----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:36:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.165371035016129 -2.801605135000000 0.000000000000000 b 8.165371035016129 2.801605135000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): *1 Te 0.60427246756558 0.60427246756557 0.54953567580744 127.600 *2 Te 0.12714879250226 0.12714879250226 0.09827366477918 127.600 3 Te 0.87285120749774 0.87285120749774 0.90172633522082 127.600 4 Te 0.39572753243442 0.39572753243442 0.45046432419256 127.600 *5 Pb 0.33903729072140 0.33903729072140 0.10432648995046 207.200 *6 Pb 0.26056090730307 0.26056090730307 0.70029630708898 207.200 7 Pb 0.66096270927860 0.66096270927860 0.89567351004954 207.200 *8 Pb 0.02011433083421 0.02011433083421 0.69999669986997 207.200 9 Pb 0.97988566916579 0.97988566916579 0.30000330013003 207.200 10 Pb 0.73943909269693 0.73943909269693 0.29970369291102 207.200 *11 Cl 0.81645044366998 0.81645044366998 0.59892830885559 35.453 *12 Cl 0.45681811909078 0.45681811909078 0.79529568764765 35.453 13 Cl 0.54318188090922 0.54318188090922 0.20470431235236 35.453 14 Cl 0.18354955633002 0.18354955633002 0.40107169114441 35.453 *15 O 0.96878704564130 0.45262284267282 0.11476047673789 15.999 *16 O 0.10095079516206 0.10095079516206 0.92011364457752 15.999 *17 O 0.13112209217028 0.60251382820795 0.31516478154123 15.999 18 O 0.03121295435870 0.54737715732718 0.88523952326211 15.999 19 O 0.39748617179205 0.86887790782972 0.68483521845877 15.999 20 O 0.45262284267282 0.96878704564130 0.11476047673789 15.999 21 O 0.60251382820795 0.13112209217028 0.31516478154123 15.999 22 O 0.86887790782972 0.39748617179205 0.68483521845877 15.999 *23 O 0.28237004446381 0.71762995553619 0.50000000000000 15.999 24 O 0.89904920483794 0.89904920483794 0.07988635542248 15.999 25 O 0.54737715732718 0.03121295435870 0.88523952326211 15.999 26 O 0.71762995553619 0.28237004446381 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.330742070032258 0.000000000000000 0.000000000000000 b 0.000000000000000 5.603210270000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): *1 Te 0.10427246756557 0.50000000000000 0.54953567580744 127.600 > 1 *2 Te 0.12714879250226 0.00000000000000 0.09827366477918 127.600 > 2 3 Te 0.37285120749774 0.50000000000000 0.90172633522082 127.600 > 3 4 Te 0.39572753243442 0.00000000000000 0.45046432419256 127.600 > 4 5 Te 0.60427246756557 0.00000000000000 0.54953567580744 127.600 > 1 6 Te 0.62714879250226 0.50000000000000 0.09827366477918 127.600 > 2 7 Te 0.87285120749774 0.00000000000000 0.90172633522082 127.600 > 3 8 Te 0.89572753243443 0.50000000000000 0.45046432419256 127.600 > 4 *9 Pb 0.33903729072140 0.00000000000000 0.10432648995046 207.200 > 5 *10 Pb 0.26056090730307 0.00000000000000 0.70029630708898 207.200 > 6 11 Pb 0.16096270927860 0.50000000000000 0.89567351004954 207.200 > 7 *12 Pb 0.02011433083421 0.00000000000000 0.69999669986997 207.200 > 8 13 Pb 0.47988566916579 0.50000000000000 0.30000330013003 207.200 > 9 14 Pb 0.23943909269693 0.50000000000000 0.29970369291102 207.200 > 10 15 Pb 0.83903729072140 0.50000000000000 0.10432648995046 207.200 > 5 16 Pb 0.76056090730307 0.50000000000000 0.70029630708898 207.200 > 6 17 Pb 0.66096270927860 0.00000000000000 0.89567351004954 207.200 > 7 18 Pb 0.52011433083421 0.50000000000000 0.69999669986997 207.200 > 8 19 Pb 0.97988566916579 0.00000000000000 0.30000330013003 207.200 > 9 20 Pb 0.73943909269693 0.00000000000000 0.29970369291102 207.200 > 10 *21 Cl 0.31645044366998 0.50000000000000 0.59892830885559 35.453 > 11 *22 Cl 0.45681811909078 0.00000000000000 0.79529568764765 35.453 > 12 23 Cl 0.04318188090922 0.50000000000000 0.20470431235236 35.453 > 13 24 Cl 0.18354955633002 0.00000000000000 0.40107169114441 35.453 > 14 25 Cl 0.81645044366998 0.00000000000000 0.59892830885559 35.453 > 11 26 Cl 0.95681811909078 0.50000000000000 0.79529568764765 35.453 > 12 27 Cl 0.54318188090922 0.00000000000000 0.20470431235236 35.453 > 13 28 Cl 0.68354955633002 0.50000000000000 0.40107169114441 35.453 > 14 *29 O 0.21070494415706 0.24191789851576 0.11476047673789 15.999 > 15 *30 O 0.10095079516206 0.00000000000000 0.92011364457752 15.999 > 16 *31 O 0.36681796018912 0.23569586801883 0.31516478154123 15.999 > 17 32 O 0.28929505584294 0.25808210148424 0.88523952326211 15.999 > 18 33 O 0.13318203981088 0.73569586801883 0.68483521845877 15.999 > 19 34 O 0.21070494415706 0.75808210148424 0.11476047673789 15.999 > 20 35 O 0.36681796018912 0.76430413198117 0.31516478154123 15.999 > 21 36 O 0.13318203981088 0.26430413198117 0.68483521845877 15.999 > 22 *37 O 0.00000000000000 0.71762995553619 0.50000000000000 15.999 > 23 38 O 0.39904920483794 0.50000000000000 0.07988635542248 15.999 > 24 39 O 0.28929505584294 0.74191789851576 0.88523952326211 15.999 > 25 40 O 0.00000000000000 0.28237004446381 0.50000000000000 15.999 > 26 41 O 0.71070494415706 0.74191789851576 0.11476047673789 15.999 > 15 42 O 0.60095079516206 0.50000000000000 0.92011364457752 15.999 > 16 43 O 0.86681796018912 0.73569586801883 0.31516478154123 15.999 > 17 44 O 0.78929505584294 0.75808210148424 0.88523952326211 15.999 > 18 45 O 0.63318203981088 0.23569586801883 0.68483521845877 15.999 > 19 46 O 0.71070494415706 0.25808210148424 0.11476047673789 15.999 > 20 47 O 0.86681796018912 0.26430413198117 0.31516478154123 15.999 > 21 48 O 0.63318203981088 0.76430413198117 0.68483521845877 15.999 > 22 49 O 0.50000000000000 0.21762995553619 0.50000000000000 15.999 > 23 50 O 0.89904920483794 0.00000000000000 0.07988635542248 15.999 > 24 51 O 0.78929505584294 0.24191789851576 0.88523952326211 15.999 > 25 52 O 0.50000000000000 0.78237004446381 0.50000000000000 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.330742070032258 0.000000000000000 0.000000000000000 b 0.000000000000000 11.206420540000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): *1 Te 0.10427246756557 0.25000000000000 0.54953567580744 127.600 > 1 2 Te 0.10427246756557 0.75000000000000 0.54953567580744 127.600 > 1 *3 Te 0.12714879250226 0.00000000000000 0.09827366477918 127.600 > 2 4 Te 0.12714879250226 0.50000000000000 0.09827366477918 127.600 > 2 5 Te 0.37285120749774 0.25000000000000 0.90172633522082 127.600 > 3 6 Te 0.37285120749774 0.75000000000000 0.90172633522082 127.600 > 3 7 Te 0.39572753243442 0.00000000000000 0.45046432419256 127.600 > 4 8 Te 0.39572753243442 0.50000000000000 0.45046432419256 127.600 > 4 9 Te 0.60427246756557 0.00000000000000 0.54953567580744 127.600 > 1 10 Te 0.60427246756557 0.50000000000000 0.54953567580744 127.600 > 1 11 Te 0.62714879250226 0.25000000000000 0.09827366477918 127.600 > 2 12 Te 0.62714879250226 0.75000000000000 0.09827366477918 127.600 > 2 13 Te 0.87285120749774 0.00000000000000 0.90172633522082 127.600 > 3 14 Te 0.87285120749774 0.50000000000000 0.90172633522082 127.600 > 3 15 Te 0.89572753243443 0.25000000000000 0.45046432419256 127.600 > 4 16 Te 0.89572753243443 0.75000000000000 0.45046432419256 127.600 > 4 *17 Pb 0.33903729072140 0.00000000000000 0.10432648995046 207.200 > 5 18 Pb 0.33903729072140 0.50000000000000 0.10432648995046 207.200 > 5 *19 Pb 0.26056090730307 0.00000000000000 0.70029630708898 207.200 > 6 20 Pb 0.26056090730307 0.50000000000000 0.70029630708898 207.200 > 6 21 Pb 0.16096270927860 0.25000000000000 0.89567351004954 207.200 > 7 22 Pb 0.16096270927860 0.75000000000000 0.89567351004954 207.200 > 7 *23 Pb 0.02011433083421 0.00000000000000 0.69999669986997 207.200 > 8 24 Pb 0.02011433083421 0.50000000000000 0.69999669986997 207.200 > 8 25 Pb 0.47988566916579 0.25000000000000 0.30000330013003 207.200 > 9 26 Pb 0.47988566916579 0.75000000000000 0.30000330013003 207.200 > 9 27 Pb 0.23943909269693 0.25000000000000 0.29970369291102 207.200 > 10 28 Pb 0.23943909269693 0.75000000000000 0.29970369291102 207.200 > 10 29 Pb 0.83903729072140 0.25000000000000 0.10432648995046 207.200 > 5 30 Pb 0.83903729072140 0.75000000000000 0.10432648995046 207.200 > 5 31 Pb 0.76056090730307 0.25000000000000 0.70029630708898 207.200 > 6 32 Pb 0.76056090730307 0.75000000000000 0.70029630708898 207.200 > 6 33 Pb 0.66096270927860 0.00000000000000 0.89567351004954 207.200 > 7 34 Pb 0.66096270927860 0.50000000000000 0.89567351004954 207.200 > 7 35 Pb 0.52011433083421 0.25000000000000 0.69999669986997 207.200 > 8 36 Pb 0.52011433083421 0.75000000000000 0.69999669986997 207.200 > 8 37 Pb 0.97988566916579 0.00000000000000 0.30000330013003 207.200 > 9 38 Pb 0.97988566916579 0.50000000000000 0.30000330013003 207.200 > 9 39 Pb 0.73943909269693 0.00000000000000 0.29970369291102 207.200 > 10 40 Pb 0.73943909269693 0.50000000000000 0.29970369291102 207.200 > 10 *41 Cl 0.31645044366998 0.25000000000000 0.59892830885559 35.453 > 11 42 Cl 0.31645044366998 0.75000000000000 0.59892830885559 35.453 > 11 *43 Cl 0.45681811909078 0.00000000000000 0.79529568764765 35.453 > 12 44 Cl 0.45681811909078 0.50000000000000 0.79529568764765 35.453 > 12 45 Cl 0.04318188090922 0.25000000000000 0.20470431235236 35.453 > 13 46 Cl 0.04318188090922 0.75000000000000 0.20470431235236 35.453 > 13 47 Cl 0.18354955633002 0.00000000000000 0.40107169114441 35.453 > 14 48 Cl 0.18354955633002 0.50000000000000 0.40107169114441 35.453 > 14 49 Cl 0.81645044366998 0.00000000000000 0.59892830885559 35.453 > 11 50 Cl 0.81645044366998 0.50000000000000 0.59892830885559 35.453 > 11 51 Cl 0.95681811909078 0.25000000000000 0.79529568764765 35.453 > 12 52 Cl 0.95681811909078 0.75000000000000 0.79529568764765 35.453 > 12 53 Cl 0.54318188090922 0.00000000000000 0.20470431235236 35.453 > 13 54 Cl 0.54318188090922 0.50000000000000 0.20470431235236 35.453 > 13 55 Cl 0.68354955633002 0.25000000000000 0.40107169114441 35.453 > 14 56 Cl 0.68354955633002 0.75000000000000 0.40107169114441 35.453 > 14 *57 O 0.21070494415706 0.12095894925788 0.11476047673789 15.999 > 15 58 O 0.21070494415706 0.62095894925788 0.11476047673789 15.999 > 15 *59 O 0.10095079516206 0.00000000000000 0.92011364457752 15.999 > 16 60 O 0.10095079516206 0.50000000000000 0.92011364457752 15.999 > 16 *61 O 0.36681796018912 0.11784793400942 0.31516478154123 15.999 > 17 62 O 0.36681796018912 0.61784793400942 0.31516478154123 15.999 > 17 63 O 0.28929505584294 0.12904105074212 0.88523952326211 15.999 > 18 64 O 0.28929505584294 0.62904105074212 0.88523952326211 15.999 > 18 65 O 0.13318203981088 0.36784793400942 0.68483521845877 15.999 > 19 66 O 0.13318203981088 