.426 ( -2.905 0.000 7.579) 8.117 3.481 ( -10.687 0.000 -4.902) 11.758 3.501 ( -1.096 0.000 2.217) 2.473 3.680 ( -2.436 0.000 -2.387) 3.411 3.899 ( -5.545 0.000 -0.254) 5.551 4.050 ( -3.157 0.000 -3.126) 4.443 4.075 ( -4.519 0.000 4.907) 6.671 4.189 ( -0.596 0.000 9.624) 9.643 4.330 ( 3.700 -0.000 1.988) 4.200 4.432 ( 3.289 -0.000 -8.731) 9.330 4.598 ( -1.558 0.000 -2.152) 2.656 4.842 ( -1.873 0.000 -8.533) 8.736 4.882 ( 4.208 -0.000 -5.643) 7.040 5.191 ( -3.514 0.000 3.466) 4.936 5.381 ( 0.066 -0.000 -7.568) 7.568 6.089 ( 1.499 -0.000 3.815) 4.099 6.111 ( 1.856 -0.000 -4.015) 4.424 6.680 ( -6.997 0.000 11.153) 13.166 6.708 ( 1.171 -0.000 -2.484) 2.746 6.794 ( -8.182 0.000 18.703) 20.414 7.166 ( -3.642 0.000 -20.290) 20.614 7.209 ( -1.328 0.000 4.062) 4.274 7.421 ( -1.817 0.000 -6.521) 6.769 8.984 ( -3.512 0.000 -3.887) 5.238 9.109 ( 0.452 -0.000 3.515) 3.544 9.315 ( -1.726 0.000 5.786) 6.038 9.448 ( 2.555 -0.000 3.831) 4.605 9.460 ( 0.559 -0.000 -6.403) 6.428 9.737 ( 5.419 -0.000 6.739) 8.648 10.330 ( 0.836 -0.000 5.306) 5.371 10.455 ( -2.850 0.000 -9.008) 9.448 10.682 ( -1.938 0.000 6.660) 6.937 11.060 ( 3.419 -0.000 -9.594) 10.185 11.565 ( 1.125 -0.000 -3.590) 3.762 11.682 ( 3.002 -0.000 0.694) 3.081 12.130 ( -2.140 0.000 6.577) 6.917 12.133 ( -2.918 0.000 7.306) 7.867 12.455 ( 0.231 -0.000 -3.293) 3.301 12.467 ( 0.763 -0.000 -2.216) 2.344 13.219 ( 3.234 -0.000 3.276) 4.603 13.362 ( 0.032 -0.000 -3.851) 3.851 14.394 ( -0.123 0.000 14.480) 14.481 14.600 ( 5.423 -0.000 -16.646) 17.508 15.891 ( -0.536 0.000 7.610) 7.629 16.046 ( -0.377 0.000 -5.176) 5.189 ======================= Grid point 276 (134/160) ======================= q-point: ( 0.33 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 10.132 -1.586 3.255) 10.760 1.902 ( -5.401 -1.261 -0.085) 5.547 2.040 ( 3.555 0.685 3.275) 4.881 2.154 ( -2.272 1.196 3.288) 4.172 2.532 ( 0.167 1.779 -5.479) 5.763 2.730 ( 5.852 -0.125 0.873) 5.918 3.004 ( 1.682 1.241 -2.088) 2.954 3.024 ( -0.819 -2.740 9.201) 9.636 3.179 ( -9.776 1.706 3.334) 10.468 3.336 ( -0.294 -1.960 0.368) 2.016 3.431 ( -8.415 0.298 -4.142) 9.384 3.447 ( 1.558 -0.109 3.149) 3.515 3.671 ( 3.282 6.583 3.782) 8.271 3.829 ( -2.712 -4.005 3.703) 6.091 3.952 ( -5.440 1.861 4.430) 7.258 4.034 ( -4.025 -5.748 -0.600) 7.043 4.233 ( 4.596 -0.675 14.353) 15.086 4.387 ( 2.294 0.841 -1.952) 3.127 4.505 ( 3.785 0.624 -9.646) 10.381 4.555 ( -2.430 -0.585 0.107) 2.501 4.798 ( -0.967 2.591 -8.583) 9.018 4.929 ( 0.371 -0.647 -10.910) 10.936 5.168 ( 0.595 -1.232 6.400) 6.545 5.383 ( 0.462 0.328 -7.958) 7.978 6.109 ( 1.162 0.903 3.127) 3.456 6.145 ( 1.862 -0.159 -4.246) 4.639 6.531 ( -6.121 0.107 24.461) 25.216 6.766 ( 3.610 0.312 0.170) 3.627 6.779 ( 3.564 -0.488 4.167) 5.505 7.126 ( -0.478 -0.335 -17.330) 17.340 7.210 ( 0.730 -0.185 0.843) 1.131 7.394 ( -1.613 -0.966 -6.939) 7.189 8.915 ( -3.846 0.167 -2.712) 4.709 9.104 ( -1.050 0.209 2.085) 2.344 9.268 ( -3.700 -0.605 7.646) 8.516 9.450 ( -1.471 0.175 -6.014) 6.194 9.487 ( 0.851 -0.516 5.048) 5.145 9.833 ( 4.254 -1.041 5.188) 6.790 10.361 ( 3.270 0.937 1.947) 3.919 10.400 ( -2.399 0.045 -7.740) 8.103 10.676 ( 0.370 -0.494 7.789) 7.813 11.120 ( 4.100 1.171 -11.391) 12.163 11.559 ( -1.144 0.744 -2.860) 3.169 11.711 ( 0.427 0.126 0.550) 0.708 12.072 ( -2.919 1.182 6.926) 7.608 12.113 ( -1.884 -2.309 5.120) 5.924 12.496 ( 4.832 0.575 -1.092) 4.988 12.514 ( 4.144 -0.061 -3.044) 5.142 13.289 ( 4.980 0.251 2.515) 5.585 13.368 ( 0.775 0.125 -3.471) 3.559 14.304 ( -10.127 0.235 12.389) 16.003 14.582 ( -7.070 -0.688 -14.067) 15.759 15.908 ( 2.221 0.084 7.373) 7.701 16.059 ( 1.840 0.101 -5.183) 5.501 ======================= Grid point 277 (135/160) ======================= q-point: (-0.56 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.151 3.635 2.524) 6.067 1.818 ( -5.790 -3.820 0.356) 6.946 2.001 ( -4.889 5.134 6.298) 9.483 2.101 ( -2.557 0.500 3.077) 4.032 2.469 ( -5.514 2.167 -9.143) 10.894 2.751 ( -2.895 4.100 3.097) 5.898 2.886 ( -8.689 3.823 -3.345) 10.065 2.983 ( -8.412 -2.419 -5.338) 10.252 3.091 ( -0.101 -3.101 5.648) 6.444 3.260 ( -6.332 -0.356 3.703) 7.344 3.443 ( 4.835 -3.826 1.213) 6.284 3.501 ( 2.347 -1.664 -1.606) 3.295 3.661 ( 1.777 2.453 7.796) 8.364 3.856 ( -0.301 -3.314 6.263) 7.092 3.898 ( 1.807 0.835 4.552) 4.968 4.043 ( -0.773 -4.741 0.364) 4.817 4.268 ( -1.792 4.090 13.236) 13.969 4.419 ( 2.645 -0.436 -5.194) 5.845 4.485 ( -0.734 1.317 3.176) 3.516 4.581 ( 0.901 -2.493 -8.593) 8.993 4.774 ( 1.320 2.543 -7.987) 8.485 4.912 ( -2.213 -0.835 -9.912) 10.191 5.223 ( 3.027 -1.675 5.177) 6.227 5.389 ( 1.109 0.711 -8.746) 8.844 6.111 ( 0.840 2.222 3.177) 3.967 6.160 ( 0.065 0.218 -2.847) 2.856 6.536 ( 4.511 -2.985 23.137) 23.761 6.809 ( 3.603 1.751 3.893) 5.586 6.882 ( 6.640 0.114 -0.100) 6.642 7.135 ( -0.257 -1.897 -5.328) 5.661 7.244 ( 3.012 -0.235 -8.782) 9.287 7.397 ( 0.292 -3.822 -8.863) 9.657 8.858 ( -3.251 -0.631 -1.896) 3.815 9.065 ( -3.896 -0.355 0.917) 4.018 9.216 ( -3.497 -1.446 8.272) 9.096 9.407 ( -3.020 0.561 -4.061) 5.092 9.492 ( -0.128 0.223 5.269) 5.275 9.873 ( -0.615 0.046 0.391) 0.730 10.390 ( 2.649 -0.073 -2.847) 3.889 10.434 ( 5.519 0.913 -1.746) 5.860 10.700 ( 1.624 -0.535 8.235) 8.411 11.158 ( 1.879 1.402 -11.332) 11.572 11.525 ( -1.152 1.212 -1.858) 2.500 11.694 ( -1.763 1.043 0.473) 2.102 12.025 ( -1.988 0.037 6.597) 6.890 12.113 ( -1.579 -3.610 3.043) 4.978 12.586 ( 5.982 1.428 -3.810) 7.235 12.599 ( 6.973 1.404 1.277) 7.227 13.366 ( 3.910 1.612 2.124) 4.733 13.385 ( 2.370 0.967 -3.612) 4.427 14.076 ( -15.964 0.155 9.457) 18.555 14.395 ( -16.035 -3.163 -11.502) 19.986 15.957 ( 3.358 0.327 7.055) 7.820 16.096 ( 2.768 0.388 -5.238) 5.937 ======================= Grid point 278 (136/160) ======================= q-point: (-0.44 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -2.511 6.863 3.709) 8.195 1.783 ( -2.710 -0.585 1.475) 3.140 1.826 ( -7.422 8.524 8.080) 13.893 2.040 ( -4.158 0.136 2.733) 4.978 2.307 ( -10.043 2.938 -10.903) 15.112 2.574 ( -11.960 2.839 -0.170) 12.294 2.736 ( -3.789 3.815 -5.026) 7.361 2.788 ( -10.524 4.413 -5.732) 12.770 3.181 ( 2.538 -5.190 6.498) 8.695 3.258 ( 2.633 -3.178 7.683) 8.721 3.521 ( 0.475 -4.623 -3.626) 5.895 3.580 ( 3.555 -4.249 7.523) 9.343 3.691 ( 1.342 -2.400 6.187) 6.771 3.876 ( -0.839 -3.128 3.488) 4.760 3.965 ( 3.573 0.792 -0.880) 3.764 4.094 ( 4.377 1.475 0.288) 4.628 4.161 ( -3.540 2.976 12.276) 13.118 4.389 ( -2.634 2.385 -0.572) 3.599 4.517 ( 1.671 0.063 -2.078) 2.667 4.626 ( 0.492 -5.556 -3.276) 6.468 4.777 ( 1.388 1.929 -8.086) 8.428 4.875 ( -2.945 -0.792 -8.130) 8.683 5.279 ( 1.781 -0.729 4.944) 5.306 5.405 ( 2.088 1.181 -9.490) 9.788 6.098 ( 0.524 2.878 3.423) 4.502 6.155 ( 0.007 0.594 -1.762) 1.860 6.708 ( 8.869 -4.763 17.969) 20.597 6.853 ( 3.593 2.405 3.652) 5.660 7.006 ( 8.378 -1.232 1.723) 8.642 7.144 ( -0.726 -2.190 1.964) 3.030 7.279 ( 0.603 -0.701 -9.182) 9.228 7.505 ( 5.092 -8.577 -13.099) 16.464 8.809 ( -3.478 -0.563 -0.097) 3.525 8.980 ( -6.647 -1.180 -0.634) 6.780 9.187 ( -2.166 -2.313 7.350) 8.004 9.345 ( -3.180 0.627 -2.589) 4.148 9.490 ( 0.669 1.094 5.476) 5.624 9.823 ( -3.520 1.596 -4.280) 5.767 10.471 ( 5.573 -0.243 1.443) 5.762 10.525 ( 6.723 2.540 -3.011) 7.792 10.752 ( 3.416 -1.875 8.133) 9.018 11.153 ( -1.041 0.130 -9.784) 9.840 11.509 ( 1.156 1.878 -2.126) 3.063 11.636 ( -3.060 2.050 0.947) 3.803 12.011 ( -0.723 -1.684 6.452) 6.707 12.132 ( -1.005 -5.082 1.032) 5.282 12.668 ( 6.391 2.319 -3.490) 7.642 12.714 ( 8.933 2.976 2.324) 9.698 13.378 ( 0.266 2.039 -1.823) 2.748 13.405 ( 0.050 2.739 0.769) 2.845 13.794 ( -15.517 1.697 5.403) 16.518 14.125 ( -19.653 -5.416 -9.604) 22.534 16.009 ( 2.797 0.416 6.911) 7.467 16.136 ( 2.533 0.611 -5.343) 5.945 ======================= Grid point 279 (137/160) ======================= q-point: (-0.33 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.257 6.034 9.121) 10.939 1.618 ( -4.755 11.122 8.178) 14.601 1.717 ( -2.238 5.278 1.830) 6.018 1.966 ( -4.310 1.465 -2.959) 5.429 2.098 ( -9.301 1.907 -5.650) 11.048 2.348 ( -11.181 0.866 -7.037) 13.240 2.603 ( -5.486 5.328 2.576) 8.070 2.672 ( -0.181 3.327 -7.394) 8.110 3.230 ( -0.946 -3.841 10.556) 11.273 3.345 ( 2.866 -0.691 5.468) 6.212 3.588 ( 1.141 -3.947 0.505) 4.140 3.698 ( 4.520 -6.390 8.391) 11.475 3.733 ( 2.386 1.070 9.726) 10.072 3.865 ( -5.360 -3.131 5.700) 8.428 3.956 ( 0.625 -1.460 -14.360) 14.448 4.107 ( -1.354 1.446 1.925) 2.763 4.217 ( 8.234 -0.585 -0.331) 8.262 4.328 ( -2.219 1.389 3.391) 4.284 4.540 ( 1.542 -0.833 0.821) 1.935 4.675 ( -1.368 -4.529 -1.339) 4.917 4.769 ( -0.550 1.268 -7.951) 8.070 4.829 ( -2.185 0.488 -6.680) 7.045 5.296 ( -0.106 -0.023 4.628) 4.629 5.427 ( 2.267 1.778 -9.890) 10.301 6.075 ( 0.037 2.973 4.247) 5.184 6.147 ( 0.093 1.246 -2.321) 2.636 6.857 ( 4.375 -0.609 6.507) 7.865 6.878 ( 2.055 2.565 3.773) 5.004 7.138 ( -0.263 -2.775 5.808) 6.442 7.252 ( 10.068 -9.162 5.310) 14.612 7.295 ( 2.182 -1.719 -5.880) 6.502 7.684 ( 2.973 -12.705 -12.332) 17.954 8.746 ( -3.700 0.628 3.836) 5.366 8.882 ( -5.730 -1.252 -3.818) 6.998 9.190 ( -0.740 -2.862 5.520) 6.262 9.297 ( -1.775 0.059 -2.237) 2.856 9.494 ( 1.252 1.627 6.516) 6.832 9.742 ( -3.328 2.629 -6.326) 7.617 10.546 ( 2.986 0.827 2.824) 4.192 10.592 ( 5.028 4.846 -1.907) 7.239 10.860 ( 5.026 -4.493 7.137) 9.817 11.133 ( -1.653 -1.704 -7.686) 8.045 11.525 ( 3.034 2.346 -3.407) 5.130 11.560 ( -3.159 2.379 1.754) 4.327 12.039 ( 0.838 -3.901 7.014) 8.070 12.178 ( -0.534 -6.835 -1.496) 7.017 12.770 ( 9.081 2.808 -1.396) 9.607 12.846 ( 10.729 4.122 1.733) 11.624 13.297 ( -10.245 1.158 2.289) 10.561 13.312 ( -7.396 2.253 -4.523) 8.957 13.572 ( -5.428 4.683 4.278) 8.348 13.865 ( -14.649 -2.614 -8.803) 17.290 16.042 ( 1.302 0.418 6.883) 7.017 16.165 ( 1.639 0.666 -5.376) 5.660 ======================= Grid point 280 (138/160) ======================= q-point: (-0.22 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.322 7.490 14.027) 15.905 1.517 ( 5.914 8.972 6.159) 12.386 1.616 ( -0.465 9.605 3.554) 10.252 1.827 ( -6.285 2.402 -12.184) 13.919 2.066 ( 3.983 -1.017 3.444) 5.363 2.210 ( -2.886 1.009 -10.188) 10.637 2.495 ( -2.694 2.875 6.495) 7.597 2.646 ( 0.352 2.709 -7.800) 8.265 3.239 ( -0.426 0.933 18.677) 18.705 3.367 ( 0.185 -0.094 4.891) 4.895 3.584 ( -1.676 1.616 0.480) 2.378 3.735 ( 0.763 1.439 14.557) 14.648 3.805 ( -0.211 -3.086 -5.309) 6.145 3.916 ( 4.025 -10.792 5.179) 12.629 4.007 ( 1.229 -2.793 -10.744) 11.169 4.064 ( -2.713 -2.939 -7.535) 8.531 4.273 ( -3.040 1.474 3.530) 4.886 4.361 ( 7.039 -1.261 -1.472) 7.300 4.577 ( 1.191 0.120 6.754) 6.859 4.659 ( -3.760 -1.838 -2.917) 5.101 4.743 ( -0.727 -0.003 -5.109) 5.160 4.796 ( -0.326 1.916 -5.633) 5.958 5.287 ( -1.021 -0.514 2.699) 2.931 5.438 ( 1.405 2.227 -9.852) 10.198 6.048 ( -0.029 2.497 5.053) 5.636 6.130 ( -0.294 1.806 -2.804) 3.348 6.867 ( -0.093 2.878 3.106) 4.235 6.891 ( 0.384 1.206 1.492) 1.956 7.153 ( -0.526 -2.325 5.644) 6.126 7.303 ( -0.056 -2.067 -7.897) 8.163 7.567 ( 6.373 -14.999 10.988) 19.655 7.803 ( -5.427 -14.561 -11.232) 19.174 8.697 ( 0.202 1.523 6.700) 6.874 8.828 ( -1.152 -0.826 -5.529) 5.707 9.218 ( 0.776 -2.656 3.838) 4.732 9.288 ( 0.617 -0.289 -2.290) 2.389 9.508 ( 2.098 1.341 7.120) 7.543 9.658 ( -3.010 3.448 -6.686) 8.102 10.555 ( -1.000 0.760 2.216) 2.547 10.590 ( 1.091 6.031 -0.242) 6.134 10.978 ( 2.171 -5.502 6.031) 8.447 11.121 ( -2.411 -1.991 -5.933) 6.706 11.492 ( -2.406 1.841 1.897) 3.575 11.551 ( 2.586 2.833 -3.809) 5.406 12.110 ( 0.694 -6.351 8.187) 10.385 12.246 ( 0.239 -8.314 -4.778) 9.592 12.907 ( 6.457 3.043 1.425) 7.279 12.935 ( -3.998 3.342 -1.160) 5.339 13.087 ( -7.068 1.819 2.480) 7.708 13.180 ( 4.654 2.641 -6.327) 8.287 13.524 ( 2.844 2.852 7.579) 8.583 13.689 ( -4.725 3.913 -8.333) 10.348 16.045 ( -0.503 0.483 6.923) 6.958 16.175 ( 0.291 0.602 -5.244) 5.287 ======================= Grid point 281 (139/160) ======================= q-point: (-0.11 0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -1.145 9.778 8.029) 12.704 1.541 ( 5.041 7.770 12.543) 15.592 1.638 ( 12.290 5.532 0.227) 13.479 1.777 ( 2.582 1.012 -8.546) 8.985 2.125 ( 3.475 1.309 -5.027) 6.250 2.270 ( 8.381 1.999 -0.138) 8.617 2.486 ( 3.965 -2.029 4.447) 6.294 2.628 ( 0.374 1.471 -5.269) 5.483 3.190 ( -0.446 7.502 24.241) 25.379 3.396 ( 1.340 -3.933 5.670) 7.029 3.555 ( -1.392 -0.501 -3.359) 3.670 3.725 ( 0.671 1.044 5.447) 5.586 3.858 ( 0.308 -5.471 -1.437) 5.665 4.000 ( -2.398 -3.758 -0.849) 4.538 4.009 ( -2.542 -1.360 -9.492) 9.921 4.139 ( 2.796 -8.342 -1.532) 8.931 4.207 ( -2.321 2.027 -1.681) 3.511 4.465 ( 2.939 -1.830 0.594) 3.513 4.549 ( -1.917 4.262 6.981) 8.401 4.602 ( -3.310 -0.550 -3.503) 4.851 4.745 ( 0.219 1.118 0.195) 1.155 4.793 ( 2.058 -0.071 -5.897) 6.246 5.281 ( -0.832 -1.550 0.072) 1.761 5.428 ( 0.171 2.150 -9.434) 9.677 6.032 ( 0.449 1.564 5.297) 5.542 6.106 ( -0.353 1.716 -3.013) 3.485 6.824 ( -1.879 2.237 2.827) 4.065 6.861 ( -2.313 1.279 -0.062) 2.644 7.167 ( -0.510 -2.017 5.536) 5.914 7.314 ( -0.859 -1.438 -5.861) 6.096 7.684 ( -9.442 -12.564 9.676) 18.456 7.754 ( -14.354 -10.985 -10.651) 20.979 8.761 ( 7.407 -0.925 5.320) 9.166 8.866 ( 4.101 -1.636 -3.540) 5.659 9.263 ( 1.934 -1.188 2.804) 3.608 9.318 ( 2.639 0.025 -2.725) 3.794 9.540 ( 1.669 1.935 2.782) 3.778 9.580 ( -1.048 2.227 -1.902) 3.111 10.502 ( -4.006 1.370 1.109) 4.377 10.530 ( -1.816 3.630 1.025) 4.187 11.017 ( -4.695 -3.216 2.460) 6.200 11.074 ( -3.579 -1.735 -2.558) 4.729 11.451 ( -0.524 0.808 0.470) 1.072 11.555 ( 2.033 3.492 -2.527) 4.766 12.159 ( -1.802 -5.586 6.469) 8.735 12.320 ( -2.578 -7.828 -2.606) 8.644 12.685 ( -12.639 3.211 0.768) 13.063 12.806 ( -8.371 4.792 -2.564) 9.980 13.126 ( 5.695 2.116 4.611) 7.627 13.401 ( 9.968 1.200 -6.230) 11.816 13.592 ( 14.154 2.460 -3.549) 14.798 13.726 ( 14.327 1.498 4.130) 14.986 16.019 ( -2.047 0.574 7.044) 7.358 16.160 ( -1.309 0.509 -5.029) 5.222 ======================= Grid point 285 (140/160) ======================= q-point: (-0.67 0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 9.601 -0.000 3.658) 10.274 1.769 ( -8.897 0.000 -0.437) 8.908 2.068 ( -1.361 0.000 5.377) 5.546 2.097 ( -4.547 0.000 4.443) 6.357 2.489 ( -5.768 0.000 -9.168) 10.832 2.796 ( -2.754 0.000 3.582) 4.518 2.926 ( -8.011 0.000 -2.220) 8.313 2.955 ( -3.745 0.000 -4.552) 5.894 3.065 ( -3.195 0.000 5.659) 6.499 3.261 ( -8.521 0.000 2.022) 8.757 3.394 ( 5.947 -0.000 -0.173) 5.950 3.482 ( 0.448 -0.000 0.036) 0.450 3.719 ( -3.690 0.000 1.851) 4.128 3.780 ( 0.597 -0.000 6.022) 6.051 3.934 ( 1.233 -0.000 3.492) 3.704 3.975 ( 2.853 -0.000 10.154) 10.547 4.327 ( 5.557 -0.000 10.376) 11.770 4.397 ( -1.641 0.000 -0.445) 1.700 4.499 ( -2.620 0.000 3.953) 4.742 4.557 ( 1.161 -0.000 -13.975) 14.024 4.806 ( 0.507 -0.000 -9.779) 9.792 4.902 ( -2.406 0.000 -10.362) 10.638 5.203 ( 3.505 -0.000 6.628) 7.498 5.396 ( 1.193 -0.000 -8.784) 8.864 6.135 ( 1.158 -0.000 2.505) 2.760 6.162 ( 0.227 -0.000 -2.905) 2.914 6.504 ( 2.949 -0.000 24.239) 24.418 6.831 ( 3.954 -0.000 6.003) 7.188 6.881 ( 7.208 -0.000 -1.649) 7.394 7.114 ( -0.529 0.000 -7.079) 7.099 7.247 ( 3.862 -0.000 -10.469) 11.158 7.354 ( -2.144 0.000 -6.244) 6.602 8.851 ( -3.401 0.000 -2.662) 4.319 9.061 ( -4.328 0.000 1.517) 4.586 9.201 ( -3.716 0.000 8.288) 9.083 9.412 ( -2.915 0.000 -6.650) 7.261 9.494 ( 0.447 -0.000 7.356) 7.369 9.873 ( 0.318 -0.000 1.690) 1.719 10.388 ( 2.081 -0.000 -3.904) 4.424 10.444 ( 5.820 -0.000 -1.381) 5.981 10.695 ( 1.636 -0.000 8.649) 8.802 11.171 ( 1.120 -0.000 -11.675) 11.728 11.538 ( -1.132 0.000 -2.602) 2.837 11.705 ( -1.290 0.000 0.636) 1.439 12.037 ( -2.509 0.000 6.876) 7.320 