0.86784793400942 0.68483521845877 15.999 > 19 67 O 0.21070494415706 0.37904105074212 0.11476047673789 15.999 > 20 68 O 0.21070494415706 0.87904105074212 0.11476047673789 15.999 > 20 69 O 0.36681796018912 0.38215206599058 0.31516478154123 15.999 > 21 70 O 0.36681796018912 0.88215206599058 0.31516478154123 15.999 > 21 71 O 0.13318203981088 0.13215206599058 0.68483521845877 15.999 > 22 72 O 0.13318203981088 0.63215206599058 0.68483521845877 15.999 > 22 *73 O 0.00000000000000 0.35881497776810 0.50000000000000 15.999 > 23 74 O 0.00000000000000 0.85881497776810 0.50000000000000 15.999 > 23 75 O 0.39904920483794 0.25000000000000 0.07988635542248 15.999 > 24 76 O 0.39904920483794 0.75000000000000 0.07988635542248 15.999 > 24 77 O 0.28929505584294 0.37095894925788 0.88523952326211 15.999 > 25 78 O 0.28929505584294 0.87095894925788 0.88523952326211 15.999 > 25 79 O 0.00000000000000 0.14118502223190 0.50000000000000 15.999 > 26 80 O 0.00000000000000 0.64118502223190 0.50000000000000 15.999 > 26 81 O 0.71070494415706 0.37095894925788 0.11476047673789 15.999 > 15 82 O 0.71070494415706 0.87095894925788 0.11476047673789 15.999 > 15 83 O 0.60095079516206 0.25000000000000 0.92011364457752 15.999 > 16 84 O 0.60095079516206 0.75000000000000 0.92011364457752 15.999 > 16 85 O 0.86681796018912 0.36784793400942 0.31516478154123 15.999 > 17 86 O 0.86681796018912 0.86784793400942 0.31516478154123 15.999 > 17 87 O 0.78929505584294 0.37904105074212 0.88523952326211 15.999 > 18 88 O 0.78929505584294 0.87904105074212 0.88523952326211 15.999 > 18 89 O 0.63318203981088 0.11784793400942 0.68483521845877 15.999 > 19 90 O 0.63318203981088 0.61784793400942 0.68483521845877 15.999 > 19 91 O 0.71070494415706 0.12904105074212 0.11476047673789 15.999 > 20 92 O 0.71070494415706 0.62904105074212 0.11476047673789 15.999 > 20 93 O 0.86681796018912 0.13215206599058 0.31516478154123 15.999 > 21 94 O 0.86681796018912 0.63215206599058 0.31516478154123 15.999 > 21 95 O 0.63318203981088 0.38215206599058 0.68483521845877 15.999 > 22 96 O 0.63318203981088 0.88215206599058 0.68483521845877 15.999 > 22 97 O 0.50000000000000 0.10881497776810 0.50000000000000 15.999 > 23 98 O 0.50000000000000 0.60881497776810 0.50000000000000 15.999 > 23 99 O 0.89904920483794 0.00000000000000 0.07988635542248 15.999 > 24 100 O 0.89904920483794 0.50000000000000 0.07988635542248 15.999 > 24 101 O 0.78929505584294 0.12095894925788 0.88523952326211 15.999 > 25 102 O 0.78929505584294 0.62095894925788 0.88523952326211 15.999 > 25 103 O 0.50000000000000 0.39118502223190 0.50000000000000 15.999 > 26 104 O 0.50000000000000 0.89118502223190 0.50000000000000 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3113967 0.0000000 0.3202659 0.0000000 5.5318141 0.0000000 0.3202662 0.0000000 5.4452456 -------------------------- Born effective charges -------------------------- 1 Te 3.9835941 -0.0000000 1.1079344 0.0000000 4.3456506 -0.0000000 1.5036171 -0.0000000 3.9751080 2 Te 3.0239679 -0.0000000 0.2585261 0.0000000 3.5252790 -0.0000000 0.3634001 -0.0000000 3.9307888 3 Te 3.0239679 -0.0000000 0.2585261 0.0000000 3.5252790 -0.0000000 0.3634001 -0.0000000 3.9307888 4 Te 3.9835941 -0.0000000 1.1079344 0.0000000 4.3456506 -0.0000000 1.5036171 -0.0000000 3.9751080 5 Pb 3.2064047 -0.0000000 0.3716178 0.0000000 3.1330703 -0.0000000 0.1197361 -0.0000000 3.7922980 6 Pb 3.3815799 -0.0000000 0.5011392 0.0000000 4.0776369 -0.0000000 0.4675406 -0.0000000 3.4817138 7 Pb 3.2064047 -0.0000000 0.3716178 0.0000000 3.1330703 -0.0000000 0.1197361 -0.0000000 3.7922980 8 Pb 3.3828083 -0.0000000 0.2238877 0.0000000 3.8883799 -0.0000000 -0.0261538 -0.0000000 3.5788112 9 Pb 3.3828083 -0.0000000 0.2238877 0.0000000 3.8883799 -0.0000000 -0.0261538 -0.0000000 3.5788112 10 Pb 3.3815799 -0.0000000 0.5011392 0.0000000 4.0776369 -0.0000000 0.4675406 -0.0000000 3.4817138 11 Cl -1.7677580 -0.0000000 -0.1077428 0.0000000 -1.8540638 -0.0000000 -0.1709619 -0.0000000 -2.0740491 12 Cl -2.2082815 -0.0000000 -0.0452009 0.0000000 -2.1659526 -0.0000000 -0.0721529 -0.0000000 -1.2303307 13 Cl -2.2082815 -0.0000000 -0.0452009 0.0000000 -2.1659526 -0.0000000 -0.0721529 -0.0000000 -1.2303307 14 Cl -1.7677580 -0.0000000 -0.1077428 0.0000000 -1.8540638 -0.0000000 -0.1709619 -0.0000000 -2.0740491 15 O -2.2192945 -0.1090383 -0.0870863 -0.5179717 -2.5799688 -0.3871309 -0.3761115 -0.5150755 -2.1174774 16 O -1.1930964 -0.0000000 -0.7966422 0.0000000 -1.6381181 -0.0000000 -0.1451395 -0.0000000 -4.0172974 17 O -2.2525833 0.1296057 -0.4201358 -0.1449257 -2.9044256 0.7504127 -0.0309312 0.5542772 -2.5549735 18 O -2.2192945 -0.1090383 -0.0870863 -0.5179717 -2.5799688 -0.3871309 -0.3761115 -0.5150755 -2.1174774 19 O -2.2525833 -0.1296057 -0.4201358 0.1449257 -2.9044256 -0.7504127 -0.0309312 -0.5542772 -2.5549735 20 O -2.2192945 0.1090383 -0.0870863 0.5179717 -2.5799688 0.3871309 -0.3761115 0.5150755 -2.1174774 21 O -2.2525833 -0.1296057 -0.4201358 0.1449257 -2.9044256 -0.7504127 -0.0309312 -0.5542772 -2.5549735 22 O -2.2525833 0.1296057 -0.4201358 -0.1449257 -2.9044256 0.7504127 -0.0309312 0.5542772 -2.5549735 23 O -2.8654636 -0.0000000 -0.4990750 0.0000000 -2.3430937 -0.0000000 -1.2258004 -0.0000000 -2.0921408 24 O -1.1930964 -0.0000000 -0.7966422 0.0000000 -1.6381181 -0.0000000 -0.1451395 -0.0000000 -4.0172974 25 O -2.2192945 0.1090383 -0.0870863 0.5179717 -2.5799688 0.3871309 -0.3761115 0.5150755 -2.1174774 26 O -2.8654636 -0.0000000 -0.4990750 0.0000000 -2.3430937 -0.0000000 -1.2258004 -0.0000000 -2.0921408 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 14154/14154 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3225 Number of blocks in projector: 3225 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: 808 Use submatrix version of eigh solver. (1) Block: 500 / 808 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 808 / 808 (1) 293 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 246 eigenvectors found. (2) Block: 544 / 544 (2) 290 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 246 eigenvectors found. (2) Block: 544 / 544 (2) 290 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 443 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 443 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 443 Use standard eigh solver. Tree of FC basis block matrices: - (3225, 3163), data: False |-- (443, 432), data: True |-- (443, 432), data: True |-- (443, 432), data: True |-- (544, 540), data: False |-- (544, 540), data: False |-- (544, 4), data: (544, 8) @ (8, 4) |-- (294, 290), data: True |-- (250, 246), data: True |-- (544, 540), data: False |-- (544, 540), data: False |-- (544, 4), data: (544, 8) @ (8, 4) |-- (294, 290), data: True |-- (250, 246), data: True |-- (808, 787), data: False |-- (808, 15), data: (808, 36) @ (36, 15) |-- (308, 293), data: True |-- (500, 479), data: False |-- (500, 15), data: (500, 36) @ (36, 15) |-- (250, 229), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.786 Solver_block: 200 / 800 - Time: 0.668 Solver_block: 300 / 800 - Time: 0.663 Solver_block: 400 / 800 - Time: 0.665 Solver_block: 500 / 800 - Time: 0.666 Solver_block: 600 / 800 - Time: 0.670 Solver_block: 700 / 800 - Time: 0.659 Solver_block: 800 / 800 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.578 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 14154/14154 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3225 Number of blocks in projector: 3225 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: 808 Use submatrix version of eigh solver. (1) Block: 500 / 808 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 808 / 808 (1) 293 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 246 eigenvectors found. (2) Block: 544 / 544 (2) 290 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 246 eigenvectors found. (2) Block: 544 / 544 (2) 290 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 443 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 443 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 443 Use standard eigh solver. Tree of FC basis block matrices: - (3225, 3163), data: False |-- (443, 432), data: True |-- (443, 432), data: True |-- (443, 432), data: True |-- (544, 540), data: False |-- (544, 540), data: False |-- (544, 4), data: (544, 8) @ (8, 4) |-- (294, 290), data: True |-- (250, 246), data: True |-- (544, 540), data: False |-- (544, 540), data: False |-- (544, 4), data: (544, 8) @ (8, 4) |-- (294, 290), data: True |-- (250, 246), data: True |-- (808, 787), data: False |-- (808, 15), data: (808, 36) @ (36, 15) |-- (308, 293), data: True |-- (500, 479), data: False |-- (500, 15), data: (500, 36) @ (36, 15) |-- (250, 229), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 11:36:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:36:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.165371035016129 -2.801605135000000 0.000000000000000 b 8.165371035016129 2.801605135000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): 1 Te 0.60427246756558 0.60427246756557 0.54953567580744 127.600 2 Te 0.12714879250226 0.12714879250226 0.09827366477918 127.600 3 Te 0.87285120749774 0.87285120749774 0.90172633522082 127.600 4 Te 0.39572753243442 0.39572753243442 0.45046432419256 127.600 5 Pb 0.33903729072140 0.33903729072140 0.10432648995046 207.200 6 Pb 0.26056090730307 0.26056090730307 0.70029630708898 207.200 7 Pb 0.66096270927860 0.66096270927860 0.89567351004954 207.200 8 Pb 0.02011433083421 0.02011433083421 0.69999669986997 207.200 9 Pb 0.97988566916579 0.97988566916579 0.30000330013003 207.200 10 Pb 0.73943909269693 0.73943909269693 0.29970369291102 207.200 11 Cl 0.81645044366998 0.81645044366998 0.59892830885559 35.453 12 Cl 0.45681811909078 0.45681811909078 0.79529568764765 35.453 13 Cl 0.54318188090922 0.54318188090922 0.20470431235236 35.453 14 Cl 0.18354955633002 0.18354955633002 0.40107169114441 35.453 15 O 0.96878704564130 0.45262284267282 0.11476047673789 15.999 16 O 0.10095079516206 0.10095079516206 0.92011364457752 15.999 17 O 0.13112209217028 0.60251382820795 0.31516478154123 15.999 18 O 0.03121295435870 0.54737715732718 0.88523952326211 15.999 19 O 0.39748617179205 0.86887790782972 0.68483521845877 15.999 20 O 0.45262284267282 0.96878704564130 0.11476047673789 15.999 21 O 0.60251382820795 0.13112209217028 0.31516478154123 15.999 22 O 0.86887790782972 0.39748617179205 0.68483521845877 15.999 23 O 0.28237004446381 