12.063 ( -1.915 0.000 2.883) 3.461 12.601 ( 5.802 -0.000 -4.188) 7.156 12.612 ( 8.012 -0.000 1.824) 8.217 13.388 ( 1.510 -0.000 -2.692) 3.086 13.388 ( 5.835 -0.000 1.107) 5.939 14.078 ( -15.714 0.000 9.044) 18.131 14.363 ( -17.019 0.000 -10.505) 20.000 15.961 ( 3.397 -0.000 7.020) 7.799 16.100 ( 2.836 -0.000 -5.219) 5.940 ======================= Grid point 287 (141/160) ======================= q-point: (-0.56 0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -5.479 4.245 3.008) 7.556 1.736 ( 2.818 -2.984 1.974) 4.554 1.974 ( -4.941 5.618 7.171) 10.363 2.039 ( -4.004 -0.937 4.263) 5.923 2.344 ( -10.248 0.947 -10.306) 14.565 2.609 ( -14.144 0.725 -1.339) 14.226 2.797 ( -4.894 2.145 -2.971) 6.114 2.875 ( -6.562 3.076 -6.493) 9.731 3.112 ( 5.365 -1.746 5.219) 7.686 3.203 ( 1.507 -1.805 7.539) 7.897 3.450 ( -3.533 -2.263 -5.087) 6.594 3.512 ( 5.699 -2.496 4.933) 7.940 3.656 ( -2.749 0.266 4.819) 5.554 3.783 ( -2.501 -4.657 2.122) 5.696 4.010 ( 6.961 2.216 4.167) 8.410 4.067 ( 5.117 -1.712 12.754) 13.849 4.293 ( -2.574 7.672 5.854) 9.987 4.425 ( -0.117 -0.994 -2.488) 2.682 4.483 ( 0.548 -3.067 8.406) 8.964 4.551 ( -1.259 -0.816 -13.579) 13.661 4.807 ( 0.383 1.014 -9.988) 10.046 4.856 ( -3.156 -0.912 -9.653) 10.196 5.265 ( 2.799 -0.536 6.567) 7.159 5.422 ( 2.303 0.476 -9.589) 9.873 6.144 ( 0.589 1.471 2.770) 3.192 6.162 ( 0.223 0.178 -1.020) 1.059 6.625 ( 8.318 -2.737 21.937) 23.620 6.895 ( 4.083 1.521 5.421) 6.955 6.997 ( 6.272 -0.104 -1.727) 6.506 7.107 ( -0.752 -1.235 -0.604) 1.567 7.291 ( 0.735 2.125 -9.794) 10.049 7.366 ( 2.490 -5.580 -12.207) 13.650 8.803 ( -2.415 -0.110 -2.184) 3.258 8.963 ( -7.150 -0.514 1.669) 7.360 9.154 ( -2.515 -0.977 7.604) 8.068 9.353 ( -3.595 0.219 -6.159) 7.135 9.509 ( 1.443 0.628 8.135) 8.285 9.843 ( -3.003 0.496 -3.115) 4.356 10.468 ( 6.526 -0.033 1.286) 6.651 10.554 ( 7.322 0.608 -3.951) 8.342 10.731 ( 2.269 -0.420 8.605) 8.909 11.152 ( -2.811 -0.084 -9.738) 10.136 11.534 ( 1.165 0.661 -3.216) 3.484 11.667 ( -2.605 0.943 0.805) 2.885 11.997 ( -1.667 0.253 5.799) 6.039 12.051 ( -1.517 -2.888 1.911) 3.781 12.700 ( 6.608 0.903 -3.281) 7.433 12.755 ( 9.397 1.124 2.287) 9.737 13.407 ( 0.681 0.853 -2.295) 2.541 13.443 ( -0.917 1.018 2.148) 2.547 13.827 ( -11.587 1.323 2.343) 11.896 14.042 ( -20.741 -2.673 -6.231) 21.821 16.015 ( 2.751 0.179 6.891) 7.422 16.145 ( 2.537 0.231 -5.328) 5.905 ======================= Grid point 288 (142/160) ======================= q-point: (-0.44 0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.198 3.675 8.128) 9.001 1.767 ( -0.345 2.249 -2.150) 3.131 1.830 ( -2.863 7.638 9.295) 12.366 1.991 ( -1.227 0.884 3.768) 4.060 2.138 ( -11.546 1.816 -8.664) 14.549 2.370 ( -11.684 1.400 -7.113) 13.750 2.713 ( -4.519 5.044 0.213) 6.776 2.742 ( -1.242 3.396 -3.292) 4.890 3.169 ( 0.613 -1.956 7.028) 7.321 3.321 ( 4.861 -1.188 0.518) 5.031 3.466 ( 2.910 -7.379 -2.192) 8.229 3.617 ( 2.745 -1.221 10.783) 11.194 3.648 ( -0.995 -6.735 2.960) 7.424 3.789 ( -2.652 -4.908 2.207) 5.999 4.030 ( -1.045 6.425 3.551) 7.415 4.139 ( -0.727 0.434 9.120) 9.159 4.239 ( 6.507 3.494 3.825) 8.318 4.383 ( -1.403 3.234 -6.556) 7.444 4.515 ( -0.313 -2.281 3.662) 4.326 4.581 ( 1.274 -4.184 -4.544) 6.307 4.778 ( -2.972 0.151 -8.920) 9.403 4.827 ( -0.874 -0.752 -10.303) 10.367 5.297 ( 0.440 0.045 7.099) 7.112 5.455 ( 2.436 1.000 -9.970) 10.312 6.129 ( -0.154 2.359 3.530) 4.248 6.167 ( 0.639 0.681 -1.161) 1.490 6.803 ( 6.690 -4.017 18.466) 20.047 6.934 ( 2.623 2.718 4.420) 5.814 7.087 ( 1.567 -1.924 0.484) 2.528 7.134 ( 3.640 -3.324 1.179) 5.069 7.277 ( 0.014 -0.012 -7.271) 7.271 7.476 ( 1.500 -8.411 -14.382) 16.728 8.764 ( -1.759 1.086 0.669) 2.172 8.855 ( -5.842 -1.367 -0.417) 6.014 9.140 ( -0.926 -2.004 6.476) 6.842 9.295 ( -2.638 -0.103 -5.462) 6.067 9.529 ( 1.826 1.567 8.669) 8.997 9.780 ( -3.043 1.293 -5.632) 6.531 10.566 ( 4.374 1.201 4.338) 6.276 10.663 ( 6.263 1.782 -5.938) 8.812 10.792 ( 3.502 -2.000 8.890) 9.762 11.098 ( -3.616 -1.647 -8.210) 9.121 11.558 ( 2.622 1.120 -4.018) 4.926 11.602 ( -3.409 1.746 1.556) 4.134 11.986 ( -0.482 -1.596 5.700) 5.938 12.066 ( -0.879 -4.364 0.039) 4.452 12.815 ( 8.933 1.752 -0.999) 9.157 12.909 ( 10.664 2.272 1.153) 10.965 13.311 ( -11.794 0.461 5.335) 12.952 13.354 ( -7.343 1.708 -6.525) 9.971 13.656 ( -6.858 3.996 2.946) 8.467 13.812 ( -7.447 -2.863 -6.650) 10.386 16.049 ( 1.304 0.293 6.899) 7.028 16.176 ( 1.563 0.415 -5.388) 5.625 ======================= Grid point 289 (143/160) ======================= q-point: (-0.33 0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 3.527 5.563 11.969) 13.662 1.689 ( 1.009 7.529 -0.805) 7.639 1.778 ( 1.727 6.064 4.666) 7.844 1.894 ( -7.714 5.070 -5.099) 10.546 2.055 ( 5.534 -0.059 3.627) 6.617 2.220 ( -4.212 0.402 -10.906) 11.698 2.586 ( -3.361 5.627 6.536) 9.256 2.713 ( 0.532 3.825 -5.566) 6.774 3.204 ( 1.192 -2.346 9.248) 9.615 3.361 ( 0.163 -1.712 -4.228) 4.564 3.613 ( 3.440 0.317 8.769) 9.425 3.669 ( -6.245 -9.996 1.741) 11.914 3.712 ( 4.148 -8.337 2.453) 9.629 3.779 ( 0.153 0.971 12.631) 12.669 3.945 ( -1.916 0.825 -4.593) 5.045 4.097 ( -1.308 2.480 3.635) 4.590 4.303 ( -0.161 0.789 -3.671) 3.758 4.375 ( 5.519 3.297 -3.388) 7.267 4.542 ( -0.387 -3.529 6.226) 7.167 4.629 ( 1.237 -1.111 -4.969) 5.240 4.733 ( -1.723 -0.892 -5.586) 5.913 4.816 ( -0.978 -0.002 -9.818) 9.866 5.285 ( -1.522 0.239 6.745) 6.919 5.474 ( 1.222 1.374 -10.023) 10.190 6.099 ( -0.539 2.539 4.405) 5.113 6.163 ( 0.138 1.491 -1.756) 2.308 6.895 ( 0.766 -1.137 10.516) 10.605 6.930 ( 0.279 3.312 3.255) 4.652 7.105 ( -0.731 -2.366 3.769) 4.510 7.246 ( 0.920 -4.672 -4.403) 6.485 7.332 ( 3.905 -7.208 3.036) 8.742 7.547 ( -4.544 -11.209 -13.636) 18.227 8.728 ( -0.511 1.477 4.670) 4.925 8.812 ( -0.338 -0.805 -3.290) 3.403 9.164 ( 0.890 -2.648 5.263) 5.959 9.274 ( -0.188 -0.887 -5.101) 5.181 9.546 ( 2.299 2.149 9.240) 9.761 9.714 ( -2.775 2.221 -6.505) 7.413 10.579 ( -1.046 1.761 4.774) 5.194 10.701 ( 1.579 4.559 -5.990) 7.691 10.876 ( 2.024 -4.263 9.176) 10.318 11.072 ( -2.251 -2.926 -7.768) 8.601 11.526 ( -3.264 1.623 2.361) 4.343 11.593 ( 2.758 1.568 -4.177) 5.246 12.014 ( 0.392 -3.653 6.253) 7.253 12.109 ( 0.314 -5.651 -2.317) 6.116 12.962 ( 7.999 2.488 1.645) 8.536 12.994 ( -6.151 2.614 -1.352) 6.818 13.116 ( -6.948 1.104 3.262) 7.754 13.221 ( 5.279 1.595 -6.627) 8.622 13.575 ( -0.016 2.198 8.103) 8.396 13.753 ( -1.064 2.519 -8.879) 9.291 16.055 ( -0.356 0.440 6.958) 6.981 16.186 ( 0.207 0.497 -5.315) 5.342 ======================= Grid point 290 (144/160) ======================= q-point: (-0.22 0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.119 10.245 5.095) 11.497 1.686 ( 3.755 5.460 6.223) 9.091 1.760 ( 6.606 6.930 -4.541) 10.596 1.815 ( 4.558 3.868 3.407) 6.881 2.156 ( 3.837 1.600 -5.571) 6.951 2.275 ( 11.663 -1.403 -1.312) 11.820 2.508 ( 0.214 4.090 8.045) 9.027 2.678 ( -0.027 3.614 -3.816) 5.256 3.259 ( 2.366 -1.606 11.590) 11.938 3.366 ( -0.633 0.473 0.425) 0.897 3.538 ( -5.940 -0.474 3.492) 6.906 3.705 ( -2.356 -6.344 5.083) 8.464 3.751 ( -0.671 -1.769 8.910) 9.109 3.880 ( 1.211 -5.344 -3.166) 6.329 3.973 ( 2.968 -6.739 -3.073) 7.979 4.062 ( -0.285 2.824 3.097) 4.200 4.267 ( -0.762 3.774 -10.839) 11.502 4.424 ( 0.801 -2.171 4.792) 5.321 4.568 ( 0.814 -1.267 -3.734) 4.026 4.628 ( -1.131 2.119 1.017) 2.609 4.751 ( 2.420 -0.863 -3.332) 4.207 4.789 ( -1.571 0.171 -6.928) 7.106 5.259 ( -1.623 -0.707 4.610) 4.938 5.464 ( -0.443 1.469 -9.866) 9.985 6.069 ( -0.271 2.103 4.952) 5.387 6.142 ( -0.450 1.960 -2.090) 2.900 6.870 ( -2.924 1.330 5.834) 6.660 6.888 ( -2.117 2.222 2.506) 3.962 7.115 ( -1.551 -3.216 5.080) 6.209 7.278 ( -0.431 -2.347 -4.826) 5.384 7.447 ( -3.086 -10.627 7.062) 13.128 7.525 ( -10.581 -11.662 -14.053) 21.106 8.743 ( 2.834 -0.821 4.128) 5.074 8.856 ( 5.134 0.277 -1.473) 5.349 9.220 ( 2.378 -2.692 4.435) 5.707 9.303 ( 2.262 -1.433 -5.177) 5.828 9.577 ( 3.881 2.153 8.610) 9.687 9.638 ( -3.050 2.999 -5.762) 7.177 10.515 ( -4.387 1.067 3.068) 5.459 10.633 ( -3.423 5.266 -3.165) 7.033 10.933 ( -0.860 -4.460 7.076) 8.408 11.045 ( -3.847 -1.712 -6.183) 7.480 11.470 ( -1.547 1.038 1.983) 2.721 11.614 ( 2.207 2.533 -3.428) 4.800 12.059 ( -0.094 -4.455 5.732) 7.260 12.180 ( 0.583 -6.323 -2.237) 6.732 12.751 ( -12.439 3.310 0.322) 12.876 12.887 ( -8.033 3.390 -2.246) 9.004 13.176 ( 7.520 2.814 5.199) 9.566 13.425 ( 10.426 1.176 -6.497) 12.341 13.623 ( 11.062 0.814 2.660) 11.406 13.764 ( 8.243 2.167 -2.644) 8.924 16.032 ( -1.836 0.660 7.039) 7.305 16.170 ( -1.343 0.524 -5.129) 5.328 ======================= Grid point 291 (145/160) ======================= q-point: (-0.11 0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.674 11.281 1.835) 11.450 1.729 ( 8.032 5.907 5.810) 11.540 1.863 ( 9.282 2.062 -6.526) 11.533 1.907 ( 8.772 4.165 5.723) 11.272 2.221 ( 5.831 0.616 -5.570) 8.087 2.450 ( 8.706 5.388 4.666) 11.252 2.590 ( 8.246 -0.597 2.115) 8.534 2.676 ( 6.350 -0.743 1.411) 6.548 3.254 ( -1.138 6.313 15.361) 16.647 3.376 ( 0.343 -4.992 2.778) 5.724 3.499 ( -2.020 -3.741 0.571) 4.289 3.680 ( -5.581 -4.740 4.576) 8.634 3.779 ( -0.723 -2.298 6.235) 6.684 3.908 ( -1.221 -3.381 -11.681) 12.222 4.026 ( -0.673 1.529 1.723) 2.400 4.100 ( 2.557 -5.794 4.358) 7.687 4.209 ( -1.250 2.475 -12.406) 12.712 4.461 ( 0.045 -1.993 6.117) 6.434 4.548 ( -3.423 3.734 5.123) 7.205 4.589 ( 0.434 0.973 -8.836) 8.900 4.764 ( 0.064 0.580 -1.988) 2.072 4.806 ( 1.904 -1.621 -5.233) 5.799 5.250 ( -0.996 -1.542 2.390) 3.013 5.430 ( -1.621 1.249 -9.437) 9.656 6.055 ( 0.474 1.236 4.920) 5.095 6.116 ( -0.340 1.674 -2.310) 2.873 6.797 ( -4.418 0.615 4.498) 6.335 6.817 ( -3.357 2.098 2.144) 4.501 7.102 ( -5.566 -4.649 7.396) 10.358 7.257 ( -4.415 -1.137 0.251) 4.566 7.419 ( -10.490 -7.227 -17.217) 21.417 7.449 ( -6.145 -6.482 4.454) 9.981 8.828 ( 3.764 -3.817 2.090) 5.754 8.964 ( 6.977 -0.028 1.452) 7.127 9.288 ( 2.603 -1.967 4.206) 5.323 9.363 ( 3.143 -1.016 -5.508) 6.423 9.552 ( -2.576 3.685 -4.305) 6.225 9.645 ( 5.724 1.799 7.061) 9.266 10.428 ( -5.198 0.309 2.360) 5.717 10.510 ( -4.650 3.216 -1.498) 5.849 10.904 ( -5.418 -0.057 0.293) 5.427 11.005 ( -2.295 -2.114 -0.278) 3.132 11.461 ( 1.163 0.048 0.370) 1.221 11.626 ( 2.683 2.880 -2.192) 4.505 12.097 ( -0.321 -3.848 4.819) 6.176 12.220 ( -2.038 -3.642 1.398) 4.401 12.561 ( -6.537 2.590 1.143) 7.124 12.715 ( -7.430 4.082 -4.234) 9.476 13.216 ( 1.686 3.315 4.798) 6.071 13.438 ( -1.992 1.931 -4.053) 4.912 13.966 ( 22.309 -1.928 -2.845) 22.572 14.000 ( 18.109 -1.513 0.497) 18.179 15.986 ( -2.809 0.824 7.137) 7.714 16.130 ( -2.576 0.516 -4.998) 5.646 ======================= Grid point 296 (146/160) ======================= q-point: (-0.56 0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.847 0.000 7.350) 7.579 1.781 ( 1.991 -0.000 -1.780) 2.670 1.917 ( -5.014 0.000 9.785) 10.995 1.996 ( 0.185 -0.000 4.319) 4.323 2.157 ( -11.216 0.000 -9.163) 14.484 2.387 ( -11.409 0.000 -7.450) 13.626 2.766 ( -0.108 0.000 -2.854) 2.856 2.779 ( -6.106 0.000 1.593) 6.311 3.153 ( 1.216 -0.000 5.269) 5.408 3.327 ( 11.566 -0.000 2.823) 11.906 3.362 ( -3.967 0.000 -5.843) 7.063 3.572 ( -2.334 0.000 1.169) 2.610 3.618 ( 2.584 -0.000 9.478) 9.824 3.726 ( -1.317 0.000 3.432) 3.676 4.101 ( -0.523 0.000 17.658) 17.666 4.132 ( 3.503 -0.000 -1.598) 3.850 4.325 ( 2.646 -0.000 2.685) 3.770 4.386 ( -4.282 0.000 2.701) 5.063 4.475 ( 0.776 -0.000 3.743) 3.823 4.547 ( 2.598 -0.000 -11.314) 11.608 4.784 ( -4.171 0.000 -9.643) 10.506 4.811 ( -0.289 0.000 -11.971) 11.975 5.297 ( 0.874 -0.000 7.740) 7.789 5.465 ( 2.410 -0.000 -9.905) 10.194 6.154 ( -0.312 0.000 3.141) 3.156 6.173 ( 0.856 -0.000 -0.502) 0.992 6.755 ( 7.373 -0.000 22.118) 23.314 6.966 ( 2.907 -0.000 6.168) 6.819 7.069 ( 1.390 -0.000 -3.428) 3.699 7.103 ( 2.003 -0.000 0.562) 2.080 7.287 ( -1.229 0.000 -5.733) 5.863 7.383 ( 1.825 -0.000 -16.996) 17.094 8.778 ( -0.373 0.000 -2.183) 2.215 8.839 ( -6.578 0.000 2.497) 7.036 9.120 ( -0.994 0.000 6.897) 6.968 9.294 ( -2.968 0.000 -6.536) 7.178 9.545 ( 1.982 -0.000 9.131) 9.344 9.792 ( -2.951 0.000 -5.194) 5.973 10.582 ( 5.638 -0.000 3.974) 6.898 10.669 ( 4.948 -0.000 -2.833) 5.702 10.781 ( 4.317 -0.000 5.204) 6.761 11.080 ( -4.686 0.000 -7.964) 9.240 11.569 ( 2.517 -0.000 -4.076) 4.791 11.620 ( -3.595 0.000 1.225) 3.798 11.972 ( -1.331 0.000 5.264) 5.430 12.021 ( -0.381 0.000 0.897) 0.975 12.833 ( 8.895 -0.000 -0.841) 8.935 12.931 ( 10.570 -0.000 0.892) 10.608 13.315 ( -12.129 0.000 5.644) 13.378 13.371 ( -7.582 0.000 -6.359) 9.896 13.710 ( -13.232 0.000 3.729) 13.748 13.769 ( 0.894 -0.000 -7.243) 7.298 16.052 ( 1.300 -0.000 6.891) 7.013 16.180 ( 1.535 -0.000 -5.392) 5.606 ======================= Grid point 298 (147/160) ======================= q-point: (-0.44 0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 5.218 2.045 10.191) 11.630 1.770 ( -2.660 1.296 -8.272) 8.785 1.860 ( 0.753 2.620 10.076) 10.438 1.993 ( -3.530 3.442 -1.130) 5.058 2.060 ( 6.092 0.307 2.374) 6.545 2.231 ( -6.262 0.506 -10.078) 11.876 2.677 ( -4.044 2.941 6.861) 8.490 2.772 ( 1.033 1.770 -2.872) 3.528 3.183 ( 2.177 0.073 5.197) 5.635 3.323 ( -0.951 -1.483 -6.754) 6.980 3.501 ( -7.244 -5.543 1.690) 9.277 3.541 ( 9.469 -4.343 -0.462) 10.428 3.670 ( 2.137 1.773 8.161) 8.620 3.740 ( 1.100 -3.275 4.492) 5.667 4.023 ( -6.210 3.488 10.467) 12.660 4.140 ( 0.123 2.295 7.573) 7.914 4.303 ( -2.572 -0.470 1.465) 2.997 4.432 ( 6.651 -0.178 -3.565) 7.549 4.484 ( -0.846 -0.173 1.342) 1.596 4.617 ( 4.386 -0.218 -5.847) 7.313 4.717 ( -2.897 -0.465 -7.282) 7.851 4.802 ( -1.135 -0.941 -13.735) 13.814 5.292 ( -1.522 0.280 8.552) 8.691 5.490 ( 0.871 0.377 -9.835) 9.881 6.137 ( -1.004 1.149 3.786) 4.082 6.184 ( 0.529 0.554 -0.669) 1.017 6.856 ( 2.255 -1.821 20.884) 21.084 6.987 ( 0.556 2.134 5.134) 5.588 7.071 ( -0.840 -1.080 -1.358) 1.928 7.156 ( 2.028 -2.755 -0.808) 3.515 7.277 ( 0.275 -0.533 -5.396) 5.429 7.389 ( -3.689 -4.669 -16.125) 17.188 8.750 ( -2.722 0.669 2.965) 4.080 8.799 ( 2.145 -0.396 -1.829) 2.847 9.126 ( 0.935 -1.096 6.446) 6.605 9.261 ( -0.788 -0.352 -6.383) 6.441 9.578 ( 2.303 0.928 9.584) 9.900 9.742 ( -2.591 0.721 -5.890) 6.475 10.619 ( -0.562 2.032 5.031) 5.455 10.718 ( 0.083 -1.988 -1.769) 2.662 10.859 ( 4.193 1.666 3.073) 5.459 11.018 ( -2.947 -2.137 -8.198) 8.970 11.550 ( -3.940 0.739 2.265) 4.604 11.613 ( 2.897 0.485 -3.868) 4.857 11.966 ( -0.106 -1.268 5.071) 5.228 12.035 ( 0.865 -1.919 -0.392) 2.141 12.997 ( 8.705 0.953 1.717) 8.924 13.030 ( -7.052 0.985 -1.436) 7.263 13.130 ( -6.735 0.369 3.741) 7.714 13.242 ( 5.277 0.527 -6.690) 8.537 13.604 ( -1.514 0.795 8.234) 8.410 13.785 ( 0.770 0.848 -8.889) 8.962 16.061 ( -0.265 0.178 6.945) 6.952 16.192 ( 0.148 0.190 -5.350) 5.355 ======================= Grid point 299 (148/160) ======================= q-point: (-0.33 0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 4.059 6.397 3.238) 8.240 1.725 ( 0.751 -0.091 -6.481) 6.525 1.896 ( 6.181 5.492 11.463) 14.134 1.929 ( 3.708 7.015 0.077) 7.935 2.170 ( 0.344 -0.641 -7.765) 7.799 2.246 ( 13.498 -1.013 2.302) 13.730 2.601 ( -0.479 4.499 9.156) 10.213 2.754 ( 0.137 3.726 -1.509) 4.023 3.226 ( 2.360 -0.438 5.620) 6.111 3.337 ( 0.183 -2.451 -7.456) 7.851 3.446 ( -7.382 -8.351 0.533) 11.158 3.650 ( -3.419 -2.742 6.595) 7.918 3.697 ( 3.329 -0.316 5.256) 6.230 3.808 ( 1.843 -3.493 -0.830) 4.035 3.919 ( 0.128 1.385 6.401) 6.550 4.119 ( 0.436 3.216 11.042) 11.509 4.303 ( 0.737 -1.831 -2.247) 2.991 4.412 ( -4.979 1.883 -3.326) 6.276 4.543 ( 4.112 -0.994 -4.550) 6.213 4.656 ( 0.465 1.031 -0.426) 1.208 4.721 ( 1.261 -1.843 -4.010) 4.590 4.791 ( -0.079 -0.257 -13.654) 13.656 5.255 ( -2.257 0.208 8.163) 8.472 