0.71762995553619 0.50000000000000 15.999 24 O 0.89904920483794 0.89904920483794 0.07988635542248 15.999 25 O 0.54737715732718 0.03121295435870 0.88523952326211 15.999 26 O 0.71762995553619 0.28237004446381 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.330742070032258 0.000000000000000 0.000000000000000 b 0.000000000000000 11.206420540000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): 1 Te 0.10427246756557 0.25000000000000 0.54953567580744 127.600 > 1 2 Te 0.10427246756557 0.75000000000000 0.54953567580744 127.600 > 1 3 Te 0.12714879250226 0.00000000000000 0.09827366477918 127.600 > 3 4 Te 0.12714879250226 0.50000000000000 0.09827366477918 127.600 > 3 5 Te 0.37285120749774 0.25000000000000 0.90172633522082 127.600 > 5 6 Te 0.37285120749774 0.75000000000000 0.90172633522082 127.600 > 5 7 Te 0.39572753243442 0.00000000000000 0.45046432419256 127.600 > 7 8 Te 0.39572753243442 0.50000000000000 0.45046432419256 127.600 > 7 9 Te 0.60427246756557 0.00000000000000 0.54953567580744 127.600 > 1 10 Te 0.60427246756557 0.50000000000000 0.54953567580744 127.600 > 1 11 Te 0.62714879250226 0.25000000000000 0.09827366477918 127.600 > 3 12 Te 0.62714879250226 0.75000000000000 0.09827366477918 127.600 > 3 13 Te 0.87285120749774 0.00000000000000 0.90172633522082 127.600 > 5 14 Te 0.87285120749774 0.50000000000000 0.90172633522082 127.600 > 5 15 Te 0.89572753243443 0.25000000000000 0.45046432419256 127.600 > 7 16 Te 0.89572753243443 0.75000000000000 0.45046432419256 127.600 > 7 17 Pb 0.33903729072140 0.00000000000000 0.10432648995046 207.200 > 17 18 Pb 0.33903729072140 0.50000000000000 0.10432648995046 207.200 > 17 19 Pb 0.26056090730307 0.00000000000000 0.70029630708898 207.200 > 19 20 Pb 0.26056090730307 0.50000000000000 0.70029630708898 207.200 > 19 21 Pb 0.16096270927860 0.25000000000000 0.89567351004954 207.200 > 21 22 Pb 0.16096270927860 0.75000000000000 0.89567351004954 207.200 > 21 23 Pb 0.02011433083421 0.00000000000000 0.69999669986997 207.200 > 23 24 Pb 0.02011433083421 0.50000000000000 0.69999669986997 207.200 > 23 25 Pb 0.47988566916579 0.25000000000000 0.30000330013003 207.200 > 25 26 Pb 0.47988566916579 0.75000000000000 0.30000330013003 207.200 > 25 27 Pb 0.23943909269693 0.25000000000000 0.29970369291102 207.200 > 27 28 Pb 0.23943909269693 0.75000000000000 0.29970369291102 207.200 > 27 29 Pb 0.83903729072140 0.25000000000000 0.10432648995046 207.200 > 17 30 Pb 0.83903729072140 0.75000000000000 0.10432648995046 207.200 > 17 31 Pb 0.76056090730307 0.25000000000000 0.70029630708898 207.200 > 19 32 Pb 0.76056090730307 0.75000000000000 0.70029630708898 207.200 > 19 33 Pb 0.66096270927860 0.00000000000000 0.89567351004954 207.200 > 21 34 Pb 0.66096270927860 0.50000000000000 0.89567351004954 207.200 > 21 35 Pb 0.52011433083421 0.25000000000000 0.69999669986997 207.200 > 23 36 Pb 0.52011433083421 0.75000000000000 0.69999669986997 207.200 > 23 37 Pb 0.97988566916579 0.00000000000000 0.30000330013003 207.200 > 25 38 Pb 0.97988566916579 0.50000000000000 0.30000330013003 207.200 > 25 39 Pb 0.73943909269693 0.00000000000000 0.29970369291102 207.200 > 27 40 Pb 0.73943909269693 0.50000000000000 0.29970369291102 207.200 > 27 41 Cl 0.31645044366998 0.25000000000000 0.59892830885559 35.453 > 41 42 Cl 0.31645044366998 0.75000000000000 0.59892830885559 35.453 > 41 43 Cl 0.45681811909078 0.00000000000000 0.79529568764765 35.453 > 43 44 Cl 0.45681811909078 0.50000000000000 0.79529568764765 35.453 > 43 45 Cl 0.04318188090922 0.25000000000000 0.20470431235236 35.453 > 45 46 Cl 0.04318188090922 0.75000000000000 0.20470431235236 35.453 > 45 47 Cl 0.18354955633002 0.00000000000000 0.40107169114441 35.453 > 47 48 Cl 0.18354955633002 0.50000000000000 0.40107169114441 35.453 > 47 49 Cl 0.81645044366998 0.00000000000000 0.59892830885559 35.453 > 41 50 Cl 0.81645044366998 0.50000000000000 0.59892830885559 35.453 > 41 51 Cl 0.95681811909078 0.25000000000000 0.79529568764765 35.453 > 43 52 Cl 0.95681811909078 0.75000000000000 0.79529568764765 35.453 > 43 53 Cl 0.54318188090922 0.00000000000000 0.20470431235236 35.453 > 45 54 Cl 0.54318188090922 0.50000000000000 0.20470431235236 35.453 > 45 55 Cl 0.68354955633002 0.25000000000000 0.40107169114441 35.453 > 47 56 Cl 0.68354955633002 0.75000000000000 0.40107169114441 35.453 > 47 57 O 0.21070494415706 0.12095894925788 0.11476047673789 15.999 > 57 58 O 0.21070494415706 0.62095894925788 0.11476047673789 15.999 > 57 59 O 0.10095079516206 0.00000000000000 0.92011364457752 15.999 > 59 60 O 0.10095079516206 0.50000000000000 0.92011364457752 15.999 > 59 61 O 0.36681796018912 0.11784793400942 0.31516478154123 15.999 > 61 62 O 0.36681796018912 0.61784793400942 0.31516478154123 15.999 > 61 63 O 0.28929505584294 0.12904105074212 0.88523952326211 15.999 > 63 64 O 0.28929505584294 0.62904105074212 0.88523952326211 15.999 > 63 65 O 0.13318203981088 0.36784793400942 0.68483521845877 15.999 > 65 66 O 0.13318203981088 0.86784793400942 0.68483521845877 15.999 > 65 67 O 0.21070494415706 0.37904105074212 0.11476047673789 15.999 > 67 68 O 0.21070494415706 0.87904105074212 0.11476047673789 15.999 > 67 69 O 0.36681796018912 0.38215206599058 0.31516478154123 15.999 > 69 70 O 0.36681796018912 0.88215206599058 0.31516478154123 15.999 > 69 71 O 0.13318203981088 0.13215206599058 0.68483521845877 15.999 > 71 72 O 0.13318203981088 0.63215206599058 0.68483521845877 15.999 > 71 73 O 0.00000000000000 0.35881497776810 0.50000000000000 15.999 > 73 74 O 0.00000000000000 0.85881497776810 0.50000000000000 15.999 > 73 75 O 0.39904920483794 0.25000000000000 0.07988635542248 15.999 > 75 76 O 0.39904920483794 0.75000000000000 0.07988635542248 15.999 > 75 77 O 0.28929505584294 0.37095894925788 0.88523952326211 15.999 > 77 78 O 0.28929505584294 0.87095894925788 0.88523952326211 15.999 > 77 79 O 0.00000000000000 0.14118502223190 0.50000000000000 15.999 > 79 80 O 0.00000000000000 0.64118502223190 0.50000000000000 15.999 > 79 81 O 0.71070494415706 0.37095894925788 0.11476047673789 15.999 > 57 82 O 0.71070494415706 0.87095894925788 0.11476047673789 15.999 > 57 83 O 0.60095079516206 0.25000000000000 0.92011364457752 15.999 > 59 84 O 0.60095079516206 0.75000000000000 0.92011364457752 15.999 > 59 85 O 0.86681796018912 0.36784793400942 0.31516478154123 15.999 > 61 86 O 0.86681796018912 0.86784793400942 0.31516478154123 15.999 > 61 87 O 0.78929505584294 0.37904105074212 0.88523952326211 15.999 > 63 88 O 0.78929505584294 0.87904105074212 0.88523952326211 15.999 > 63 89 O 0.63318203981088 0.11784793400942 0.68483521845877 15.999 > 65 90 O 0.63318203981088 0.61784793400942 0.68483521845877 15.999 > 65 91 O 0.71070494415706 0.12904105074212 0.11476047673789 15.999 > 67 92 O 0.71070494415706 0.62904105074212 0.11476047673789 15.999 > 67 93 O 0.86681796018912 0.13215206599058 0.31516478154123 15.999 > 69 94 O 0.86681796018912 0.63215206599058 0.31516478154123 15.999 > 69 95 O 0.63318203981088 0.38215206599058 0.68483521845877 15.999 > 71 96 O 0.63318203981088 0.88215206599058 0.68483521845877 15.999 > 71 97 O 0.50000000000000 0.10881497776810 0.50000000000000 15.999 > 73 98 O 0.50000000000000 0.60881497776810 0.50000000000000 15.999 > 73 99 O 0.89904920483794 0.00000000000000 0.07988635542248 15.999 > 75 100 O 0.89904920483794 0.50000000000000 0.07988635542248 15.999 > 75 101 O 0.78929505584294 0.12095894925788 0.88523952326211 15.999 > 77 102 O 0.78929505584294 0.62095894925788 0.88523952326211 15.999 > 77 103 O 0.50000000000000 0.39118502223190 0.50000000000000 15.999 > 79 104 O 0.50000000000000 0.89118502223190 0.50000000000000 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3113967 0.0000000 0.3202659 0.0000000 5.5318141 0.0000000 0.3202662 0.0000000 5.4452456 -------------------------- Born effective charges -------------------------- 1 Te 3.9835941 -0.0000000 1.1079344 0.0000000 4.3456506 -0.0000000 1.5036171 -0.0000000 3.9751080 2 Te 3.0239679 -0.0000000 0.2585261 0.0000000 3.5252790 -0.0000000 0.3634001 -0.0000000 3.9307888 3 Te 3.0239679 -0.0000000 0.2585261 0.0000000 3.5252790 -0.0000000 0.3634001 -0.0000000 3.9307888 4 Te 3.9835941 -0.0000000 1.1079344 0.0000000 4.3456506 -0.0000000 1.5036171 -0.0000000 3.9751080 5 Pb 3.2064047 -0.0000000 0.3716178 0.0000000 3.1330703 -0.0000000 0.1197361 -0.0000000 3.7922980 6 Pb 3.3815799 -0.0000000 0.5011392 0.0000000 4.0776369 -0.0000000 0.4675406 -0.0000000 3.4817138 7 Pb 3.2064047 -0.0000000 0.3716178 0.0000000 3.1330703 -0.0000000 0.1197361 -0.0000000 3.7922980 8 Pb 3.3828083 -0.0000000 0.2238877 0.0000000 3.8883799 -0.0000000 -0.0261538 -0.0000000 3.5788112 9 Pb 3.3828083 -0.0000000 0.2238877 0.0000000 3.8883799 -0.0000000 -0.0261538 -0.0000000 3.5788112 10 Pb 3.3815799 -0.0000000 0.5011392 0.0000000 4.0776369 -0.0000000 0.4675406 -0.0000000 3.4817138 11 Cl -1.7677580 -0.0000000 -0.1077428 0.0000000 -1.8540638 -0.0000000 -0.1709619 -0.0000000 -2.0740491 12 Cl -2.2082815 -0.0000000 -0.0452009 0.0000000 -2.1659526 -0.0000000 -0.0721529 -0.0000000 -1.2303307 13 Cl -2.2082815 -0.0000000 -0.0452009 0.0000000 -2.1659526 -0.0000000 -0.0721529 -0.0000000 -1.2303307 14 Cl -1.7677580 -0.0000000 -0.1077428 0.0000000 -1.8540638 -0.0000000 -0.1709619 -0.0000000 -2.0740491 15 O -2.2192945 -0.1090383 -0.0870863 -0.5179717 -2.5799688 -0.3871309 -0.3761115 -0.5150755 -2.1174774 16 O -1.1930964 -0.0000000 -0.7966422 0.0000000 -1.6381181 -0.0000000 -0.1451395 -0.0000000 -4.0172974 17 O -2.2525833 0.1296057 -0.4201358 -0.1449257 -2.9044256 0.7504127 -0.0309312 0.5542772 -2.5549735 18 O -2.2192945 -0.1090383 -0.0870863 -0.5179717 -2.5799688 -0.3871309 -0.3761115 -0.5150755 -2.1174774 19 O -2.2525833 -0.1296057 -0.4201358 0.1449257 -2.9044256 -0.7504127 -0.0309312 -0.5542772 -2.5549735 20 O -2.2192945 0.1090383 -0.0870863 0.5179717 -2.5799688 0.3871309 -0.3761115 0.5150755 -2.1174774 21 O -2.2525833 -0.1296057 -0.4201358 0.1449257 -2.9044256 -0.7504127 -0.0309312 -0.5542772 -2.5549735 22 O -2.2525833 0.1296057 -0.4201358 -0.1449257 -2.9044256 0.7504127 -0.0309312 0.5542772 -2.5549735 23 O -2.8654636 -0.0000000 -0.4990750 0.0000000 -2.3430937 -0.0000000 -1.2258004 -0.0000000 -2.0921408 24 O -1.1930964 -0.0000000 -0.7966422 0.0000000 -1.6381181 -0.0000000 -0.1451395 -0.0000000 -4.0172974 25 O -2.2192945 0.1090383 -0.0870863 0.5179717 -2.5799688 0.3871309 -0.3761115 0.5150755 -2.1174774 26 O -2.8654636 -0.0000000 -0.4990750 0.0000000 -2.3430937 -0.0000000 -1.2258004 -0.0000000 -2.0921408 ---------------------------------------------------------------------------- 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 23, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 43, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 59, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 73, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:37:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:37:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.165371035016129 -2.801605135000000 0.000000000000000 b 8.165371035016129 2.801605135000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): 1 Te 0.60427246756558 0.60427246756557 0.54953567580744 127.600 2 Te 0.12714879250226 0.12714879250226 0.09827366477918 127.600 3 Te 0.87285120749774 0.87285120749774 0.90172633522082 127.600 4 Te 0.39572753243442 0.39572753243442 0.45046432419256 127.600 5 Pb 0.33903729072140 0.33903729072140 0.10432648995046 207.200 6 Pb 0.26056090730307 0.26056090730307 0.70029630708898 207.200 7 Pb 0.66096270927860 0.66096270927860 0.89567351004954 207.200 8 Pb 0.02011433083421 0.02011433083421 0.69999669986997 207.200 9 Pb 0.97988566916579 0.97988566916579 0.30000330013003 207.200 10 Pb 0.73943909269693 0.73943909269693 0.29970369291102 207.200 11 Cl 0.81645044366998 0.81645044366998 0.59892830885559 35.453 12 Cl 0.45681811909078 0.45681811909078 0.79529568764765 35.453 13 Cl 0.54318188090922 0.54318188090922 0.20470431235236 35.453 14 Cl 0.18354955633002 0.18354955633002 0.40107169114441 35.453 15 O 0.96878704564130 0.45262284267282 0.11476047673789 15.999 16 O 0.10095079516206 0.10095079516206 0.92011364457752 15.999 17 O 0.13112209217028 0.60251382820795 0.31516478154123 15.999 18 O 0.03121295435870 0.54737715732718 0.88523952326211 15.999 19 O 0.39748617179205 0.86887790782972 0.68483521845877 15.999 20 O 0.45262284267282 0.96878704564130 0.11476047673789 15.999 21 O 0.60251382820795 0.13112209217028 0.31516478154123 15.999 22 O 0.86887790782972 0.39748617179205 0.68483521845877 15.999 23 O 0.28237004446381 0.71762995553619 0.50000000000000 15.999 24 O 0.89904920483794 0.89904920483794 0.07988635542248 15.999 25 O 0.54737715732718 0.03121295435870 0.88523952326211 15.999 26 O 0.71762995553619 0.28237004446381 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.330742070032258 0.000000000000000 0.000000000000000 b 0.000000000000000 11.206420540000000 0.000000000000000 c -2.372658270756911 0.000000000000000 10.539641466064165 Atomic positions (fractional): 1 Te 0.10427246756557 0.25000000000000 0.54953567580744 127.600 > 1 2 Te 0.10427246756557 0.75000000000000 0.54953567580744 127.600 > 1 3 Te 0.12714879250226 0.00000000000000 0.09827366477918 127.600 > 3 4 Te 0.12714879250226 0.50000000000000 0.09827366477918 127.600 > 3 5 Te 0.37285120749774 0.25000000000000 0.90172633522082 127.600 > 5 6 Te 0.37285120749774 0.75000000000000 0.90172633522082 127.600 > 5 7 Te 0.39572753243442 0.00000000000000 0.45046432419256 127.600 > 7 8 Te 0.39572753243442 0.50000000000000 0.45046432419256 127.600 > 7 9 Te 0.60427246756557 0.00000000000000 0.54953567580744 127.600 > 1 10 Te 0.60427246756557 0.50000000000000 0.54953567580744 127.600 > 1 11 Te 0.62714879250226 0.25000000000000 0.09827366477918 127.600 > 3 12 Te 0.62714879250226 0.75000000000000 0.09827366477918 127.600 > 3 13 Te 0.87285120749774 0.00000000000000 0.90172633522082 127.600 > 5 14 Te 0.87285120749774 0.50000000000000 0.90172633522082 127.600 > 5 15 Te 0.89572753243443 0.25000000000000 0.45046432419256 127.600 > 7 16 Te 0.89572753243443 0.75000000000000 0.45046432419256 127.600 > 7 17 Pb 0.33903729072140 0.00000000000000 0.10432648995046 207.200 > 17 18 Pb 0.33903729072140 0.50000000000000 0.10432648995046 207.200 > 17 19 Pb 0.26056090730307 0.00000000000000 0.70029630708898 207.200 > 19 20 Pb 0.26056090730307 0.50000000000000 0.70029630708898 207.200 > 19 21 Pb 0.16096270927860 0.25000000000000 0.89567351004954 207.200 > 21 22 Pb 0.16096270927860 0.75000000000000 0.89567351004954 207.200 > 21 23 Pb 0.02011433083421 0.00000000000000 0.69999669986997 207.200 > 23 24 Pb 0.02011433083421 0.50000000000000 0.69999669986997 207.200 > 23 25 Pb 0.47988566916579 0.25000000000000 0.30000330013003 207.200 > 25 26 Pb 0.47988566916579 0.75000000000000 0.30000330013003 207.200 > 25 27 Pb 0.23943909269693 0.25000000000000 0.29970369291102 207.200 > 27 28 Pb 0.23943909269693 0.75000000000000 0.29970369291102 207.200 > 27 29 Pb 0.83903729072140 0.25000000000000 0.10432648995046 207.200 > 17 30 Pb 0.83903729072140 0.75000000000000 0.10432648995046 207.200 > 17 31 Pb 0.76056090730307 0.25000000000000 0.70029630708898 207.200 > 19 32 Pb 0.76056090730307 0.75000000000000 0.70029630708898 207.200 > 19 33 Pb 0.66096270927860 0.00000000000000 0.89567351004954 207.200 > 21 34 Pb 0.66096270927860 0.50000000000000 0.89567351004954 207.200 > 21 35 Pb 0.52011433083421 0.25000000000000 0.69999669986997 207.200 > 23 36 Pb 0.52011433083421 0.75000000000000 0.69999669986997 207.200 > 23 37 Pb 0.97988566916579 0.00000000000000 0.30000330013003 207.200 > 25 38 Pb 0.97988566916579 0.50000000000000 0.30000330013003 207.200 > 25 39 Pb 0.73943909269693 0.00000000000000 0.29970369291102 207.200 > 27 40 Pb 0.73943909269693 0.50000000000000 0.29970369291102 207.200 > 27 41 Cl 0.31645044366998 0.25000000000000 0.59892830885559 35.453 > 41 42 Cl 0.31645044366998 0.75000000000000 0.59892830885559 35.453 > 41 43 Cl 0.45681811909078 0.00000000000000 0.79529568764765 35.453 > 43 44 Cl 0.45681811909078 0.50000000000000 0.79529568764765 35.453 > 43 45 Cl 0.04318188090922 0.25000000000000 0.20470431235236 35.453 > 45 46 Cl 0.04318188090922 0.75000000000000 0.20470431235236 35.453 > 45 47 Cl 0.18354955633002 0.00000000000000 0.40107169114441 35.453 > 47 48 Cl 0.18354955633002 0.50000000000000 0.40107169114441 35.453 > 47 49 Cl 0.81645044366998 0.00000000000000 0.59892830885559 35.453 > 41 50 Cl 0.81645044366998 0.50000000000000 0.59892830885559 35.453 > 41 51 Cl 0.95681811909078 0.25000000000000 0.79529568764765 35.453 > 43 52 Cl 0.95681811909078 0.75000000000000 0.79529568764765 35.453 > 43 53 Cl 0.54318188090922 0.00000000000000 0.20470431235236 35.453 > 45 54 Cl 0.54318188090922 0.50000000000000 0.20470431235236 35.453 > 45 55 Cl 0.68354955633002 0.25000000000000 0.40107169114441 35.453 > 47 56 Cl 0.68354955633002 0.75000000000000 0.40107169114441 35.453 > 47 57 O 0.21070494415706 0.12095894925788 0.11476047673789 15.999 > 57 58 O 0.21070494415706 0.62095894925788 0.11476047673789 15.999 > 57 59 O 0.10095079516206 0.00000000000000 0.92011364457752 15.999 > 59 60 O 0.10095079516206 0.50000000000000 0.92011364457752 15.999 > 59 61 O 0.36681796018912 0.11784793400942 0.31516478154123 15.999 > 61 62 O 0.36681796018912 0.61784793400942 0.31516478154123 15.999 > 61 63 O 0.28929505584294 0.12904105074212 0.88523952326211 15.999 > 63 64 O 0.28929505584294 0.62904105074212 0.88523952326211 15.999 > 63 65 O 0.13318203981088 0.36784793400942 0.68483521845877 15.999 > 65 66 O 0.13318203981088 0.86784793400942 0.68483521845877 15.999 > 65 67 O 0.21070494415706 0.37904105074212 0.11476047673789 15.999 > 67 68 O 0.21070494415706 0.87904105074212 0.11476047673789 15.999 > 67 69 O 0.36681796018912 0.38215206599058 0.31516478154123 15.999 > 69 70 O 0.36681796018912 0.88215206599058 0.31516478154123 15.999 > 69 71 O 0.13318203981088 0.13215206599058 0.68483521845877 15.999 > 71 72 O 0.13318203981088 0.63215206599058 0.68483521845877 15.999 > 71 73 O 0.00000000000000 0.35881497776810 0.50000000000000 15.999 > 73 74 O 0.00000000000000 0.85881497776810 0.50000000000000 15.999 > 73 75 O 0.39904920483794 0.25000000000000 0.07988635542248 15.999 > 75 76 O 0.39904920483794 0.75000000000000 0.07988635542248 15.999 > 75 77 O 0.28929505584294 0.37095894925788 0.88523952326211 15.999 > 77 78 O 0.28929505584294 0.87095894925788 0.88523952326211 15.999 > 77 79 O 0.00000000000000 0.14118502223190 0.50000000000000 15.999 > 79 80 O 0.00000000000000 0.64118502223190 0.50000000000000 15.999 > 79 81 O 0.71070494415706 0.37095894925788 0.11476047673789 15.999 > 57 82 O 0.71070494415706 0.87095894925788 0.11476047673789 15.999 > 57 83 O 0.60095079516206 0.25000000000000 0.92011364457752 15.999 > 59 84 O 0.60095079516206 0.75000000000000 0.92011364457752 15.999 > 59 85 O 0.86681796018912 0.36784793400942 0.31516478154123 15.999 > 61 86 O 0.86681796018912 0.86784793400942 0.31516478154123 15.999 > 61 87 O 0.78929505584294 0.37904105074212 0.88523952326211 15.999 > 63 88 O 0.78929505584294 0.87904105074212 0.88523952326211 15.999 > 63 89 O 0.63318203981088 0.11784793400942 0.68483521845877 15.999 > 65 90 O 0.63318203981088 0.61784793400942 0.68483521845877 15.999 > 65 91 O 0.71070494415706 0.12904105074212 0.11476047673789 15.999 > 67 92 O 0.71070494415706 0.62904105074212 0.11476047673789 15.999 > 67 93 O 0.86681796018912 0.13215206599058 0.31516478154123 15.999 > 69 94 O 0.86681796018912 0.63215206599058 0.31516478154123 15.999 > 69 95 O 0.63318203981088 0.38215206599058 0.68483521845877 15.999 > 71 96 O 0.63318203981088 0.88215206599058 0.68483521845877 15.999 > 71 97 O 0.50000000000000 0.10881497776810 0.50000000000000 15.999 > 73 98 O 0.50000000000000 0.60881497776810 0.50000000000000 15.999 > 73 99 O 0.89904920483794 0.00000000000000 0.07988635542248 15.999 > 75 100 O 0.89904920483794 0.50000000000000 0.07988635542248 15.999 > 75 101 O 0.78929505584294 0.12095894925788 0.88523952326211 15.999 > 77 102 O 0.78929505584294 0.62095894925788 0.88523952326211 15.999 > 77 103 O 0.50000000000000 0.39118502223190 0.50000000000000 15.999 > 79 104 O 0.50000000000000 0.89118502223190 0.50000000000000 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3113967 0.0000000 0.3202659 0.0000000 5.5318141 0.0000000 0.3202662 0.0000000 5.4452456 -------------------------- Born effective charges -------------------------- 1 Te 3.9835941 -0.0000000 1.1079344 0.0000000 4.3456506 -0.0000000 1.5036171 -0.0000000 3.9751080 2 Te 3.0239679 -0.0000000 0.2585261 0.0000000 3.5252790 -0.0000000 0.3634001 -0.0000000 3.9307888 3 Te 3.0239679 -0.0000000 0.2585261 0.0000000 3.5252790 -0.0000000 0.3634001 -0.0000000 3.9307888 4 Te 3.9835941 -0.0000000 1.1079344 0.0000000 4.3456506 -0.0000000 1.5036171 -0.0000000 3.9751080 5 Pb 3.2064047 -0.0000000 0.3716178 0.0000000 3.1330703 -0.0000000 0.1197361 -0.0000000 3.7922980 6 Pb 3.3815799 -0.0000000 0.5011392 0.0000000 4.0776369 -0.0000000 0.4675406 -0.0000000 3.4817138 7 Pb 3.2064047 -0.0000000 0.3716178 0.0000000 3.1330703 -0.0000000 0.1197361 -0.0000000 3.7922980 8 Pb 3.3828083 -0.0000000 0.2238877 0.0000000 3.8883799 -0.0000000 -0.0261538 -0.0000000 3.5788112 9 Pb 3.3828083 -0.0000000 0.2238877 0.0000000 3.8883799 -0.0000000 -0.0261538 -0.0000000 3.5788112 10 Pb 3.3815799 -0.0000000 0.5011392 0.0000000 4.0776369 -0.0000000 0.4675406 -0.0000000 3.4817138 11 Cl -1.7677580 -0.0000000 -0.1077428 0.0000000 -1.8540638 -0.0000000 -0.1709619 -0.0000000 -2.0740491 12 Cl -2.2082815 -0.0000000 -0.0452009 0.0000000 -2.1659526 -0.0000000 -0.0721529 -0.0000000 -1.2303307 13 Cl -2.2082815 -0.0000000 -0.0452009 0.0000000 -2.1659526 -0.0000000 -0.0721529 -0.0000000 -1.2303307 14 Cl -1.7677580 -0.0000000 -0.1077428 0.0000000 -1.8540638 -0.0000000 -0.1709619 -0.0000000 -2.0740491 15 O -2.2192945 -0.1090383 -0.0870863 -0.5179717 -2.5799688 -0.3871309 -0.3761115 -0.5150755 -2.1174774 16 O -1.1930964 -0.0000000 -0.7966422 0.0000000 -1.6381181 -0.0000000 -0.1451395 -0.0000000 -4.0172974 17 O -2.2525833 0.1296057 -0.4201358 -0.1449257 -2.9044256 0.7504127 -0.0309312 0.5542772 -2.5549735 18 O -2.2192945 -0.1090383 -0.0870863 -0.5179717 -2.5799688 -0.3871309 -0.3761115 -0.5150755 -2.1174774 19 O -2.2525833 -0.1296057 -0.4201358 0.1449257 -2.9044256 -0.7504127 -0.0309312 -0.5542772 -2.5549735 20 O -2.2192945 0.1090383 -0.0870863 0.5179717 -2.5799688 0.3871309 -0.3761115 0.5150755 -2.1174774 21 O -2.2525833 -0.1296057 -0.4201358 0.1449257 -2.9044256 -0.7504127 -0.0309312 -0.5542772 -2.5549735 22 O -2.2525833 0.1296057 -0.4201358 -0.1449257 -2.9044256 0.7504127 -0.0309312 0.5542772 -2.5549735 23 O -2.8654636 -0.0000000 -0.4990750 0.0000000 -2.3430937 -0.0000000 -1.2258004 -0.0000000 -2.0921408 24 O -1.1930964 -0.0000000 -0.7966422 0.0000000 -1.6381181 -0.0000000 -0.1451395 -0.0000000 -4.0172974 25 O -2.2192945 0.1090383 -0.0870863 0.5179717 -2.5799688 0.3871309 -0.3761115 0.5150755 -2.1174774 26 O -2.8654636 -0.0000000 -0.4990750 0.0000000 -2.3430937 -0.0000000 -1.2258004 -0.0000000 -2.0921408 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.798 ( 0.000 0.000 0.000) 0.000 0.878 ( 0.000 0.000 0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 14.311 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 17.013 ( 0.000 0.000 0.000) 0.000 18.260 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 18.887 ( 0.000 0.000 0.000) 0.000 19.117 ( 0.000 0.000 0.000) 0.000 19.893 ( 0.000 0.000 0.000) 0.000 20.199 ( 0.000 0.000 0.000) 0.000 21.641 ( 0.000 0.000 0.000) 0.000 21.958 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 11.945 -10.755 1.856) 16.181 0.331 ( 6.975 -14.045 11.069) 19.195 0.709 ( 3.183 -31.330 0.996) 31.507 0.874 ( 0.219 -6.609 1.197) 6.720 1.252 ( -0.103 -1.318 -2.624) 2.939 1.352 ( -9.280 -7.517 -5.953) 13.344 1.434 ( 0.655 -4.561 2.619) 5.300 1.563 ( -2.711 -4.567 -3.022) 6.111 1.582 ( -1.263 -3.708 3.896) 5.525 1.689 ( -0.110 0.201 -1.280) 1.301 1.745 ( 1.103 1.595 1.035) 2.198 1.799 ( -0.522 1.514 -1.104) 1.945 1.846 ( -0.446 -3.287 -1.106) 3.496 1.886 ( 0.378 -0.967 -0.604) 1.201 1.942 ( 0.208 1.721 0.009) 1.734 2.179 ( -2.652 6.268 0.682) 6.840 2.229 ( 1.674 2.821 -0.589) 3.332 2.333 ( -0.120 0.978 -0.176) 1.001 2.420 ( 0.190 0.402 0.510) 0.677 2.481 ( 2.364 0.726 0.380) 2.502 2.538 ( -3.339 -10.931 -0.850) 11.461 2.613 ( 0.898 2.842 -0.245) 2.991 2.657 ( -2.333 -9.993 -2.975) 10.684 2.680 ( -0.051 -6.994 4.276) 8.198 2.798 ( -2.517 -0.688 -0.607) 2.679 2.896 ( 0.093 -0.688 -1.627) 1.769 2.906 ( -2.650 -1.742 1.715) 3.606 3.024 ( 3.986 3.219 1.387) 5.308 3.031 ( -0.202 2.058 -0.817) 2.223 3.121 ( -3.098 2.428 -1.045) 4.072 3.211 ( 4.151 1.843 -1.394) 4.751 3.398 ( 1.092 2.555 -0.464) 2.817 3.421 ( -1.094 -2.270 -4.072) 4.789 3.567 ( 7.287 1.157 -2.463) 7.778 3.695 ( 1.672 1.071 4.643) 5.050 3.824 ( -0.972 0.185 -0.480) 1.100 3.905 ( 2.046 0.099 3.371) 3.945 4.071 ( -0.454 0.268 -0.044) 0.529 4.096 ( 1.809 -5.416 0.962) 5.791 4.166 ( 0.259 -1.498 1.089) 1.870 4.362 ( -2.720 4.099 -5.054) 7.053 4.440 ( 0.895 2.513 5.067) 5.726 4.637 ( 0.153 -2.722 -0.780) 2.835 5.260 ( -0.089 0.147 0.554) 0.580 5.539 ( -2.416 3.719 -0.981) 4.542 5.588 ( 1.154 -6.098 1.380) 6.358 6.184 ( -4.943 -13.142 -8.669) 16.502 6.292 ( 1.644 -14.578 2.656) 14.909 6.478 ( -7.574 -3.441 -0.408) 8.329 6.596 ( -16.027 -14.594 -2.646) 21.837 6.898 ( 0.087 1.316 0.014) 1.319 7.424 ( 2.050 -8.959 -2.274) 9.468 8.511 ( 0.228 -9.772 0.406) 9.783 8.861 ( 0.185 -2.014 0.773) 2.165 9.205 ( 0.635 -0.437 -0.992) 1.256 9.269 ( 5.347 3.234 12.700) 14.154 9.329 ( -0.004 0.214 5.750) 5.754 9.457 ( 3.592 -1.576 9.308) 10.101 10.470 ( -3.303 2.214 -2.218) 4.553 10.967 ( -0.574 2.273 2.402) 3.356 11.474 ( -3.386 7.837 -9.433) 12.723 11.730 ( 20.924 7.928 3.641) 22.669 12.120 ( -0.728 1.068 -2.042) 2.417 12.509 ( 0.486 4.666 0.302) 4.701 12.622 ( 6.502 -6.048 -5.186) 10.283 14.317 ( -0.057 -0.427 -0.017) 0.431 14.853 ( 4.838 10.750 8.987) 14.824 15.955 ( -1.154 -11.959 -1.344) 12.090 16.289 ( -4.646 -8.812 2.494) 10.269 16.997 ( 0.303 1.737 0.056) 1.764 18.459 ( 0.028 -8.294 0.084) 8.294 18.859 ( 0.188 2.733 -0.823) 2.861 19.080 ( -3.211 -1.768 -21.228) 21.542 19.289 ( -31.216 -10.053 14.333) 35.790 19.890 ( 0.000 0.379 -0.115) 0.396 20.224 ( 15.080 12.145 14.171) 23.994 21.633 ( 0.190 0.841 -0.052) 0.863 21.928 ( -0.617 2.752 1.215) 3.071 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 9.515 -10.956 2.193) 14.676 0.677 ( 5.938 -14.545 8.670) 17.944 0.988 ( -0.677 -6.027 0.498) 6.086 1.192 ( -2.107 -11.667 -5.012) 12.871 1.349 ( 0.791 -8.710 -0.381) 8.754 1.478 ( -0.012 -6.192 3.767) 7.248 1.516 ( -1.432 -4.794 -0.244) 5.009 1.594 ( -2.237 1.697 -0.094) 2.809 1.655 ( -1.327 -7.298 -4.285) 8.567 1.690 ( 1.610 0.880 1.660) 2.474 1.764 ( 0.440 0.486 -1.573) 1.704 1.779 ( 1.372 -5.725 -0.042) 5.887 1.884 ( -0.660 3.152 -0.654) 3.286 1.907 ( 1.021 -1.338 0.218) 1.697 1.950 ( -0.146 -3.545 -1.601) 3.893 2.050 ( -2.968 3.614 -0.134) 4.678 2.197 ( 2.477 1.157 0.161) 2.739 2.315 ( -1.312 0.474 -1.086) 1.768 2.419 ( 0.479 3.636 0.843) 3.763 2.436 ( 0.051 -1.452 1.439) 2.044 2.552 ( 2.420 3.211 0.117) 4.022 2.677 ( -5.296 -0.048 1.175) 5.425 2.746 ( -0.993 -0.723 -1.442) 1.894 2.792 ( -1.356 1.623 -0.108) 2.117 2.850 ( -2.592 -7.793 -0.298) 8.218 2.871 ( -5.202 -3.249 -2.203) 6.517 2.965 ( 1.840 -0.581 2.884) 3.470 3.018 ( 2.919 -5.168 0.207) 5.939 3.047 ( 0.462 -1.660 -2.602) 3.121 3.124 ( 4.432 -3.009 -0.163) 5.360 3.203 ( 3.714 1.998 1.129) 4.366 3.362 ( 5.637 1.410 1.210) 5.935 3.449 ( -0.984 -1.815 -4.254) 4.729 3.583 ( 2.521 0.399 -1.267) 2.850 3.690 ( 2.011 1.468 5.853) 6.360 3.817 ( 0.444 0.042 0.993) 1.089 3.896 ( 0.040 1.556 0.021) 1.556 4.053 ( -0.391 1.112 -0.974) 1.529 4.183 ( -0.620 1.151 -2.417) 2.748 4.236 ( -1.178 -3.146 0.820) 3.458 4.288 ( -2.412 -4.270 0.086) 4.905 4.436 ( 1.946 -0.523 3.848) 4.344 4.642 ( -0.009 1.740 -1.061) 2.038 5.271 ( -0.027 -0.879 0.187) 0.899 5.469 ( -2.204 1.549 -0.590) 2.758 5.732 ( 1.303 -6.733 1.916) 7.121 6.427 ( -2.285 -11.376 -2.792) 11.935 6.506 ( -2.037 -4.500 -1.523) 5.169 6.659 ( 1.903 -19.200 -0.114) 19.295 6.851 ( -9.431 -18.712 -1.989) 21.048 6.914 ( -1.825 -5.080 0.186) 5.401 7.624 ( -0.989 -10.284 -5.944) 11.919 8.782 ( 0.566 -16.138 1.085) 16.184 8.903 ( 2.601 -1.167 4.558) 5.376 9.253 ( 3.800 -0.750 4.226) 5.733 9.269 ( 0.953 -1.284 6.826) 7.010 9.372 ( -0.037 -3.921 -1.018) 4.051 9.519 ( 1.747 -2.330 4.499) 5.360 10.378 ( -4.891 3.570 -2.875) 6.703 10.892 ( -3.640 4.064 0.393) 5.470 11.272 ( 2.107 10.437 -8.522) 13.638 11.648 ( 16.323 13.245 3.124) 21.252 12.074 ( 0.703 3.095 0.724) 3.255 12.386 ( 0.655 7.749 0.324) 7.783 12.836 ( -1.022 -12.970 -1.710) 13.122 14.312 ( -0.711 1.269 0.038) 1.455 14.685 ( 0.475 7.627 3.221) 8.292 16.226 ( -1.031 -15.256 -1.245) 15.341 16.477 ( -2.740 -11.544 1.212) 11.927 16.953 ( 0.490 2.747 0.145) 2.794 18.687 ( 0.381 -13.923 0.435) 13.935 18.788 ( 0.387 4.194 -1.459) 4.457 19.053 ( 0.713 1.671 -4.519) 4.870 19.305 ( -16.613 -6.960 1.321) 18.060 19.864 ( -0.803 2.381 -0.131) 2.516 20.070 ( 7.117 11.924 5.406) 14.901 21.613 ( 0.302 1.211 -0.066) 1.250 21.854 ( -0.859 4.062 1.066) 4.287 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 6.526 -10.120 2.222) 12.245 0.997 ( 4.550 -12.397 5.390) 14.263 1.100 ( 1.027 -5.779 1.039) 5.961 1.297 ( -1.672 -3.105 -5.624) 6.638 1.456 ( 1.410 -0.217 2.454) 2.839 1.533 ( 0.372 2.524 2.219) 3.382 1.540 ( -3.400 0.877 -1.903) 3.994 1.544 ( -3.893 -4.525 -3.092) 6.723 1.687 ( -1.011 1.229 -2.279) 2.780 1.728 ( 2.288 2.087 2.298) 3.856 1.760 ( 2.065 -0.933 -0.776) 2.395 1.823 ( -2.548 1.435 -0.826) 3.038 1.923 ( 1.319 -0.173 -4.926) 5.102 1.942 ( 0.037 -1.359 0.025) 1.360 2.025 ( -3.327 -1.682 1.289) 3.944 2.063 ( 1.988 -9.733 1.462) 10.041 2.212 ( 2.800 -1.680 1.215) 3.484 2.292 ( -2.413 -0.483 0.771) 2.579 2.400 ( 2.363 -0.377 1.652) 2.907 2.478 ( -0.101 -1.630 -0.222) 1.648 2.497 ( 1.659 2.556 -1.856) 3.569 2.593 ( -0.756 5.911 -1.477) 6.140 2.654 ( -2.006 2.098 3.373) 4.450 2.784 ( -2.328 -0.173 -0.946) 2.519 2.901 ( 1.392 -2.549 -0.964) 3.060 2.953 ( 0.858 2.092 -0.306) 2.282 2.971 ( -3.553 -3.047 2.055) 5.112 3.107 ( 1.901 -2.061 -2.133) 3.523 3.132 ( -0.348 -1.755 -2.247) 2.873 3.170 ( -0.579 -3.360 3.454) 4.854 3.248 ( 3.823 -4.747 -1.198) 6.211 3.413 ( 0.967 0.908 -1.415) 1.939 3.490 ( 6.286 -2.977 -1.191) 7.056 3.599 ( -1.593 -2.123 -2.223) 3.462 3.682 ( 2.255 1.647 4.852) 5.598 3.834 ( 1.330 -0.662 1.735) 2.283 3.874 ( 2.357 0.827 1.160) 2.754 4.014 ( -0.867 2.092 -0.946) 2.455 4.088 ( -2.746 3.499 -2.670) 5.188 4.293 ( -3.257 -3.254 0.484) 4.629 4.379 ( 0.452 -2.489 2.940) 3.878 4.502 ( 3.504 -3.179 1.918) 5.105 4.601 ( -1.995 0.373 -2.178) 2.977 5.287 ( 0.064 -0.672 -0.383) 0.776 5.424 ( -2.072 1.894 -0.099) 2.809 5.859 ( 0.823 -4.599 1.066) 4.792 6.487 ( -0.149 -0.333 0.754) 0.837 6.685 ( -1.835 -9.990 -3.091) 10.617 6.960 ( 2.777 -6.409 4.606) 8.367 7.034 ( -0.504 -11.498 -0.077) 11.510 7.254 ( -6.282 -23.388 -4.240) 24.586 7.766 ( -3.317 -6.075 -8.367) 10.859 8.971 ( 4.777 -2.606 7.775) 9.491 9.099 ( 0.592 -12.498 0.933) 12.547 9.276 ( 2.649 0.451 2.749) 3.844 9.340 ( -1.634 -4.338 1.932) 5.022 9.458 ( 0.701 -4.342 -0.157) 4.401 9.639 ( 3.006 -8.004 5.187) 10.000 10.257 ( -5.469 4.679 -4.303) 8.385 10.775 ( -4.201 4.025 -2.382) 6.287 11.086 ( 5.260 8.836 -4.647) 11.285 11.450 ( 8.930 15.407 1.306) 17.856 12.023 ( 0.822 2.434 2.008) 3.260 12.232 ( -0.238 7.393 -0.225) 7.400 13.071 ( -1.146 -10.731 -0.427) 10.801 14.250 ( -1.648 3.600 0.236) 3.967 14.593 ( 0.289 2.417 1.203) 2.715 16.506 ( 0.022 -12.602 -0.280) 12.605 16.680 ( -2.442 -9.807 0.072) 10.107 16.903 ( 0.492 2.473 0.238) 2.533 18.704 ( 0.472 4.036 -1.343) 4.280 18.969 ( 1.445 -6.971 2.311) 7.485 19.033 ( 0.840 -5.797 -1.308) 6.002 19.353 ( -10.472 -7.383 -2.657) 13.086 19.766 ( -1.655 7.030 -0.085) 7.223 19.892 ( 5.011 10.211 2.555) 11.658 21.593 ( 0.318 0.944 -0.064) 0.998 21.772 ( -0.837 3.532 0.846) 3.727 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 3.154 -8.104 1.525) 8.829 1.209 ( 2.602 -5.340 0.636) 5.975 1.239 ( -1.419 4.735 -1.425) 5.145 1.266 ( 2.496 -7.071 2.003) 7.762 1.443 ( -2.744 5.296 -2.283) 6.387 1.479 ( -0.107 -0.760 -1.649) 1.818 1.512 ( -1.407 -0.317 3.590) 3.868 1.581 ( 1.115 2.396 -1.587) 3.083 1.628 ( -0.984 -2.259 -1.251) 2.764 1.706 ( -0.560 4.270 1.241) 4.481 1.781 ( 0.633 -2.180 1.850) 2.928 1.815 ( -0.497 -0.658 -2.049) 2.209 1.908 ( 0.920 0.793 -2.839) 3.088 1.970 ( 0.531 -1.065 0.941) 1.517 2.013 ( -2.789 0.748 0.506) 2.931 2.104 ( 0.335 0.883 -0.467) 1.053 2.240 ( -0.835 0.985 -0.137) 1.298 2.392 ( 2.105 -0.991 1.460) 2.747 2.438 ( -1.532 -5.426 -0.132) 5.639 2.487 ( -1.455 -1.395 0.265) 2.033 2.491 ( 4.763 1.037 -2.487) 5.472 2.518 ( -0.557 0.912 1.230) 1.629 2.648 ( -0.675 -0.252 1.878) 2.011 2.756 ( -0.294 1.335 -0.632) 1.506 2.912 ( -0.535 0.916 -0.187) 1.077 2.963 ( 1.840 -1.639 0.728) 2.570 2.980 ( -1.008 0.023 0.899) 1.351 3.074 ( -0.702 2.076 -1.479) 2.644 3.188 ( -0.088 -2.467 -0.992) 2.661 3.235 ( -0.906 -2.374 1.812) 3.121 3.337 ( 2.295 2.437 -0.110) 3.350 3.417 ( 2.362 -5.342 -1.264) 5.976 3.554 ( -0.850 1.917 -1.608) 2.642 3.585 ( -1.187 -0.193 -0.108) 1.208 3.710 ( 2.380 -2.256 -0.350) 3.298 3.828 ( -0.079 2.481 1.779) 3.054 3.894 ( 0.990 -0.864 0.048) 1.315 3.996 ( 0.647 -0.543 1.918) 2.096 4.023 ( -1.040 1.544 -1.612) 2.462 4.317 ( -1.868 -1.065 0.287) 2.170 4.406 ( 1.288 0.211 1.246) 1.804 4.555 ( 0.885 -0.412 0.473) 1.085 4.619 ( -1.037 -2.274 -1.062) 2.715 5.302 ( 0.541 -0.821 -0.262) 1.017 5.367 ( -1.430 2.061 0.030) 2.508 5.922 ( 0.189 -1.428 0.198) 1.454 6.488 ( -0.053 0.048 0.240) 0.251 6.812 ( -0.518 -3.648 -1.145) 3.859 7.062 ( 1.229 -2.254 2.773) 3.779 7.203 ( -0.536 -4.688 -0.485) 4.743 7.611 ( -0.676 -13.817 0.552) 13.845 7.779 ( -2.804 1.932 -6.119) 7.003 9.078 ( 3.672 -2.997 5.935) 7.596 9.214 ( -1.764 -1.234 -2.996) 3.689 9.285 ( 1.111 0.268 0.428) 1.221 9.395 ( -0.136 -0.967 2.400) 2.591 9.589 ( -0.183 -6.772 -0.082) 6.775 9.825 ( 3.819 -4.818 4.793) 7.796 10.117 ( -4.726 3.668 -5.076) 7.846 10.698 ( -1.676 1.195 -1.355) 2.464 11.024 ( 4.230 -0.639 0.197) 4.283 11.195 ( 1.251 12.268 -1.066) 12.377 12.002 ( 0.641 0.492 1.372) 1.593 12.113 ( -0.536 3.508 -0.467) 3.579 13.216 ( -0.399 -4.023 -0.063) 4.043 14.181 ( -0.869 1.798 0.142) 2.002 14.573 ( 0.203 0.360 0.303) 0.513 16.690 ( 0.405 -4.945 0.143) 4.964 16.807 ( -1.281 -3.838 -0.277) 4.055 16.871 ( 0.236 0.890 0.179) 0.938 18.644 ( 0.232 1.768 -0.526) 1.859 18.957 ( 0.613 1.542 0.710) 1.805 19.312 ( 0.824 -14.076 0.443) 14.107 19.435 ( -4.146 -5.245 -1.961) 6.967 19.574 ( -1.318 10.761 -0.422) 10.850 19.752 ( 2.486 6.119 1.366) 6.745 21.582 ( 0.158 0.318 -0.038) 0.357 21.717 ( -0.375 1.419 0.344) 1.507 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.173 ( 11.380 0.000 4.035) 12.074 0.270 ( 16.995 0.000 11.711) 20.639 0.446 ( 27.709 0.000 18.740) 33.451 0.790 ( -1.024 -0.000 -0.216) 1.047 0.871 ( -0.720 -0.000 -0.263) 0.767 1.253 ( 0.091 0.000 -2.888) 2.889 1.332 ( -2.021 -0.000 -5.748) 6.093 1.519 ( -4.814 -0.000 2.930) 5.636 1.519 ( 1.462 0.000 4.629) 4.854 1.692 ( -1.274 -0.000 -2.151) 2.500 1.729 ( 0.862 0.000 -0.641) 1.074 1.824 ( 0.876 0.000 -4.091) 4.184 1.843 ( -0.631 -0.000 1.257) 1.407 1.884 ( 0.612 0.000 0.961) 1.140 1.965 ( 0.827 0.000 0.113) 0.835 2.239 ( -2.938 -0.000 1.505) 3.301 2.301 ( -0.026 -0.000 0.435) 0.436 2.332 ( -1.766 -0.000 -1.587) 2.374 2.389 ( -1.931 -0.000 -2.065) 2.827 2.391 ( -0.114 -0.000 0.707) 0.716 2.451 ( -1.299 -0.000 -0.761) 1.505 2.452 ( 0.088 0.000 -0.089) 0.126 2.635 ( -2.206 -0.000 -2.479) 3.318 2.710 ( -3.950 -0.000 7.775) 8.721 2.737 ( 2.900 0.000 -0.104) 2.902 2.841 ( -5.614 -0.000 -0.609) 5.647 2.898 ( 0.267 0.000 1.165) 1.195 3.031 ( -3.776 -0.000 2.072) 4.307 3.095 ( 3.882 0.000 1.379) 4.119 3.110 ( 3.069 0.000 -10.756) 11.185 3.237 ( 10.491 0.000 -2.129) 10.705 3.356 ( -1.387 -0.000 -0.238) 1.408 3.485 ( 6.454 0.000 -0.075) 6.455 3.652 ( 5.375 0.000 -15.514) 16.419 3.705 ( -0.198 -0.000 -1.295) 1.310 3.816 ( 1.204 0.000 -0.032) 1.204 4.031 ( 1.018 0.000 2.128) 2.358 4.072 ( -0.685 -0.000 -0.182) 0.708 4.143 ( -2.305 -0.000 -0.066) 2.306 4.204 ( 1.373 0.000 0.613) 1.504 4.390 ( -1.690 -0.000 -6.414) 6.633 4.398 ( -2.357 -0.000 5.570) 6.048 4.621 ( 4.431 0.000 6.997) 8.282 5.158 ( 0.551 0.000 0.622) 0.831 5.510 ( 0.935 0.000 1.641) 1.889 5.568 ( -5.330 -0.000 -2.180) 5.759 5.818 ( -5.170 -0.000 24.988) 25.517 5.956 ( -8.379 -0.000 -16.550) 18.550 6.271 ( 7.237 0.000 15.018) 16.671 6.509 ( 0.157 0.000 0.424) 0.452 6.911 ( -1.541 -0.000 -1.810) 2.377 7.321 ( -2.413 -0.000 -5.797) 6.279 8.408 ( -0.304 -0.000 -0.563) 0.640 8.832 ( 0.350 0.000 0.975) 1.036 9.240 ( -0.202 -0.000 -0.258) 0.328 9.246 ( 2.916 0.000 3.871) 4.847 9.386 ( -0.058 -0.000 -0.647) 0.649 9.686 ( -13.332 -0.000 70.234) 71.488 10.454 ( -6.138 -0.000 -3.894) 7.269 10.981 ( -5.363 -0.000 3.776) 6.559 11.740 ( 8.684 0.000 -6.360) 10.764 11.773 ( 0.118 0.000 0.114) 0.164 12.087 ( 7.414 0.000 -4.915) 8.895 12.571 ( 1.037 0.000 0.783) 1.300 12.925 ( 11.408 0.000 -61.341) 62.393 14.312 ( 0.052 0.000 -0.017) 0.055 15.663 ( -21.463 -0.000 56.931) 60.842 15.679 ( 0.215 0.000 0.694) 0.726 15.824 ( -0.268 -0.000 -0.653) 0.705 17.024 ( 1.192 0.000 0.721) 1.393 18.260 ( -0.045 -0.000 0.038) 0.059 18.374 ( 0.075 0.000 -0.028) 0.081 18.893 ( 0.610 0.000 1.151) 1.302 19.170 ( -2.672 -0.000 19.303) 19.487 19.895 ( 0.349 0.000 -0.229) 0.417 20.617 ( -9.946 -0.000 33.467) 34.914 21.644 ( 0.503 0.000 -0.186) 0.537 21.954 ( -1.679 -0.000 4.175) 4.500 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 13.689 -7.917 6.625) 17.145 0.524 ( 11.127 -11.663 10.153) 19.050 0.783 ( 5.191 -14.106 1.263) 15.084 0.900 ( 3.077 -10.789 5.509) 12.499 1.188 ( -4.616 -15.809 -2.890) 16.721 1.266 ( -0.943 -3.992 -4.400) 6.016 1.417 ( -1.992 -7.447 -3.506) 8.469 1.499 ( -4.979 -2.667 2.232) 6.074 1.597 ( 0.452 -2.450 4.051) 4.756 1.677 ( -0.606 -1.817 -1.013) 2.167 1.771 ( 2.082 1.081 0.545) 2.408 1.792 ( 0.299 1.709 -3.565) 3.965 1.835 ( -0.016 -3.941 -2.783) 4.824 1.893 ( 0.920 -0.591 -0.214) 1.114 1.948 ( 0.440 2.199 0.535) 2.305 2.135 ( -3.903 6.062 0.698) 7.244 2.248 ( 0.998 2.317 -0.312) 2.542 2.326 ( -0.918 1.250 -1.257) 1.996 2.412 ( -2.013 -0.604 0.159) 2.107 2.481 ( -3.163 -7.519 -1.220) 8.248 2.502 ( -0.290 1.287 -1.384) 1.912 2.590 ( -5.289 -12.029 -2.922) 13.461 2.624 ( 0.844 -4.255 -1.499) 4.589 2.684 ( -1.970 -1.803 6.455) 6.985 2.757 ( -2.199 0.290 -1.936) 2.944 2.841 ( -5.373 -1.067 -0.992) 5.567 2.914 ( 0.504 -2.779 2.898) 4.047 3.006 ( 0.747 0.767 0.123) 1.078 3.074 ( 0.941 2.503 -3.250) 4.208 3.135 ( 4.105 0.326 2.046) 4.598 3.312 ( 10.656 0.965 -0.342) 10.705 3.365 ( -2.444 -2.367 -3.750) 5.064 3.476 ( 6.430 4.532 0.534) 7.884 3.636 ( 5.112 1.760 -6.413) 8.388 3.738 ( 1.569 -0.538 2.849) 3.296 3.818 ( 0.587 0.027 0.718) 0.928 3.950 ( 1.813 5.779 4.530) 7.563 4.063 ( -0.704 0.455 -0.849) 1.193 4.130 ( 1.784 -4.278 1.610) 4.907 4.184 ( 1.536 -0.943 3.446) 3.888 4.303 ( -3.117 5.061 -4.750) 7.609 4.444 ( -2.271 -0.389 2.275) 3.239 4.659 ( 3.123 -0.613 2.023) 3.771 5.263 ( 0.129 -1.038 1.298) 1.668 5.482 ( -4.933 2.330 -2.214) 5.888 5.617 ( 1.915 -6.504 3.149) 7.476 6.025 ( -12.125 -19.833 -17.469) 29.078 6.173 ( -10.925 -22.497 1.289) 25.043 6.439 ( 3.363 -7.659 9.509) 12.665 6.534 ( -0.133 -3.946 2.138) 4.490 6.888 ( -1.175 0.045 -0.999) 1.543 7.398 ( -3.600 -9.140 -7.606) 12.424 8.512 ( -0.168 -10.359 -0.007) 10.361 8.875 ( 1.034 -3.204 2.271) 4.062 9.226 ( 1.458 -0.027 1.586) 2.154 9.313 ( 1.449 -2.543 1.652) 3.361 9.370 ( 1.175 2.110 5.180) 5.716 9.580 ( 3.402 6.388 26.292) 27.270 10.384 ( -7.061 1.650 -4.031) 8.296 10.918 ( -7.239 2.303 0.564) 7.617 11.508 ( 9.001 11.357 -5.501) 15.500 12.001 ( 14.999 2.971 1.239) 15.340 12.116 ( 2.259 -0.180 0.146) 2.271 12.520 ( 0.797 4.612 -0.034) 4.681 12.698 ( 7.106 5.742 -15.194) 17.729 14.316 ( -0.169 -0.180 -0.048) 0.251 14.962 ( 3.412 20.781 13.243) 24.877 15.921 ( -2.680 -12.524 -2.557) 13.060 16.203 ( -8.215 -14.920 3.952) 17.484 17.008 ( 1.252 2.065 0.462) 2.459 18.459 ( -0.024 -8.544 0.263) 8.548 18.739 ( -18.417 -23.688 -16.879) 34.427 18.880 ( -1.038 0.352 2.874) 3.076 19.172 ( -2.117 0.906 12.928) 13.132 19.890 ( 0.002 0.809 -0.285) 0.858 20.395 ( 3.041 14.561 12.710) 19.565 21.638 ( 0.555 0.918 -0.183) 1.088 21.919 ( -1.425 2.735 2.222) 3.801 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 10.575 -8.118 2.397) 13.546 0.822 ( 9.441 -10.410 12.190) 18.604 0.982 ( -0.204 -7.542 1.332) 7.661 1.141 ( -2.309 -10.136 -5.529) 11.775 1.336 ( -2.249 -6.790 -4.882) 8.660 1.480 ( -2.207 -6.681 -0.618) 7.063 1.490 ( -0.940 -2.114 6.568) 6.964 1.578 ( -1.287 1.614 -0.154) 2.070 1.628 ( -0.606 -8.423 -2.596) 8.835 1.741 ( 5.259 -2.920 0.879) 6.079 1.773 ( 2.225 -0.914 -2.390) 3.391 1.802 ( 1.729 -4.626 0.319) 4.949 1.877 ( -0.037 3.651 -0.531) 3.690 1.919 ( 0.216 -1.371 -0.841) 1.623 1.949 ( 0.842 -3.509 0.394) 3.630 2.003 ( -3.325 3.068 -0.654) 4.571 2.238 ( 2.826 -0.399 0.337) 2.874 2.281 ( -2.677 1.848 -2.281) 3.972 2.418 ( -1.262 2.500 -0.097) 2.802 2.426 ( -1.691 -2.256 -0.660) 2.896 2.569 ( -0.029 0.705 -0.715) 1.004 2.631 ( -3.249 0.576 4.506) 5.585 2.717 ( -5.076 -0.110 -3.359) 6.088 2.740 ( -3.361 2.517 -0.418) 4.219 2.777 ( -4.584 -8.149 -2.682) 9.727 2.843 ( 0.931 -7.333 1.650) 7.574 3.001 ( 2.519 -1.068 1.411) 3.079 3.031 ( 0.562 -2.190 -1.103) 2.515 3.087 ( 4.824 -5.094 -0.175) 7.017 3.157 ( 0.066 -0.244 1.454) 1.476 3.285 ( 5.478 6.042 -0.505) 8.171 3.429 ( 0.544 -2.246 -3.873) 4.510 3.464 ( 8.343 -1.063 0.468) 8.423 3.617 ( 3.147 2.682 -1.221) 4.312 3.739 ( 1.873 1.775 6.093) 