5.482 ( -1.158 0.370 -9.723) 9.798 6.106 ( -1.040 1.507 4.435) 4.798 6.176 ( -0.321 1.359 -0.994) 1.714 6.863 ( -3.354 -1.268 16.973) 17.347 6.948 ( -1.998 3.190 2.968) 4.793 7.059 ( -2.596 -2.156 0.247) 3.383 7.215 ( 0.705 -4.155 -0.587) 4.255 7.308 ( 0.566 -3.629 -2.400) 4.387 7.339 ( -8.229 -6.849 -15.850) 19.127 8.730 ( 0.505 -0.493 3.191) 3.268 8.867 ( 5.808 0.646 -0.856) 5.906 9.172 ( 2.572 -1.940 6.040) 6.845 9.276 ( 1.742 -1.165 -6.366) 6.702 9.616 ( 3.711 1.613 9.709) 10.519 9.683 ( -3.032 1.588 -5.623) 6.583 10.548 ( -4.584 2.288 3.834) 6.399 10.687 ( -5.439 -0.509 -5.687) 7.886 10.888 ( 1.485 0.764 6.965) 7.162 11.004 ( -2.390 -2.474 -6.955) 7.759 11.488 ( -2.280 0.718 2.829) 3.704 11.651 ( 2.616 1.283 -3.362) 4.448 11.992 ( 0.734 -2.409 5.015) 5.612 12.085 ( 1.845 -3.363 -1.377) 4.076 12.805 ( -12.196 2.068 -0.037) 12.370 12.934 ( -7.616 1.552 -1.469) 7.910 13.226 ( 9.644 2.112 5.326) 11.218 13.443 ( 10.187 0.621 -6.535) 12.119 13.630 ( 8.799 0.124 4.978) 10.110 13.799 ( 4.433 1.352 -5.317) 7.053 16.043 ( -1.643 0.441 7.000) 7.203 16.178 ( -1.394 0.314 -5.208) 5.400 ======================= Grid point 300 (149/160) ======================= q-point: (-0.22 0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.068 9.633 -2.788) 10.029 1.793 ( 6.104 0.639 -0.973) 6.214 1.932 ( 7.338 5.215 1.110) 9.070 2.003 ( 7.100 4.957 4.593) 9.801 2.225 ( 5.395 -0.681 -4.215) 6.880 2.526 ( 16.995 0.133 5.000) 17.715 2.595 ( 5.642 3.847 8.402) 10.827 2.713 ( -0.063 3.891 1.484) 4.165 3.258 ( -1.079 -3.917 1.440) 4.310 3.364 ( -0.670 1.269 -2.029) 2.485 3.409 ( -2.224 -5.004 3.437) 6.466 3.583 ( -7.066 -4.369 7.755) 11.365 3.750 ( 3.268 -1.123 6.284) 7.171 3.853 ( 0.095 -2.758 -6.382) 6.953 3.969 ( 0.954 -2.758 2.072) 3.579 4.114 ( 3.276 3.368 8.359) 9.589 4.259 ( -5.370 2.677 -10.886) 12.430 4.392 ( 1.548 -4.507 5.817) 7.519 4.580 ( -0.491 0.030 -2.514) 2.562 4.623 ( -2.723 1.438 -1.028) 3.247 4.742 ( -0.880 -1.736 -7.445) 7.695 4.812 ( 3.282 1.335 -7.057) 7.896 5.229 ( -0.934 -0.466 6.029) 6.118 5.445 ( -2.446 0.202 -9.639) 9.947 6.079 ( -0.582 1.142 4.928) 5.092 6.151 ( -0.630 1.774 -1.445) 2.373 6.790 ( -6.557 -1.131 14.154) 15.640 6.871 ( -3.127 3.052 1.956) 4.787 7.017 ( -5.964 -3.456 2.573) 7.358 7.231 ( -4.806 -1.809 -5.085) 7.227 7.271 ( -4.585 -7.085 -9.144) 12.443 7.349 ( 0.009 -3.869 -4.060) 5.608 8.772 ( 2.612 -2.050 3.079) 4.528 8.971 ( 6.675 0.629 0.482) 6.721 9.244 ( 3.015 -2.264 5.856) 6.965 9.333 ( 3.127 -1.785 -6.443) 7.381 9.610 ( -2.940 2.271 -4.111) 5.541 9.683 ( 5.939 1.796 8.305) 10.366 10.443 ( -5.342 1.578 1.810) 5.857 10.563 ( -7.450 1.275 -4.452) 8.772 10.895 ( -1.259 -0.133 3.465) 3.689 10.974 ( -2.480 -1.217 -1.802) 3.299 11.466 ( 0.214 0.324 2.020) 2.057 11.675 ( 2.308 2.068 -2.767) 4.154 12.033 ( 0.925 -2.634 4.695) 5.463 12.148 ( 1.247 -3.433 -0.432) 3.678 12.614 ( -7.655 2.606 1.254) 8.183 12.782 ( -7.802 2.720 -4.047) 9.201 13.285 ( 1.364 3.637 4.602) 6.022 13.467 ( -2.452 0.905 -2.712) 3.766 13.934 ( 20.026 -1.125 -0.411) 20.062 13.972 ( 16.488 -1.421 -2.591) 16.751 16.002 ( -2.633 0.760 7.026) 7.541 16.139 ( -2.658 0.384 -5.071) 5.738 ======================= Grid point 301 (150/160) ======================= q-point: (-0.11 0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.624 8.914 -0.201) 8.938 1.895 ( 6.597 1.266 -1.107) 6.808 2.023 ( 4.967 2.427 -3.679) 6.641 2.046 ( 4.453 2.796 3.268) 6.191 2.333 ( 6.609 1.341 -1.269) 6.862 2.671 ( 10.611 5.018 7.078) 13.707 2.683 ( 2.063 2.819 1.442) 3.779 2.864 ( 16.505 -3.635 8.386) 18.867 3.273 ( -2.415 -3.866 3.065) 5.493 3.292 ( -2.835 2.589 2.580) 4.625 3.441 ( -1.429 -3.223 2.576) 4.367 3.516 ( -6.208 -4.722 3.964) 8.749 3.807 ( -2.660 3.039 -1.289) 4.239 3.857 ( 2.855 -3.125 0.724) 4.294 3.991 ( -0.286 -2.600 -2.900) 3.905 4.134 ( -0.180 1.733 8.452) 8.629 4.202 ( 1.954 -1.596 -9.741) 10.062 4.457 ( 1.549 -1.659 3.666) 4.312 4.501 ( -6.328 3.150 2.461) 7.485 4.571 ( -3.253 -1.346 -1.539) 3.842 4.739 ( -0.760 -1.363 -6.396) 6.584 4.862 ( 4.032 1.009 -8.249) 9.237 5.226 ( -0.489 -0.421 4.230) 4.279 5.400 ( -2.225 0.103 -9.357) 9.618 6.067 ( -0.279 0.199 5.190) 5.201 6.128 ( 0.145 1.533 -2.194) 2.681 6.683 ( -7.698 -1.945 14.287) 16.345 6.798 ( -2.019 2.480 2.135) 3.845 6.921 ( -8.431 -2.368 4.481) 9.837 7.155 ( -4.859 -2.646 -15.693) 16.640 7.264 ( -1.796 -1.372 3.503) 4.169 7.387 ( 0.796 -2.678 -8.317) 8.774 8.846 ( 2.719 -3.136 2.588) 4.891 9.060 ( 3.874 0.270 1.573) 4.190 9.308 ( 1.682 -1.807 6.152) 6.628 9.399 ( 2.671 -1.477 -6.098) 6.819 9.549 ( -1.200 2.515 -1.765) 3.299 9.776 ( 6.627 2.155 5.191) 8.690 10.343 ( -5.017 0.400 2.007) 5.418 10.452 ( -3.701 0.803 -3.719) 5.308 10.841 ( -3.559 2.009 0.094) 4.088 10.958 ( -1.057 -1.775 0.169) 2.073 11.486 ( 1.736 -0.492 0.884) 2.009 11.692 ( 2.066 1.952 -1.980) 3.464 12.073 ( 0.756 -2.231 4.807) 5.354 12.181 ( -0.167 -1.217 2.385) 2.683 12.494 ( -4.062 1.814 0.324) 4.461 12.627 ( -6.800 2.632 -4.528) 8.583 13.256 ( -0.241 2.743 4.239) 5.055 13.407 ( -2.814 0.732 -3.575) 4.608 14.210 ( 11.708 -2.375 11.391) 16.507 14.329 ( 19.224 -1.739 -13.706) 23.674 15.947 ( -2.845 0.926 7.107) 7.711 16.086 ( -2.769 0.328 -5.083) 5.797 ======================= Grid point 307 (151/160) ======================= q-point: ( 0.56 -0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 7.713 -0.000 6.011) 9.779 1.714 ( -2.158 0.000 -10.014) 10.244 1.949 ( 7.660 -0.000 11.017) 13.418 2.022 ( 3.091 -0.000 0.908) 3.221 2.146 ( -3.441 0.000 -9.015) 9.649 2.238 ( 13.750 -0.000 4.025) 14.327 2.650 ( -0.496 0.000 9.762) 9.775 2.795 ( 0.591 -0.000 -0.089) 0.598 3.242 ( 4.108 -0.000 4.055) 5.772 3.308 ( -1.454 0.000 -7.985) 8.117 3.334 ( -6.152 0.000 0.349) 6.162 3.599 ( -1.104 0.000 -0.593) 1.253 3.737 ( 2.975 -0.000 4.204) 5.150 3.743 ( 1.047 -0.000 0.769) 1.299 3.947 ( -2.268 0.000 11.139) 11.367 4.177 ( 1.504 -0.000 14.478) 14.556 4.248 ( -1.033 0.000 3.421) 3.573 4.442 ( -5.284 0.000 -9.217) 10.624 4.535 ( 4.578 -0.000 -2.049) 5.016 4.671 ( 0.380 -0.000 -0.003) 0.380 4.696 ( 1.234 -0.000 -6.111) 6.235 4.785 ( 1.228 -0.000 -17.308) 17.352 5.259 ( -2.392 0.000 9.093) 9.402 5.484 ( -1.540 0.000 -9.610) 9.733 6.121 ( -1.436 0.000 4.174) 4.414 6.190 ( -0.201 0.000 -0.354) 0.407 6.847 ( -2.911 0.000 22.849) 23.034 6.988 ( -1.948 0.000 5.541) 5.873 7.035 ( -2.913 0.000 -4.510) 5.369 7.162 ( 0.570 -0.000 -2.602) 2.664 7.273 ( -6.244 0.000 -14.313) 15.616 7.278 ( 0.547 -0.000 -5.859) 5.884 8.725 ( -0.100 0.000 2.935) 2.937 8.874 ( 5.989 -0.000 -1.011) 6.074 9.153 ( 2.612 -0.000 6.919) 7.396 9.264 ( 1.506 -0.000 -6.764) 6.930 9.633 ( 3.606 -0.000 9.813) 10.454 9.698 ( -3.010 0.000 -5.299) 6.094 10.584 ( -4.466 0.000 3.593) 5.732 10.658 ( -5.439 0.000 -2.358) 5.928 10.925 ( 1.724 -0.000 4.330) 4.661 10.961 ( -2.035 0.000 -8.829) 9.060 11.495 ( -2.599 0.000 3.054) 4.010 11.664 ( 2.817 -0.000 -3.139) 4.217 11.968 ( 1.000 -0.000 4.858) 4.960 12.052 ( 2.089 -0.000 -0.999) 2.316 12.826 ( -12.130 0.000 -0.180) 12.131 12.949 ( -7.410 0.000 -1.043) 7.483 13.248 ( 10.716 -0.000 5.281) 11.947 13.449 ( 9.789 -0.000 -6.478) 11.738 13.631 ( 7.945 -0.000 5.350) 9.578 13.813 ( 3.249 -0.000 -5.848) 6.690 16.047 ( -1.563 0.000 6.978) 7.151 16.182 ( -1.421 0.000 -5.236) 5.425 ======================= Grid point 309 (152/160) ======================= q-point: (-0.33 0.56 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.047 4.373 -7.150) 8.628 1.788 ( 3.067 -0.550 -2.938) 4.283 2.026 ( 3.837 3.743 3.723) 6.526 2.074 ( 4.094 1.768 2.153) 4.952 2.193 ( 7.936 -1.871 0.616) 8.177 2.508 ( 17.019 -0.799 6.993) 18.417 2.677 ( 5.101 2.857 10.184) 11.743 2.789 ( 0.196 2.787 2.030) 3.453 3.203 ( -4.900 -1.503 -2.674) 5.781 3.326 ( 2.632 -2.588 4.247) 5.627 3.356 ( 2.209 -1.048 -6.983) 7.398 3.516 ( -8.119 -2.269 4.903) 9.752 3.743 ( 1.146 0.169 0.903) 1.469 3.802 ( 2.777 -1.793 -0.962) 3.443 3.958 ( 1.652 0.459 5.860) 6.106 4.182 ( 2.054 3.355 12.809) 13.399 4.303 ( -0.946 -3.000 1.835) 3.641 4.304 ( -4.686 0.380 -5.435) 7.186 4.577 ( 0.172 -0.118 -2.585) 2.594 4.626 ( -4.744 -0.480 -0.870) 4.847 4.727 ( 1.336 -0.068 -7.834) 7.947 4.829 ( 3.335 0.295 -11.419) 11.900 5.230 ( -0.686 0.282 7.620) 7.656 5.442 ( -3.078 -0.288 -9.626) 10.110 6.095 ( -1.391 0.429 4.769) 4.987 6.177 ( -0.753 0.767 -0.507) 1.189 6.769 ( -6.889 -0.648 22.544) 23.582 6.925 ( -3.756 2.240 2.684) 5.131 6.972 ( -5.190 -1.488 -3.659) 6.522 7.148 ( -4.876 -3.544 -18.143) 19.118 7.217 ( 0.159 -0.703 2.837) 2.927 7.298 ( 1.122 -1.372 -6.752) 6.980 8.746 ( 2.005 -0.650 3.218) 3.847 8.982 ( 6.505 0.393 -0.256) 6.522 9.210 ( 3.259 -1.000 7.210) 7.975 9.306 ( 3.046 -0.760 -6.877) 7.559 9.639 ( -3.169 0.757 -3.976) 5.141 9.708 ( 5.454 0.690 9.426) 10.912 10.488 ( -5.313 2.795 0.303) 6.011 10.548 ( -7.815 -2.345 -4.025) 9.098 10.913 ( -0.723 1.756 0.185) 1.908 10.949 ( -1.594 -1.532 0.422) 2.251 11.471 ( -0.225 0.163 2.840) 2.854 11.703 ( 2.292 0.763 -2.810) 3.705 11.998 ( 1.697 -0.913 4.830) 5.200 12.099 ( 2.394 -1.420 -1.168) 3.018 12.651 ( -8.050 1.032 1.141) 8.195 12.818 ( -7.738 0.931 -3.693) 8.624 13.343 ( 1.210 1.913 3.481) 4.152 13.472 ( -2.791 -0.177 -0.399) 2.825 13.926 ( 20.589 0.111 -4.273) 21.028 13.947 ( 13.707 -0.964 0.128) 13.741 16.012 ( -2.484 0.313 6.956) 7.393 16.144 ( -2.736 0.133 -5.129) 5.815 ======================= Grid point 310 (153/160) ======================= q-point: (-0.22 0.56 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -4.261 6.389 -3.991) 8.655 1.872 ( 5.187 -2.843 -5.362) 7.984 2.076 ( 0.647 2.280 -1.007) 2.575 2.104 ( 5.310 2.677 2.736) 6.546 2.357 ( 9.133 0.723 1.586) 9.297 2.739 ( -0.605 2.545 6.666) 7.161 2.764 ( 8.682 3.581 8.991) 13.002 2.822 ( 16.373 -0.204 5.720) 17.345 3.177 ( -1.652 -2.806 -2.104) 3.877 3.341 ( -2.825 -2.018 5.782) 6.744 3.396 ( 0.549 -0.280 -4.757) 4.796 3.449 ( -1.630 -1.620 4.415) 4.977 3.784 ( 0.447 -3.221 -0.667) 3.319 3.853 ( 2.496 1.076 1.633) 3.171 3.972 ( 1.310 0.771 -2.231) 2.700 4.139 ( -7.694 -2.314 -5.180) 9.559 4.206 ( 2.847 2.701 9.901) 10.650 4.406 ( 3.829 -2.796 3.474) 5.877 4.533 ( -7.175 -0.876 1.961) 7.489 4.542 ( -3.886 -0.182 -2.270) 4.504 4.733 ( 0.352 0.502 -7.619) 7.644 4.878 ( 3.125 0.346 -8.961) 9.496 5.231 ( 0.862 0.818 4.752) 4.898 5.393 ( -2.780 -0.727 -9.698) 10.115 6.070 ( -1.345 0.123 5.301) 5.471 6.156 ( -0.426 1.117 -1.224) 1.711 6.650 ( -8.183 -1.229 21.296) 22.847 6.844 ( -2.926 2.074 1.168) 3.772 6.891 ( -5.638 -0.987 -0.814) 5.781 7.104 ( -2.323 -2.258 -19.902) 20.164 7.241 ( 0.814 -0.886 5.063) 5.204 7.337 ( 1.520 -2.234 -8.105) 8.544 8.801 ( 2.930 -1.553 3.465) 4.796 9.070 ( 4.046 0.582 0.516) 4.120 9.275 ( 2.472 -1.411 7.260) 7.798 9.370 ( 3.054 -1.341 -6.395) 7.212 9.584 ( -2.070 1.115 -2.191) 3.214 9.803 ( 6.082 0.701 7.073) 9.355 10.359 ( -6.511 1.164 -1.116) 6.708 10.464 ( -3.434 0.174 -3.555) 4.946 10.875 ( -2.164 1.540 -1.772) 3.193 10.931 ( -1.699 -1.106 3.541) 4.081 11.481 ( 1.228 -0.029 2.332) 2.636 11.724 ( 1.429 1.288 -2.549) 3.193 12.040 ( 1.951 -1.057 4.847) 5.331 12.150 ( 1.724 -1.591 0.238) 2.358 12.529 ( -4.996 1.512 0.599) 5.254 12.667 ( -8.146 1.475 -4.627) 9.484 13.307 ( -1.681 2.278 3.601) 4.580 13.413 ( -3.778 -0.174 -2.151) 4.351 14.174 ( 12.024 -1.279 9.407) 15.320 14.303 ( 20.136 -0.891 -11.959) 23.436 15.963 ( -2.807 0.689 6.915) 7.495 16.091 ( -3.032 0.137 -5.146) 5.975 ======================= Grid point 311 (154/160) ======================= q-point: (-0.11 -0.44 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -5.037 1.488 -1.342) 5.421 1.968 ( 1.328 -0.606 -0.784) 1.657 2.039 ( -0.718 -0.553 -1.387) 1.656 2.150 ( 2.020 3.175 -1.599) 4.089 2.447 ( 3.392 3.268 -1.490) 4.940 2.705 ( -0.712 0.014 4.549) 4.604 2.881 ( 6.416 1.144 7.254) 9.752 3.095 ( 10.077 -2.782 6.622) 12.375 3.180 ( 3.164 -1.581 1.282) 3.762 3.335 ( 1.573 1.957 5.294) 5.859 3.389 ( -0.612 1.637 -0.028) 1.748 3.432 ( -1.439 -0.822 1.800) 2.446 3.675 ( -11.540 1.525 -7.426) 13.808 3.921 ( 2.719 -0.973 5.445) 6.164 4.011 ( 1.226 0.082 4.661) 4.820 4.126 ( 4.011 -3.806 -3.549) 6.570 4.242 ( 2.478 -0.442 -1.178) 2.779 4.391 ( -8.998 1.177 1.385) 9.180 4.461 ( -2.038 -2.849 5.585) 6.593 4.491 ( -0.482 -0.228 0.020) 0.534 4.739 ( 1.198 0.714 -6.556) 6.702 4.924 ( 2.468 -0.125 -8.988) 9.321 5.234 ( 0.765 1.520 2.261) 2.830 5.365 ( -1.141 -0.716 -8.949) 9.050 6.050 ( -1.334 -0.627 5.382) 5.580 6.147 ( 0.474 0.728 -2.276) 2.436 6.547 ( -5.359 -1.524 20.915) 21.644 6.795 ( -0.737 1.413 1.284) 2.047 6.810 ( -3.929 0.337 1.765) 4.321 7.116 ( 2.769 0.116 -20.513) 20.699 7.254 ( 0.176 0.309 5.883) 5.893 7.386 ( 1.811 -2.177 -9.790) 10.191 8.866 ( 2.334 -1.763 3.309) 4.417 9.106 ( 1.308 0.898 0.997) 1.874 9.315 ( 0.579 -0.847 7.214) 7.287 9.419 ( 1.145 -1.158 -4.550) 4.833 9.546 ( -1.437 0.789 -0.544) 1.727 9.883 ( 3.380 0.534 2.107) 4.019 10.275 ( -2.575 -0.465 2.104) 3.358 10.423 ( -0.492 1.327 -5.031) 5.226 10.808 ( -3.207 2.589 1.324) 4.329 10.934 ( 0.605 -2.504 -1.286) 2.880 11.504 ( 0.804 -0.496 1.705) 1.949 11.725 ( -0.056 1.009 -1.906) 2.158 12.079 ( 1.341 -0.326 5.446) 5.619 12.179 ( 0.498 -0.375 3.068) 3.131 12.461 ( -1.216 0.960 -1.881) 2.437 12.537 ( -5.255 0.504 -3.540) 6.356 13.269 ( -0.408 1.353 3.622) 3.888 13.361 ( -2.508 -0.624 -3.343) 4.226 14.325 ( 3.182 -1.104 12.130) 12.589 14.583 ( 11.683 0.181 -14.815) 18.868 15.916 ( -1.728 0.758 7.074) 7.322 16.048 ( -1.485 -0.099 -5.281) 5.487 ======================= Grid point 318 (155/160) ======================= q-point: (-0.33 -0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -9.699 0.000 -6.447) 11.646 1.827 ( 7.635 -0.000 -6.160) 9.810 2.098 ( -1.657 0.000 1.094) 1.986 2.133 ( 6.068 -0.000 1.654) 6.290 2.362 ( 10.440 -0.000 3.097) 10.890 2.756 ( 5.024 -0.000 10.573) 11.706 2.810 ( 7.534 -0.000 10.489) 12.914 2.825 ( 8.803 -0.000 1.895) 9.005 3.163 ( 2.401 -0.000 -3.738) 4.442 3.294 ( -6.671 0.000 7.182) 9.803 3.407 ( 3.896 -0.000 -8.477) 9.329 3.428 ( 0.395 -0.000 3.916) 3.936 3.753 ( 0.718 -0.000 0.000) 0.718 3.859 ( 3.889 -0.000 0.267) 3.898 3.993 ( 2.607 -0.000 -0.891) 2.755 4.103 ( -11.857 0.000 -3.947) 12.497 4.244 ( 0.888 -0.000 13.496) 13.525 4.372 ( 5.792 -0.000 2.102) 6.162 4.516 ( -7.360 0.000 0.733) 7.396 4.544 ( -3.974 0.000 -2.645) 4.774 4.742 ( 0.627 -0.000 -7.338) 7.365 4.878 ( 2.587 -0.000 -8.443) 8.830 5.243 ( 1.592 -0.000 4.278) 4.565 5.382 ( -3.112 0.000 -9.885) 10.363 6.071 ( -1.688 0.000 5.270) 5.533 6.167 ( -0.764 0.000 -0.660) 1.009 6.639 ( -8.139 0.000 23.455) 24.827 6.873 ( -4.785 0.000 -6.481) 8.056 6.874 ( -3.498 0.000 5.197) 6.265 7.080 ( -0.399 0.000 -21.364) 21.367 7.233 ( 1.430 -0.000 5.162) 5.356 7.313 ( 1.498 -0.000 -8.023) 8.162 8.786 ( 2.954 -0.000 3.617) 4.670 9.076 ( 4.126 -0.000 0.109) 4.128 9.260 ( 2.791 -0.000 7.823) 8.306 9.356 ( 3.170 -0.000 -6.530) 7.258 9.594 ( -2.424 0.000 -2.558) 3.524 9.809 ( 5.511 -0.000 8.311) 9.972 10.375 ( -8.268 0.000 -3.160) 8.851 10.462 ( -1.507 0.000 -2.782) 3.164 10.895 ( -1.823 0.000 -9.212) 9.391 10.916 ( -2.062 0.000 11.350) 11.536 11.482 ( 1.095 -0.000 2.817) 3.022 11.737 ( 1.251 -0.000 -2.717) 2.991 12.031 ( 2.480 -0.000 4.990) 5.572 12.133 ( 2.269 -0.000 -0.548) 2.334 12.544 ( -5.257 0.000 0.662) 5.298 12.682 ( -8.675 0.000 -4.671) 9.853 13.332 ( -2.411 0.000 2.780) 3.680 13.408 ( -4.040 0.000 -0.952) 4.150 14.162 ( 12.085 -0.000 8.538) 14.797 14.295 ( 20.586 -0.000 -11.296) 23.481 15.970 ( -2.755 0.000 6.855) 7.388 16.092 ( -3.156 0.000 -5.194) 6.078 ======================= Grid point 319 (156/160) ======================= q-point: (-0.22 -0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -11.444 -0.078 -4.770) 12.398 1.954 ( 3.932 -0.556 -1.841) 4.377 2.031 ( -3.538 -0.215 -0.612) 3.597 2.192 ( 0.868 1.061 -0.562) 1.482 2.507 ( 6.438 2.046 -1.699) 6.966 2.709 ( -4.386 0.298 2.506) 5.061 2.882 ( -1.366 -0.475 10.968) 11.063 3.061 ( 12.873 -0.874 6.459) 14.429 3.201 ( 4.646 3.068 2.444) 6.080 3.280 ( 3.114 -4.091 2.557) 5.742 3.429 ( 0.505 1.519 2.195) 2.717 3.467 ( 2.859 1.243 -5.651) 6.454 3.732 ( -6.205 4.613 0.009) 7.732 3.865 ( -3.335 -4.831 -1.159) 5.984 3.997 ( 2.227 -0.942 5.127) 5.668 4.062 ( 4.354 -1.652 -5.808) 7.444 4.256 ( 0.681 1.004 7.979) 8.071 4.383 ( -8.113 -0.981 10.004) 12.918 4.447 ( -2.599 0.900 -2.208) 3.527 4.474 ( 1.088 -1.383 -4.026) 4.394 4.754 ( 1.471 0.595 -5.288) 5.521 4.917 ( 1.920 -0.384 -7.134) 7.398 5.268 ( 1.688 1.504 0.758) 2.384 5.345 ( -1.395 -1.010 -9.436) 9.592 6.043 ( -1.772 -0.150 5.318) 5.607 6.155 ( -0.364 0.195 -1.403) 1.462 6.528 ( -4.899 -0.474 21.795) 22.344 6.806 ( -2.899 0.075 -3.995) 4.936 6.827 ( -1.611 0.845 6.310) 6.567 7.122 ( 5.478 0.283 -22.410) 23.071 7.259 ( 1.668 0.317 5.179) 5.450 7.344 ( 1.568 -1.615 -8.774) 9.058 8.843 ( 2.994 -0.623 4.295) 5.272 9.122 ( 1.801 0.547 0.330) 1.911 9.301 ( 1.423 -0.455 7.793) 7.935 9.402 ( 1.664 -0.545 -4.950) 5.250 9.554 ( -2.266 0.155 -1.920) 2.974 9.879 ( 1.940 -0.412 3.337) 3.882 10.271 ( -3.344 -0.057 1.729) 3.765 10.450 ( 0.442 1.026 -5.669) 5.778 10.851 ( -2.291 1.909 -2.067) 3.628 10.891 ( -1.306 -1.885 3.562) 4.236 11.500 ( 0.672 -0.050 2.864) 2.942 11.740 ( -0.716 0.469 -2.419) 2.566 12.079 ( 2.955 0.156 5.147) 5.937 12.166 ( 1.048 -0.634 1.836) 2.207 12.479 ( -1.857 0.652 -1.614) 2.545 12.541 ( -7.037 -0.032 -3.844) 8.018 13.292 ( -1.503 0.820 3.447) 3.849 13.347 ( -3.233 -0.618 -2.759) 4.295 14.311 ( 4.114 -0.347 11.583) 12.296 14.588 ( 13.434 0.180 -14.427) 19.714 15.928 ( -1.925 0.384 6.873) 7.148 16.046 ( -1.846 -0.097 -5.404) 5.711 ======================= Grid point 320 (157/160) ======================= q-point: (-0.11 -0.33 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -9.016 -4.497 -1.824) 10.239 1.862 ( -10.052 -2.136 8.023) 13.037 2.088 ( 3.673 0.654 -7.415) 8.300 2.137 ( -5.469 0.746 -1.971) 5.861 2.486 ( -3.899 4.610 -3.573) 7.016 2.678 ( -0.924 -2.006 -0.100) 2.211 2.783 ( -11.188 -4.331 4.586) 12.843 3.246 ( 4.866 -1.520 -1.158) 5.228 3.278 ( 0.626 2.257 0.859) 2.495 3.347 ( 1.529 -1.426 7.800) 8.075 3.443 ( 5.426 3.085 0.634) 6.274 3.496 ( 4.920 6.502 3.754) 8.976 3.542 ( -2.766 2.709 1.018) 4.003 3.891 ( -3.304 -6.811 3.310) 8.262 4.022 ( 0.695 3.373 8.884) 9.528 4.157 ( -0.741 -2.255 -7.076) 7.464 4.248 ( -3.981 -0.431 7.044) 8.103 4.301 ( 4.418 -2.594 -0.667) 5.167 4.414 ( 0.435 -0.563 1.053) 1.271 4.510 ( 1.076 0.698 -1.858) 2.258 4.779 ( 2.236 0.763 -4.035) 4.676 4.940 ( 0.232 -0.357 -7.180) 7.193 5.273 ( 1.379 2.041 -1.584) 2.929 5.345 ( -0.073 -1.063 -7.636) 7.710 6.021 ( -1.260 -0.721 4.997) 5.204 6.150 ( -0.393 -0.202 -2.148) 2.193 6.516 ( 2.853 -0.462 18.912) 19.131 6.772 ( -0.938 0.088 -1.182) 1.512 6.817 ( 1.879 1.251 7.035) 7.388 7.204 ( 3.633 1.336 -10.202) 10.911 7.291 ( 3.923 2.797 -2.957) 5.653 7.412 ( 5.576 -2.222 -12.005) 13.421 8.889 ( 1.355 -0.486 4.588) 4.809 9.135 ( 0.932 1.455 0.106) 1.732 9.312 ( -0.755 0.134 7.292) 7.332 9.401 ( -2.639 -0.884 -0.832) 2.905 9.521 ( -1.232 0.058 -3.031) 3.272 9.881 ( -2.598 -1.791 -2.865) 4.262 10.264 ( 1.605 -0.495 6.265) 6.486 10.450 ( 1.354 1.890 -6.857) 7.240 10.790 ( -1.564 3.038 2.268) 4.101 10.927 ( 2.382 -4.060 -2.384) 5.276 11.498 ( -1.181 -0.275 2.423) 2.709 11.704 ( -3.027 0.092 -1.486) 3.373 12.110 ( 1.074 1.972 6.049) 6.452 12.188 ( 1.412 -0.870 3.838) 4.181 12.460 ( -0.945 -0.885 -2.972) 3.242 12.486 ( 1.381 -0.042 -3.334) 3.609 13.274 ( 0.067 0.222 2.836) 2.845 13.315 ( -1.621 -1.340 -3.254) 3.875 14.290 ( -7.267 0.084 12.650) 14.589 14.706 ( 1.437 2.086 -16.802) 16.992 15.912 ( 0.614 0.343 7.090) 7.125 16.038 ( 0.735 -0.444 -5.515) 5.581 ======================= Grid point 328 (158/160) ======================= q-point: (-0.22 -0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -11.187 0.000 -3.171) 11.628 1.839 ( -11.364 0.000 8.974) 14.480 2.096 ( 5.570 -0.000 -10.274) 11.686 2.140 ( -7.327 0.000 -0.483) 7.343 2.588 ( -0.528 0.000 -4.839) 4.867 2.602 ( -7.374 0.000 -2.061) 7.656 2.748 ( -9.818 0.000 8.398) 12.920 3.216 ( -0.302 0.000 -3.207) 3.221 3.321 ( 4.915 -0.000 3.201) 5.865 3.325 ( 4.247 -0.000 8.033) 9.086 3.480 ( 7.636 -0.000 1.899) 7.868 3.521 ( 3.153 -0.000 -0.607) 3.211 3.677 ( -3.826 0.000 -3.009) 4.868 3.749 ( -3.544 0.000 10.516) 11.097 4.061 ( 1.504 -0.000 8.641) 8.771 4.128 ( 3.811 -0.000 -8.109) 8.960 4.243 ( -1.005 0.000 -3.155) 3.311 4.271 ( -3.882 0.000 13.986) 14.515 4.416 ( 1.391 -0.000 -1.352) 1.940 4.514 ( 2.079 -0.000 -4.233) 4.716 4.785 ( 1.735 -0.000 -2.306) 2.886 4.937 ( 0.686 -0.000 -6.770) 6.805 5.305 ( 1.470 -0.000 -1.839) 2.354 5.324 ( -0.288 0.000 -8.329) 8.334 6.015 ( -1.497 0.000 4.934) 5.156 6.147 ( -0.661 0.000 -1.730) 1.852 6.511 ( 3.162 -0.000 18.082) 18.356 6.771 ( -1.020 0.000 -2.303) 2.518 6.832 ( 1.716 -0.000 8.990) 9.152 7.216 ( 2.839 -0.000 -6.232) 6.848 7.352 ( 0.847 -0.000 -8.768) 8.809 7.357 ( 11.687 -0.000 -10.886) 15.972 8.884 ( 1.797 -0.000 5.708) 5.984 9.151 ( 1.432 -0.000 -0.382) 1.482 9.313 ( -0.046 0.000 7.586) 7.586 9.393 ( -3.096 0.000 -1.886) 3.625 9.521 ( -0.955 0.000 -3.911) 4.026 9.858 ( -3.424 0.000 -2.699) 4.360 10.260 ( 1.430 -0.000 7.494) 7.630 10.472 ( 1.112 -0.000 -7.502) 7.584 10.849 ( 0.166 -0.000 -8.303) 8.304 10.857 ( 0.051 -0.000 8.941) 8.941 11.496 ( -1.234 0.000 3.093) 3.330 11.705 ( -3.567 0.000 -1.733) 3.966 12.141 ( 3.819 -0.000 5.163) 6.422 12.168 ( -0.252 0.000 4.445) 4.452 12.450 ( -2.850 0.000 -2.764) 3.970 12.486 ( 2.227 -0.000 -4.028) 4.603 13.280 ( -0.446 0.000 3.841) 3.867 13.298 ( -1.997 0.000 -4.165) 4.619 14.291 ( -6.884 0.000 12.803) 14.536 14.728 ( 2.607 -0.000 -17.209) 17.406 15.916 ( 0.373 -0.000 6.998) 7.008 16.033 ( 0.583 -0.000 -5.639) 5.669 ======================= Grid point 329 (159/160) ======================= q-point: (-0.11 -0.22 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -6.383 -4.031 0.249) 7.554 1.645 ( -12.409 -2.252 11.674) 17.185 1.964 ( -12.903 -0.267 1.598) 13.005 2.149 ( 0.453 0.519 -13.257) 13.275 2.400 ( -10.921 4.329 -1.784) 11.882 2.519 ( -10.083 -6.433 -2.490) 12.217 2.660 ( -2.177 0.460 -2.654) 3.463 3.029 ( -16.649 -0.462 -2.904) 16.907 3.341 ( -1.354 -0.453 12.053) 12.137 3.427 ( 5.067 2.170 -5.315) 7.657 3.569 ( 1.788 4.239 9.068) 10.169 3.615 ( 1.508 2.866 8.411) 9.013 3.673 ( 12.648 1.536 0.959) 12.777 3.754 ( -0.108 -7.399 5.525) 9.235 3.993 ( -6.672 0.578 3.429) 7.524 4.163 ( 2.050 2.576 -9.465) 10.021 4.228 ( 0.961 2.411 11.363) 11.656 4.334 ( 3.788 -5.793 -2.971) 7.532 4.467 ( 4.250 0.760 2.957) 5.233 4.541 ( 2.085 0.479 -5.597) 5.991 4.810 ( 1.011 -0.360 -1.646) 1.965 4.927 ( -1.830 0.376 -7.366) 7.599 5.308 ( 0.603 1.492 -3.488) 3.841 5.335 ( 0.351 -1.207 -5.733) 5.869 5.998 ( -0.834 -0.584 4.666) 4.776 6.135 ( -0.820 -0.270 -2.314) 2.470 6.627 ( 8.513 -0.150 10.201) 13.287 6.771 ( 0.914 -0.194 -1.160) 1.490 6.912 ( 9.293 0.990 14.219) 17.016 7.229 ( -0.187 0.462 2.564) 2.612 7.355 ( 0.707 1.203 -8.535) 8.648 7.615 ( 17.512 1.433 -16.810) 24.316 8.893 ( -1.134 0.059 6.716) 6.811 9.158 ( -0.981 1.710 -2.562) 3.233 9.292 ( -2.593 0.982 5.071) 5.779 9.320 ( -3.920 -1.725 2.148) 4.792 9.515 ( -0.138 0.517 -3.730) 3.768 9.791 ( -5.000 -1.769 -4.845) 7.184 10.303 ( 3.052 -0.661 7.887) 8.483 10.483 ( 1.179 0.776 -7.107) 7.246 10.836 ( 2.996 4.485 0.465) 5.414 10.937 ( 4.442 -5.318 -0.615) 6.956 11.462 ( -2.783 -0.181 2.848) 3.986 11.630 ( -5.001 -0.463 -0.736) 5.076 12.151 ( 0.788 2.948 6.379) 7.071 12.220 ( 3.691 -1.452 4.686) 6.140 