6.617 3.836 ( 1.688 -0.798 1.462) 2.372 3.898 ( 0.399 1.298 -0.005) 1.358 4.042 ( -0.622 1.025 -1.524) 1.939 4.144 ( -3.201 4.786 -4.368) 7.227 4.212 ( -2.331 -1.889 2.306) 3.784 4.294 ( 1.646 -6.405 2.545) 7.086 4.452 ( -1.150 -2.087 2.175) 3.226 4.650 ( 1.622 3.211 -0.082) 3.598 5.272 ( 0.113 -0.524 0.075) 0.541 5.425 ( -3.639 0.416 -1.062) 3.813 5.761 ( 1.602 -6.073 2.509) 6.763 6.371 ( -3.388 -18.632 -5.902) 19.836 6.470 ( -3.079 -5.221 -0.184) 6.064 6.641 ( -5.266 -23.702 -5.933) 24.994 6.761 ( 0.012 -14.712 5.785) 15.809 6.918 ( 0.798 -3.469 2.433) 4.312 7.551 ( -5.897 -10.051 -10.847) 15.921 8.793 ( 0.537 -16.716 1.221) 16.769 8.966 ( 3.621 -3.506 6.221) 8.007 9.247 ( -1.744 -1.775 -1.227) 2.775 9.328 ( 2.445 1.565 3.300) 4.395 9.432 ( 5.393 -4.268 8.968) 11.302 9.560 ( 1.653 0.363 7.511) 7.699 10.288 ( -6.261 2.838 -3.251) 7.604 10.802 ( -7.809 3.491 -4.170) 9.517 11.337 ( 8.811 11.680 -5.027) 15.470 11.876 ( 15.223 17.500 -0.270) 23.196 12.097 ( 2.211 3.315 2.649) 4.785 12.397 ( 0.696 8.631 0.012) 8.659 12.806 ( -2.208 -13.042 -3.049) 13.574 14.298 ( -1.252 1.962 0.072) 2.328 14.701 ( -0.023 8.919 4.065) 9.802 16.202 ( -1.641 -16.535 -1.779) 16.711 16.433 ( -3.976 -12.593 1.544) 13.296 16.965 ( 1.047 2.988 0.385) 3.189 18.695 ( 0.464 -14.318 1.002) 14.361 18.789 ( 0.924 3.537 -3.757) 5.242 18.996 ( -7.724 -10.249 -8.285) 15.275 19.146 ( -5.635 -0.071 8.472) 10.175 19.850 ( -1.235 3.101 -0.227) 3.346 20.162 ( 3.755 12.786 4.547) 14.080 21.618 ( 0.481 1.268 -0.150) 1.365 21.843 ( -1.312 3.980 1.534) 4.462 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 5.020 -7.303 2.321) 9.161 1.091 ( 6.065 -9.297 6.208) 12.718 1.134 ( 3.742 -6.986 2.497) 8.309 1.262 ( -1.088 -3.336 -3.966) 5.296 1.453 ( -4.110 -7.436 -4.425) 9.579 1.475 ( -3.041 1.246 -3.237) 4.612 1.501 ( -0.529 1.698 3.659) 4.068 1.542 ( -0.664 1.527 0.038) 1.666 1.671 ( -0.108 1.487 -2.814) 3.185 1.764 ( 0.421 2.100 1.095) 2.405 1.787 ( 0.594 3.254 1.961) 3.846 1.796 ( 1.934 -1.129 -0.815) 2.383 1.915 ( -1.126 -0.942 -3.571) 3.861 1.946 ( 0.981 -1.219 -1.916) 2.474 2.001 ( 0.021 -0.747 1.376) 1.566 2.088 ( 0.530 -6.560 1.542) 6.759 2.238 ( -1.292 -0.180 -0.569) 1.423 2.295 ( 3.591 -4.495 4.044) 7.033 2.411 ( -0.273 -0.390 -1.984) 2.040 2.442 ( -5.415 0.705 -3.035) 6.247 2.500 ( 0.171 0.111 -1.354) 1.369 2.587 ( -1.598 3.770 2.541) 4.819 2.638 ( 0.369 -0.791 2.269) 2.431 2.759 ( -0.860 -0.500 -0.140) 1.005 2.871 ( -4.431 -4.493 -2.018) 6.625 2.957 ( 2.850 -1.930 2.024) 3.994 3.002 ( 2.565 1.292 -0.071) 2.873 3.108 ( -0.471 -2.348 -0.672) 2.487 3.147 ( 3.586 2.667 -2.211) 4.986 3.182 ( 0.342 -2.431 2.678) 3.633 3.301 ( 3.731 -6.959 -0.707) 7.928 3.421 ( 1.066 2.655 -1.959) 3.467 3.551 ( 0.215 -1.251 -2.509) 2.811 3.582 ( 2.995 1.662 0.180) 3.430 3.732 ( 2.468 0.963 5.221) 5.855 3.863 ( 2.022 -0.029 1.687) 2.633 3.896 ( 0.622 0.136 -0.760) 0.991 4.003 ( -0.113 1.713 -1.021) 1.998 4.040 ( -3.132 1.895 -2.070) 4.205 4.245 ( -4.203 -2.970 0.697) 5.193 4.404 ( 1.560 -2.824 2.950) 4.371 4.534 ( -0.559 -5.483 0.192) 5.515 4.582 ( 1.343 3.290 -0.553) 3.596 5.288 ( 0.436 -0.897 -0.506) 1.118 5.390 ( -2.693 1.223 -0.120) 2.960 5.871 ( 0.410 -3.844 0.613) 3.914 6.489 ( -0.025 -0.182 0.959) 0.977 6.657 ( -0.891 -11.458 -2.043) 11.673 6.983 ( -3.202 -7.028 -1.264) 7.826 7.049 ( 4.349 -11.683 5.150) 13.488 7.179 ( -2.698 -25.171 -1.404) 25.354 7.665 ( -6.760 -7.424 -11.425) 15.210 9.066 ( 4.898 -2.819 7.858) 9.679 9.111 ( 0.683 -10.439 1.277) 10.539 9.292 ( -2.617 -3.943 -2.313) 5.268 9.333 ( 2.780 -2.003 2.837) 4.448 9.501 ( 2.629 0.650 6.141) 6.711 9.694 ( 2.918 -10.281 4.497) 11.594 10.167 ( -5.164 5.060 -4.287) 8.405 10.687 ( -6.401 1.778 -5.540) 8.650 11.165 ( 7.274 9.468 -3.373) 12.407 11.569 ( 7.625 20.568 0.470) 21.941 12.050 ( 1.959 3.029 3.212) 4.830 12.222 ( -0.961 7.866 -0.872) 7.972 13.052 ( -1.410 -11.612 -0.526) 11.710 14.225 ( -1.977 3.435 0.265) 3.972 14.601 ( 0.274 2.490 1.235) 2.793 16.506 ( 0.124 -13.698 -0.460) 13.706 16.641 ( -3.053 -10.169 0.169) 10.618 16.913 ( 0.784 2.695 0.366) 2.830 18.710 ( 1.037 4.191 -1.290) 4.506 18.997 ( 1.423 -8.923 2.892) 9.487 19.041 ( 1.042 -3.726 -2.041) 4.374 19.210 ( -8.943 -10.714 -1.596) 14.047 19.740 ( -1.863 6.882 -0.213) 7.133 19.955 ( 3.224 10.846 1.803) 11.458 21.598 ( 0.369 1.033 -0.126) 1.104 21.762 ( -0.966 3.309 0.977) 3.583 ======================= Grid point 14 (10/115) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 2.002 -7.114 1.510) 7.543 1.210 ( -1.691 6.205 -1.009) 6.510 1.241 ( 1.138 -1.422 1.340) 2.261 1.326 ( 4.667 -8.065 2.256) 9.588 1.398 ( -1.534 5.924 -3.367) 6.984 1.485 ( 0.571 -1.755 0.290) 1.868 1.504 ( -0.861 -0.091 2.928) 3.053 1.571 ( -2.480 -3.453 -3.710) 5.642 1.608 ( -0.214 0.943 -0.998) 1.390 1.671 ( -3.698 3.042 -1.047) 4.902 1.810 ( 2.019 0.313 1.473) 2.519 1.824 ( 1.199 -0.566 3.187) 3.451 1.907 ( -0.268 0.249 -1.742) 1.780 1.988 ( 2.146 -1.550 -1.416) 3.002 1.998 ( 0.726 0.363 -0.285) 0.860 2.113 ( 1.048 1.120 -0.061) 1.535 2.224 ( -1.543 -0.284 0.329) 1.603 2.333 ( -6.532 -0.464 -5.590) 8.610 2.454 ( 0.658 -3.916 7.035) 8.079 2.479 ( 0.482 -3.275 -0.751) 3.394 2.516 ( -0.003 0.830 -0.250) 0.866 2.540 ( 1.865 2.360 0.133) 3.011 2.656 ( 1.110 0.073 1.728) 2.055 2.745 ( -0.562 0.725 -1.750) 1.976 2.893 ( -2.119 -0.981 1.480) 2.764 2.983 ( 0.673 0.170 0.093) 0.700 3.005 ( 3.263 1.034 -0.418) 3.448 3.061 ( -0.284 1.275 -1.882) 2.291 3.195 ( 1.757 -1.703 -0.659) 2.534 3.245 ( 1.204 -2.140 2.578) 3.560 3.346 ( 0.055 3.263 -2.398) 4.050 3.478 ( 4.062 -6.240 0.543) 7.465 3.487 ( -4.915 3.411 0.572) 6.010 3.599 ( 2.105 0.329 -0.916) 2.319 3.747 ( 1.419 0.298 3.155) 3.472 3.824 ( -0.455 3.240 0.382) 3.294 3.902 ( 0.473 -0.000 -0.838) 0.963 3.993 ( -1.220 0.060 -1.557) 1.979 4.006 ( -0.770 -0.169 -0.633) 1.011 4.278 ( -3.436 -3.124 -0.614) 4.684 4.434 ( 1.783 1.596 2.170) 3.230 4.537 ( -1.913 -0.891 -2.912) 3.596 4.639 ( 2.505 -1.933 2.281) 3.901 5.310 ( 0.597 -0.460 -0.203) 0.781 5.349 ( -1.228 0.536 0.093) 1.343 5.921 ( -0.316 -1.284 -0.312) 1.358 6.489 ( 0.004 0.096 0.270) 0.287 6.812 ( 0.499 -4.229 0.668) 4.311 7.052 ( -2.138 -1.979 -2.569) 3.884 7.234 ( 3.504 -3.158 4.689) 6.651 7.605 ( -0.479 -16.889 0.421) 16.901 7.710 ( -4.116 -1.666 -6.685) 8.025 9.106 ( -0.842 1.558 -1.012) 2.040 9.227 ( 3.119 -2.279 4.327) 5.800 9.293 ( -0.016 0.790 0.084) 0.794 9.415 ( 1.706 0.683 2.971) 3.493 9.593 ( 0.297 -7.097 1.723) 7.309 9.857 ( -0.467 0.640 -1.489) 1.686 10.065 ( -0.649 -2.493 -0.981) 2.757 10.648 ( -3.966 -2.188 -3.219) 5.557 11.090 ( 4.846 1.885 0.392) 5.215 11.209 ( 0.922 16.484 -0.216) 16.511 12.017 ( 0.909 1.886 1.544) 2.602 12.102 ( -0.902 2.601 -0.788) 2.864 13.211 ( -0.377 -4.618 -0.059) 4.634 14.170 ( -0.802 0.727 0.103) 1.087 14.577 ( 0.167 0.688 0.253) 0.752 16.698 ( 0.759 -4.345 0.127) 4.412 16.782 ( -1.998 -5.502 -0.402) 5.867 16.879 ( 0.658 1.078 0.356) 1.312 18.648 ( 0.561 2.081 -0.278) 2.173 18.963 ( 0.049 2.394 0.370) 2.423 19.319 ( -0.160 -13.357 0.475) 13.366 19.388 ( -1.807 -10.734 -1.407) 10.975 19.554 ( -1.253 10.692 -0.348) 10.770 19.784 ( 1.708 7.997 0.879) 8.225 21.584 ( 0.114 0.500 -0.064) 0.517 21.713 ( -0.305 1.040 0.325) 1.132 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.756 9.810 -1.004) 10.239 1.177 ( -1.687 6.681 -0.126) 6.892 1.226 ( -1.352 8.261 -0.933) 8.423 1.276 ( 1.596 -6.151 1.176) 6.462 1.448 ( -0.936 0.902 -0.495) 1.391 1.507 ( -0.440 1.352 -2.103) 2.539 1.526 ( 3.428 -2.971 3.321) 5.622 1.581 ( 1.023 -4.353 0.307) 4.483 1.629 ( -1.112 -0.928 -0.039) 1.449 1.689 ( -1.203 -4.334 -1.976) 4.913 1.773 ( -0.643 2.945 0.375) 3.037 1.845 ( 2.226 0.407 2.431) 3.321 1.911 ( -0.049 -0.602 2.456) 2.530 1.964 ( 0.042 1.622 -1.401) 2.143 2.041 ( 0.895 -1.121 -1.555) 2.116 2.127 ( 4.021 -0.519 0.657) 4.107 2.248 ( 0.112 -1.795 0.596) 1.894 2.323 ( -5.679 -2.082 -3.721) 7.101 2.416 ( -2.763 8.179 0.275) 8.637 2.464 ( -0.857 1.615 3.086) 3.588 2.505 ( 0.285 0.288 -1.198) 1.265 2.538 ( 1.995 -0.924 1.817) 2.852 2.649 ( -0.012 0.815 -2.106) 2.259 2.754 ( -0.366 -2.234 -0.343) 2.290 2.913 ( -0.276 -1.509 1.542) 2.175 2.941 ( -1.131 2.658 -0.666) 2.964 3.019 ( 4.248 -0.078 -1.865) 4.640 3.086 ( 0.501 -2.117 0.602) 2.257 3.195 ( -0.176 1.606 2.076) 2.631 3.259 ( 3.201 3.236 -1.384) 4.757 3.289 ( -3.278 2.435 -1.618) 4.392 3.408 ( -1.266 0.354 2.221) 2.581 3.544 ( -1.598 4.614 4.019) 6.324 3.615 ( 3.393 -2.719 -3.088) 5.333 3.701 ( -0.624 4.271 5.067) 6.657 3.798 ( -3.311 -1.458 -4.802) 6.013 3.871 ( -1.724 2.128 -1.350) 3.054 3.985 ( 0.423 -1.211 -1.579) 2.035 4.041 ( 0.847 -2.772 1.728) 3.375 4.321 ( -0.628 -2.546 -1.364) 2.956 4.400 ( 0.461 2.176 0.268) 2.241 4.530 ( -1.457 1.284 -1.474) 2.438 4.651 ( 1.911 2.027 1.853) 3.346 5.297 ( -0.266 0.665 0.204) 0.745 5.384 ( 0.933 -2.865 -0.001) 3.013 5.916 ( -0.415 1.572 -0.424) 1.680 6.489 ( 0.067 -0.036 -0.114) 0.137 6.830 ( 1.071 3.104 2.138) 3.918 7.022 ( -2.143 2.755 -4.160) 5.431 7.229 ( 1.681 5.947 1.983) 6.490 7.619 ( 0.626 9.618 -0.389) 9.646 7.819 ( 0.966 -4.155 3.550) 5.549 9.011 ( -2.897 5.013 -4.661) 7.433 9.245 ( 0.036 2.653 0.864) 2.790 9.282 ( 1.517 1.658 2.515) 3.373 9.393 ( 0.071 1.903 -1.882) 2.677 9.605 ( 1.754 6.644 2.761) 7.405 9.746 ( -4.639 5.035 -6.484) 9.429 10.197 ( 4.187 -5.649 3.969) 8.074 10.700 ( -1.083 -4.769 -0.638) 4.932 10.981 ( -2.136 2.513 -0.013) 3.298 11.187 ( -0.398 -7.213 1.372) 7.353 11.992 ( -0.323 0.168 -0.809) 0.887 12.119 ( 0.192 -3.892 0.183) 3.901 13.221 ( 0.242 3.513 0.039) 3.521 14.191 ( 0.542 -2.736 -0.107) 2.791 14.570 ( -0.140 -0.056 -0.206) 0.256 16.686 ( -0.140 5.321 -0.101) 5.324 16.816 ( 0.082 1.671 -0.041) 1.673 16.874 ( 0.465 0.123 0.140) 0.501 18.645 ( 0.089 -1.538 0.480) 1.614 18.945 ( -0.695 -0.808 -0.632) 1.239 19.299 ( -0.687 14.014 -0.226) 14.033 19.503 ( 4.597 -1.411 1.954) 5.190 19.586 ( 0.078 -9.665 0.080) 9.665 19.712 ( -2.359 -3.166 -1.377) 4.181 21.580 ( -0.118 -0.175 0.006) 0.211 21.721 ( 0.258 -1.729 -0.211) 1.761 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -2.989 12.354 -1.020) 12.752 0.943 ( -1.630 14.401 -1.983) 14.628 1.091 ( -0.182 4.933 -0.389) 4.952 1.330 ( 0.600 3.297 3.481) 4.832 1.444 ( 0.895 -1.859 -1.444) 2.518 1.497 ( -2.409 -1.084 -1.968) 3.294 1.581 ( 1.690 2.025 0.016) 2.638 1.606 ( 2.454 -0.265 2.654) 3.625 1.690 ( -0.682 2.138 -1.559) 2.732 1.716 ( 0.613 -4.403 1.484) 4.687 1.734 ( -1.698 0.814 0.132) 1.888 1.857 ( 1.827 -0.095 0.257) 