12.452 ( 2.313 -1.398 -2.016) 3.372 12.542 ( 4.227 0.189 -4.559) 6.220 13.275 ( -0.283 -0.465 -3.207) 3.253 13.286 ( 0.051 -0.903 1.880) 2.086 14.086 ( -17.044 0.205 12.292) 21.015 14.650 ( -10.424 2.068 -19.008) 21.777 15.944 ( 2.633 0.028 6.963) 7.444 16.061 ( 2.403 -0.347 -5.624) 6.126 ======================= Grid point 338 (160/160) ======================= q-point: (-0.11 -0.11 0.43) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.25e-05 5.25e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.350 -0.000 3.440) 3.458 1.430 ( -11.328 0.000 14.088) 18.078 1.720 ( -14.748 0.000 6.023) 15.931 2.081 ( -8.290 0.000 -18.544) 20.312 2.212 ( -11.363 0.000 -0.594) 11.378 2.380 ( -3.817 0.000 -4.786) 6.122 2.620 ( -2.986 0.000 -2.470) 3.875 2.753 ( -14.215 0.000 -2.703) 14.470 3.280 ( -5.829 0.000 21.110) 21.900 3.485 ( 1.381 -0.000 -10.239) 10.332 3.515 ( -5.943 0.000 13.506) 14.756 3.666 ( 3.659 -0.000 11.224) 11.806 3.798 ( 2.813 -0.000 -10.661) 11.026 3.902 ( 11.015 -0.000 2.521) 11.300 3.913 ( 0.782 -0.000 6.447) 6.494 4.199 ( 0.917 -0.000 -9.312) 9.357 4.274 ( 1.490 -0.000 12.169) 12.260 4.371 ( 3.851 -0.000 -4.410) 5.855 4.532 ( 2.515 -0.000 6.402) 6.879 4.583 ( 2.650 -0.000 -7.622) 8.069 4.807 ( -0.855 0.000 -1.383) 1.626 4.875 ( -4.324 0.000 -7.461) 8.623 5.323 ( 0.490 -0.000 -4.713) 4.738 5.332 ( 0.201 -0.000 -4.125) 4.130 5.986 ( -0.324 0.000 4.744) 4.755 6.118 ( -0.901 0.000 -3.003) 3.135 6.740 ( 4.493 -0.000 3.550) 5.726 6.796 ( 2.000 -0.000 -1.304) 2.387 7.190 ( 20.785 -0.000 15.150) 25.721 7.223 ( -0.745 0.000 4.434) 4.496 7.372 ( 1.985 -0.000 -5.741) 6.075 7.936 ( 18.018 -0.000 -14.634) 23.213 8.846 ( -4.712 0.000 8.654) 9.854 9.077 ( -9.039 0.000 -5.324) 10.490 9.275 ( 0.892 -0.000 -0.489) 1.017 9.275 ( -1.750 0.000 5.305) 5.587 9.511 ( -0.758 0.000 -2.241) 2.366 9.694 ( -5.131 0.000 -4.176) 6.616 10.355 ( 3.426 -0.000 6.564) 7.404 10.513 ( 2.108 -0.000 -6.005) 6.364 10.949 ( 5.699 -0.000 -3.856) 6.881 11.005 ( 7.974 -0.000 3.883) 8.869 11.413 ( -2.339 0.000 3.032) 3.829 11.542 ( -4.657 0.000 -0.343) 4.670 12.205 ( 4.055 -0.000 5.787) 7.066 12.281 ( 3.980 -0.000 7.146) 8.180 12.517 ( 6.368 -0.000 -2.863) 6.981 12.617 ( 4.438 -0.000 -3.758) 5.815 13.259 ( -0.949 0.000 -6.451) 6.520 13.295 ( 1.016 -0.000 4.079) 4.204 13.741 ( -23.060 0.000 9.895) 25.094 14.382 ( -21.861 0.000 -19.068) 29.009 15.994 ( 2.700 -0.000 6.712) 7.234 16.103 ( 2.685 -0.000 -5.563) 6.177 =================== 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 3/30618 10.0 270.585 247.338 184.963 0.000 -11.044 -0.000 3/30618 20.0 51.777 40.375 39.268 0.000 -1.756 -0.000 3/30618 30.0 20.189 14.128 15.989 0.000 -0.415 -0.000 3/30618 40.0 11.123 7.279 9.185 0.000 -0.102 -0.000 3/30618 50.0 7.385 4.657 6.345 0.000 -0.010 -0.000 3/30618 60.0 5.466 3.378 4.862 0.000 0.019 -0.000 3/30618 70.0 4.332 2.646 3.968 0.000 0.028 -0.000 3/30618 80.0 3.594 2.178 3.373 0.000 0.030 -0.000 3/30618 90.0 3.081 1.855 2.948 0.000 0.029 -0.000 3/30618 100.0 2.705 1.620 2.630 0.000 0.027 -0.000 3/30618 110.0 2.421 1.440 2.381 0.000 0.025 -0.000 3/30618 120.0 2.197 1.300 2.181 0.000 0.023 -0.000 3/30618 130.0 2.018 1.186 2.017 0.000 0.021 -0.000 3/30618 140.0 1.870 1.092 1.878 0.000 0.019 -0.000 3/30618 150.0 1.747 1.013 1.760 0.000 0.018 -0.000 3/30618 160.0 1.641 0.945 1.657 0.000 0.016 -0.000 3/30618 170.0 1.550 0.887 1.567 0.000 0.015 -0.000 3/30618 180.0 1.470 0.836 1.487 0.000 0.013 -0.000 3/30618 190.0 1.399 0.791 1.416 0.000 0.012 -0.000 3/30618 200.0 1.335 0.750 1.351 0.000 0.011 -0.000 3/30618 210.0 1.277 0.714 1.293 0.000 0.010 -0.000 3/30618 220.0 1.225 0.682 1.240 0.000 0.010 -0.000 3/30618 230.0 1.177 0.652 1.191 0.000 0.009 -0.000 3/30618 240.0 1.133 0.625 1.145 0.000 0.008 -0.000 3/30618 250.0 1.093 0.600 1.104 0.000 0.008 -0.000 3/30618 260.0 1.055 0.577 1.065 0.000 0.007 -0.000 3/30618 270.0 1.020 0.556 1.029 0.000 0.007 -0.000 3/30618 280.0 0.987 0.537 0.995 0.000 0.006 -0.000 3/30618 290.0 0.956 0.518 0.963 0.000 0.006 -0.000 3/30618 300.0 0.928 0.501 0.934 0.000 0.005 -0.000 3/30618 310.0 0.900 0.485 0.906 0.000 0.005 -0.000 3/30618 320.0 0.875 0.470 0.880 0.000 0.005 -0.000 3/30618 330.0 0.851 0.456 0.855 0.000 0.004 -0.000 3/30618 340.0 0.828 0.443 0.831 0.000 0.004 -0.000 3/30618 350.0 0.806 0.431 0.809 0.000 0.004 -0.000 3/30618 360.0 0.785 0.419 0.788 0.000 0.004 -0.000 3/30618 370.0 0.766 0.408 0.768 0.000 0.004 -0.000 3/30618 380.0 0.747 0.397 0.749 0.000 0.003 -0.000 3/30618 390.0 0.729 0.387 0.731 0.000 0.003 -0.000 3/30618 400.0 0.712 0.378 0.714 0.000 0.003 -0.000 3/30618 410.0 0.696 0.369 0.697 0.000 0.003 -0.000 3/30618 420.0 0.681 0.360 0.681 0.000 0.003 -0.000 3/30618 430.0 0.666 0.352 0.666 0.000 0.003 -0.000 3/30618 440.0 0.652 0.344 0.652 0.000 0.003 -0.000 3/30618 450.0 0.638 0.336 0.638 0.000 0.002 -0.000 3/30618 460.0 0.625 0.329 0.625 0.000 0.002 -0.000 3/30618 470.0 0.612 0.322 0.612 0.000 0.002 -0.000 3/30618 480.0 0.600 0.316 0.600 0.000 0.002 -0.000 3/30618 490.0 0.589 0.309 0.588 0.000 0.002 -0.000 3/30618 500.0 0.578 0.303 0.577 0.000 0.002 -0.000 3/30618 510.0 0.567 0.297 0.566 0.000 0.002 -0.000 3/30618 520.0 0.556 0.292 0.555 0.000 0.002 -0.000 3/30618 530.0 0.546 0.286 0.545 0.000 0.002 -0.000 3/30618 540.0 0.537 0.281 0.535 0.000 0.002 -0.000 3/30618 550.0 0.527 0.276 0.526 0.000 0.002 -0.000 3/30618 560.0 0.518 0.271 0.517 0.000 0.002 -0.000 3/30618 570.0 0.510 0.266 0.508 0.000 0.002 -0.000 3/30618 580.0 0.501 0.262 0.500 0.000 0.002 -0.000 3/30618 590.0 0.493 0.257 0.491 0.000 0.002 -0.000 3/30618 600.0 0.485 0.253 0.483 0.000 0.001 -0.000 3/30618 610.0 0.477 0.249 0.476 0.000 0.001 -0.000 3/30618 620.0 0.470 0.245 0.468 0.000 0.001 -0.000 3/30618 630.0 0.463 0.241 0.461 0.000 0.001 -0.000 3/30618 640.0 0.456 0.237 0.454 0.000 0.001 -0.000 3/30618 650.0 0.449 0.234 0.447 0.000 0.001 -0.000 3/30618 660.0 0.442 0.230 0.441 0.000 0.001 -0.000 3/30618 670.0 0.436 0.227 0.434 0.000 0.001 -0.000 3/30618 680.0 0.430 0.224 0.428 0.000 0.001 -0.000 3/30618 690.0 0.424 0.220 0.422 0.000 0.001 -0.000 3/30618 700.0 0.418 0.217 0.416 0.000 0.001 -0.000 3/30618 710.0 0.412 0.214 0.410 0.000 0.001 -0.000 3/30618 720.0 0.407 0.211 0.405 0.000 0.001 -0.000 3/30618 730.0 0.401 0.208 0.399 0.000 0.001 -0.000 3/30618 740.0 0.396 0.206 0.394 0.000 0.001 -0.000 3/30618 750.0 0.391 0.203 0.389 0.000 0.001 -0.000 3/30618 760.0 0.386 0.200 0.384 0.000 0.001 -0.000 3/30618 770.0 0.381 0.198 0.379 0.000 0.001 -0.000 3/30618 780.0 0.376 0.195 0.374 0.000 0.001 -0.000 3/30618 790.0 0.371 0.193 0.369 0.000 0.001 -0.000 3/30618 800.0 0.367 0.190 0.365 0.000 0.001 -0.000 3/30618 810.0 0.362 0.188 0.360 0.000 0.001 -0.000 3/30618 820.0 0.358 0.186 0.356 0.000 0.001 -0.000 3/30618 830.0 0.354 0.183 0.352 0.000 0.001 -0.000 3/30618 840.0 0.350 0.181 0.348 0.000 0.001 -0.000 3/30618 850.0 0.346 0.179 0.344 0.000 0.001 -0.000 3/30618 860.0 0.342 0.177 0.340 0.000 0.001 -0.000 3/30618 870.0 0.338 0.175 0.336 0.000 0.001 -0.000 3/30618 880.0 0.334 0.173 0.332 0.000 0.001 -0.000 3/30618 890.0 0.331 0.171 0.329 0.000 0.001 -0.000 3/30618 900.0 0.327 0.169 0.325 0.000 0.001 -0.000 3/30618 910.0 0.323 0.167 0.321 0.000 0.001 -0.000 3/30618 920.0 0.320 0.166 0.318 0.000 0.001 -0.000 3/30618 930.0 0.317 0.164 0.315 0.000 0.001 -0.000 3/30618 940.0 0.313 0.162 0.311 0.000 0.001 -0.000 3/30618 950.0 0.310 0.160 0.308 0.000 0.001 -0.000 3/30618 960.0 0.307 0.159 0.305 0.000 0.001 -0.000 3/30618 970.0 0.304 0.157 0.302 0.000 0.001 -0.000 3/30618 980.0 0.301 0.155 0.299 0.000 0.001 -0.000 3/30618 990.0 0.298 0.154 0.296 0.000 0.001 -0.000 3/30618 1000.0 0.295 0.152 0.293 0.000 0.001 -0.000 3/30618 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:31:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|