1.847 1.927 ( 0.262 -0.166 0.694) 0.761 1.938 ( -0.745 0.387 2.135) 2.294 2.037 ( -1.109 13.956 -0.231) 14.002 2.055 ( 1.258 0.433 -1.573) 2.060 2.194 ( 0.381 2.917 -0.270) 2.954 2.319 ( 1.167 -0.639 0.040) 1.332 2.345 ( -3.280 -2.715 -1.759) 4.607 2.475 ( -0.667 -1.137 1.909) 2.320 2.480 ( -0.484 0.686 -1.333) 1.575 2.618 ( 1.250 -5.812 3.218) 6.760 2.650 ( -0.299 -3.198 -3.823) 4.993 2.805 ( 0.285 -2.112 0.266) 2.148 2.884 ( -1.055 1.509 -0.081) 1.843 2.940 ( 0.087 -0.574 0.448) 0.733 3.035 ( 3.781 1.939 -1.419) 4.480 3.101 ( -0.214 3.125 2.880) 4.256 3.128 ( -0.406 5.953 -0.496) 5.987 3.160 ( -2.438 3.552 -0.621) 4.353 3.251 ( 4.306 1.337 1.173) 4.659 3.364 ( -6.291 8.524 -0.638) 10.614 3.442 ( -0.797 -2.154 0.855) 2.451 3.619 ( 0.455 3.867 1.560) 4.195 3.652 ( -0.428 -0.719 -2.289) 2.437 3.820 ( 0.209 0.088 -1.707) 1.722 3.838 ( -2.183 -2.814 -0.123) 3.563 4.026 ( 0.432 -1.881 0.335) 1.959 4.123 ( 1.089 -4.204 1.494) 4.592 4.328 ( 1.509 3.411 0.232) 3.737 4.378 ( 1.257 0.028 -1.699) 2.114 4.449 ( -3.089 4.613 -0.793) 5.608 4.627 ( 0.925 0.643 0.852) 1.412 5.288 ( 0.048 0.527 0.158) 0.553 5.444 ( 0.743 -2.254 0.011) 2.373 5.847 ( -0.430 5.076 -0.536) 5.123 6.488 ( 0.114 0.311 -0.245) 0.412 6.715 ( 1.026 9.267 1.652) 9.469 6.922 ( -1.100 5.686 -1.984) 6.122 7.035 ( -0.071 13.199 -0.119) 13.200 7.341 ( 3.595 18.979 2.295) 19.452 7.806 ( 0.418 5.911 2.963) 6.626 8.906 ( -1.845 2.473 -3.146) 4.406 9.089 ( -0.437 13.322 -0.557) 13.341 9.239 ( -1.235 2.515 -1.964) 3.421 9.336 ( -0.317 2.994 -1.621) 3.420 9.488 ( 2.367 6.414 4.177) 8.012 9.582 ( -2.620 6.089 -4.415) 7.964 10.325 ( 2.485 -4.476 1.869) 5.449 10.808 ( 0.527 -5.666 0.001) 5.691 11.064 ( -0.323 -10.118 2.920) 10.536 11.343 ( -4.843 -9.455 -1.085) 10.678 12.013 ( -0.180 -2.335 -0.646) 2.429 12.233 ( -0.002 -7.030 0.006) 7.030 13.083 ( 0.428 10.227 0.158) 10.237 14.266 ( 0.626 -3.662 -0.093) 3.716 14.587 ( -0.128 -2.306 -0.508) 2.365 16.507 ( 0.002 12.042 0.088) 12.042 16.703 ( 0.877 9.320 -0.030) 9.361 16.899 ( -0.109 -2.288 -0.061) 2.291 18.704 ( -0.066 -3.945 0.608) 3.992 18.949 ( -0.646 5.928 -0.917) 6.033 19.027 ( -0.319 6.820 0.443) 6.842 19.486 ( 6.361 4.333 1.999) 7.952 19.782 ( 0.515 -8.724 -0.275) 8.743 19.816 ( -3.894 -7.713 -1.608) 8.789 21.590 ( -0.124 -0.891 0.014) 0.900 21.778 ( 0.327 -3.668 -0.333) 3.697 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -0.000 13.456 0.000) 13.456 0.622 ( -0.000 16.455 0.000) 16.455 0.992 ( -0.000 5.419 0.000) 5.419 1.215 ( -0.000 13.279 0.000) 13.279 1.341 ( -0.000 11.012 0.000) 11.012 1.473 ( -0.000 1.911 0.000) 1.911 1.516 ( -0.000 4.735 0.000) 4.735 1.638 ( -0.000 1.524 0.000) 1.524 1.665 ( 0.000 -1.573 -0.000) 1.573 1.673 ( -0.000 2.286 0.000) 2.286 1.761 ( -0.000 6.611 0.000) 6.611 1.773 ( -0.000 0.713 0.000) 0.713 1.893 ( 0.000 -2.953 -0.000) 2.953 1.898 ( -0.000 1.680 0.000) 1.680 1.954 ( -0.000 2.842 0.000) 2.842 2.072 ( 0.000 -3.766 -0.000) 3.766 2.180 ( 0.000 -1.311 -0.000) 1.311 2.326 ( -0.000 0.110 0.000) 0.110 2.407 ( 0.000 -4.131 -0.000) 4.131 2.431 ( -0.000 1.722 0.000) 1.722 2.531 ( 0.000 -3.438 -0.000) 3.438 2.738 ( 0.000 -3.917 -0.000) 3.917 2.746 ( -0.000 0.847 0.000) 0.847 2.799 ( -0.000 0.358 0.000) 0.358 2.878 ( -0.000 7.995 0.000) 7.995 2.916 ( -0.000 0.821 0.000) 0.821 2.929 ( -0.000 1.798 0.000) 1.798 2.990 ( -0.000 3.953 0.000) 3.953 3.030 ( -0.000 5.941 0.000) 5.941 3.114 ( 0.000 -0.528 -0.000) 0.528 3.174 ( -0.000 2.619 0.000) 2.619 3.319 ( 0.000 -3.127 -0.000) 3.127 3.467 ( -0.000 0.104 0.000) 0.104 3.563 ( -0.000 1.909 0.000) 1.909 3.666 ( 0.000 -1.134 -0.000) 1.134 3.814 ( 0.000 -0.254 -0.000) 0.254 3.896 ( 0.000 -2.179 -0.000) 2.179 4.057 ( 0.000 -1.111 -0.000) 1.111 4.188 ( -0.000 0.756 0.000) 0.756 4.239 ( -0.000 5.224 0.000) 5.224 4.326 ( -0.000 1.964 0.000) 1.964 4.401 ( 0.000 -0.488 -0.000) 0.488 4.646 ( 0.000 -1.297 -0.000) 1.297 5.271 ( -0.000 1.092 0.000) 1.092 5.485 ( 0.000 -2.082 -0.000) 2.082 5.720 ( -0.000 7.029 0.000) 7.029 6.446 ( -0.000 7.791 0.000) 7.791 6.526 ( -0.000 5.759 0.000) 5.759 6.643 ( -0.000 19.711 0.000) 19.711 6.893 ( -0.000 1.721 0.000) 1.721 6.975 ( -0.000 18.295 0.000) 18.295 7.632 ( -0.000 10.991 0.000) 10.991 8.775 ( -0.000 16.069 0.000) 16.069 8.878 ( -0.000 0.256 0.000) 0.256 9.193 ( -0.000 0.302 0.000) 0.302 9.265 ( -0.000 4.133 0.000) 4.133 9.386 ( -0.000 4.197 0.000) 4.197 9.495 ( -0.000 2.611 0.000) 2.611 10.419 ( 0.000 -3.952 -0.000) 3.952 10.907 ( 0.000 -3.960 -0.000) 3.960 11.312 ( 0.000 -12.446 -0.000) 12.446 11.488 ( 0.000 -7.924 -0.000) 7.924 12.069 ( 0.000 -3.103 -0.000) 3.103 12.381 ( 0.000 -7.430 -0.000) 7.430 12.845 ( -0.000 13.193 0.000) 13.193 14.316 ( 0.000 -1.008 -0.000) 1.008 14.675 ( 0.000 -6.679 -0.000) 6.679 16.235 ( -0.000 14.689 0.000) 14.689 16.495 ( -0.000 11.070 0.000) 11.070 16.950 ( 0.000 -2.688 -0.000) 2.688 18.683 ( -0.000 13.749 0.000) 13.749 18.788 ( 0.000 -4.159 -0.000) 4.159 19.052 ( 0.000 -2.868 -0.000) 2.868 19.451 ( -0.000 2.172 0.000) 2.172 19.871 ( 0.000 -1.974 -0.000) 1.974 19.989 ( 0.000 -9.408 -0.000) 9.408 21.611 ( 0.000 -1.194 -0.000) 1.194 21.859 ( 0.000 -4.094 -0.000) 4.094 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 9.353 0.000 3.014) 9.826 0.530 ( 16.087 0.000 9.739) 18.805 0.771 ( -1.503 -0.000 -0.433) 1.564 0.853 ( 22.859 0.000 18.212) 29.228 0.863 ( -0.221 -0.000 0.694) 0.728 1.228 ( -2.116 -0.000 -5.828) 6.201 1.275 ( -3.191 -0.000 -7.470) 8.123 1.466 ( -3.561 -0.000 6.669) 7.560 1.566 ( 2.428 0.000 5.760) 6.250 1.646 ( -3.718 -0.000 -4.251) 5.648 1.738 ( 0.830 0.000 -1.661) 1.857 1.813 ( 0.804 0.000 -7.840) 7.881 1.853 ( 1.145 0.000 0.272) 1.177 1.903 ( 1.489 0.000 2.069) 2.549 1.978 ( 0.734 0.000 1.156) 1.369 2.184 ( -4.923 -0.000 0.857) 4.997 2.303 ( -1.463 0.000 0.041) 1.464 2.303 ( -0.741 0.000 0.486) 0.886 2.341 ( -3.334 -0.000 -3.862) 5.102 2.371 ( -2.128 -0.000 -0.935) 2.324 2.445 ( -1.630 -0.000 0.729) 1.785 2.451 ( 0.977 0.000 1.199) 1.547 2.574 ( -5.166 -0.000 -4.152) 6.627 2.686 ( -1.570 -0.000 2.003) 2.544 2.744 ( -2.850 -0.000 -5.371) 6.081 2.800 ( 0.884 0.000 5.003) 5.081 2.874 ( -4.447 -0.000 3.287) 5.530 3.025 ( 1.913 0.000 0.335) 1.942 3.126 ( 2.382 0.000 -4.362) 4.970 3.145 ( 2.839 0.000 0.480) 2.879 3.331 ( -2.089 -0.000 0.068) 2.091 3.392 ( 12.313 0.000 0.221) 12.315 3.590 ( 8.202 0.000 0.503) 8.218 3.682 ( 4.026 0.000 -7.952) 8.913 3.697 ( -0.204 -0.000 -1.834) 1.845 3.842 ( 2.378 0.000 1.704) 2.926 4.054 ( -2.441 -0.000 0.178) 2.447 4.060 ( 1.919 0.000 3.338) 3.850 4.101 ( -3.062 -0.000 -1.060) 3.241 4.229 ( 1.672 0.000 0.688) 1.808 4.348 ( -1.568 -0.000 -4.081) 4.372 4.383 ( -1.333 -0.000 0.253) 1.356 4.711 ( 4.866 0.000 8.101) 9.450 5.176 ( 1.575 0.000 2.148) 2.664 5.477 ( -5.924 -0.000 -3.679) 6.974 5.529 ( 0.754 0.000 1.077) 1.315 5.797 ( -7.616 -0.000 -14.225) 16.135 5.812 ( -3.778 -0.000 10.743) 11.388 6.407 ( 6.460 0.000 12.893) 14.421 6.516 ( 0.589 0.000 0.934) 1.104 6.872 ( -2.996 -0.000 -3.575) 4.664 7.251 ( -4.715 -0.000 -7.207) 8.613 8.401 ( -0.441 -0.000 -0.795) 0.909 8.843 ( 0.564 0.000 1.489) 1.592 9.235 ( -0.330 -0.000 -0.420) 0.534 9.319 ( 5.286 0.000 6.403) 8.303 9.382 ( -0.103 -0.000 -1.006) 1.011 9.730 ( -3.631 -0.000 32.169) 32.373 10.344 ( -7.373 -0.000 -3.130) 8.010 10.888 ( -8.575 -0.000 -1.132) 8.649 11.775 ( 0.181 0.000 0.175) 0.252 11.874 ( 12.025 0.000 -0.547) 12.038 12.194 ( 7.282 0.000 6.513) 9.770 12.585 ( 0.490 0.000 -0.556) 0.741 12.882 ( 4.258 0.000 -34.953) 35.211 14.312 ( 0.080 0.000 -0.026) 0.085 15.511 ( -17.292 -0.000 20.851) 27.088 15.686 ( 0.385 0.000 1.192) 1.252 15.817 ( -0.466 -0.000 -1.129) 1.221 17.045 ( 1.487 0.000 0.865) 1.720 18.259 ( -0.064 -0.000 0.060) 0.088 18.376 ( 0.111 0.000 -0.045) 0.120 18.910 ( 1.100 0.000 1.635) 1.971 19.199 ( 0.573 0.000 8.113) 8.133 19.900 ( 0.613 0.000 -0.337) 0.699 20.572 ( -6.991 -0.000 13.820) 15.488 21.653 ( 0.762 0.000 -0.340) 0.835 21.941 ( -1.714 -0.000 2.788) 3.273 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 5.054 -17.727 2.614) 18.618 0.698 ( 13.615 -4.891 6.936) 16.044 0.817 ( 0.154 -5.026 0.514) 5.055 0.971 ( 3.473 -6.000 5.847) 9.069 1.202 ( 0.455 -10.171 1.336) 10.269 1.236 ( 1.565 -9.618 -1.196) 9.818 1.370 ( -2.019 -10.367 -5.011) 11.690 1.478 ( -0.190 -2.272 7.865) 8.189 1.582 ( -2.729 0.614 -1.648) 3.246 1.694 ( 2.598 -5.986 2.445) 6.969 1.778 ( 0.280 0.498 -7.591) 7.613 1.806 ( 2.545 0.491 1.473) 2.981 1.830 ( 0.565 -2.718 -3.855) 4.750 1.911 ( 1.614 -0.191 0.874) 1.846 1.959 ( 0.921 2.119 1.535) 2.774 2.083 ( -3.577 5.827 0.547) 6.859 2.247 ( -1.540 1.224 -0.837) 2.138 2.297 ( -2.019 1.175 -1.970) 3.056 2.371 ( -3.213 -1.902 -0.675) 3.794 2.445 ( -1.815 -6.559 -0.926) 6.868 2.467 ( -3.344 2.427 -3.502) 5.416 2.518 ( -4.317 -9.611 -0.994) 10.583 2.630 ( 0.616 -10.292 -0.496) 10.322 2.670 ( -2.143 0.694 2.951) 3.713 2.722 ( -2.005 0.513 -2.131) 2.971 2.772 ( -4.256 1.807 2.838) 5.425 2.935 ( 1.179 -6.151 1.975) 6.567 3.035 ( 2.626 0.366 -0.216) 2.661 3.090 ( 2.496 2.462 -1.843) 3.961 3.174 ( 1.177 0.616 1.035) 1.684 3.317 ( -3.131 -1.049 -2.475) 4.126 3.474 ( 12.112 0.965 -0.112) 12.151 3.565 ( 5.604 5.162 0.851) 7.666 3.680 ( 3.702 1.283 -3.362) 5.163 3.754 ( 0.772 -2.991 0.038) 3.090 3.847 ( 2.941 1.386 0.920) 3.379 3.966 ( -1.306 4.678 1.950) 5.233 4.046 ( -1.229 0.743 -1.558) 2.119 4.154 ( 1.285 -4.115 2.235) 4.856 4.222 ( 2.149 0.526 3.058) 3.774 4.257 ( -1.911 6.066 -1.973) 6.659 4.406 ( -3.077 -1.978 -0.783) 3.740 4.720 ( 3.822 2.047 4.076) 5.951 5.272 ( 0.484 -1.040 1.570) 1.945 5.402 ( -5.109 1.176 -2.762) 5.925 5.657 ( 2.292 -6.779 3.777) 8.092 5.837 ( -8.051 -21.756 -11.733) 25.997 6.064 ( -6.752 -18.740 -0.125) 19.920 6.506 ( 2.149 -1.315 3.517) 4.327 6.572 ( 4.090 -7.269 7.541) 11.244 6.865 ( -1.478 -2.152 -1.373) 2.950 7.296 ( -6.900 -8.171 -9.721) 14.452 8.509 ( -0.260 -10.913 -0.180) 10.917 8.897 ( 1.027 -4.449 2.210) 5.073 9.238 ( -0.063 -0.061 0.238) 0.254 9.365 ( 4.506 -0.238 4.579) 6.429 9.391 ( 0.955 -1.314 1.410) 2.151 9.682 ( 1.377 5.625 19.074) 19.934 10.279 ( -6.164 1.297 -2.021) 6.616 10.798 ( -8.796 2.394 -4.633) 10.226 11.620 ( 7.480 10.551 0.146) 12.935 12.122 ( 5.993 -5.831 0.367) 8.370 12.221 ( 8.695 3.767 6.614) 11.556 12.519 ( -0.777 3.943 -3.214) 5.145 12.714 ( 3.106 9.037 -16.290) 18.886 14.313 ( -0.249 0.259 -0.064) 0.365 15.002 ( -1.956 21.502 8.476) 23.195 15.876 ( -2.599 -12.972 -1.844) 13.357 16.115 ( -5.697 -17.370 2.253) 18.419 17.029 ( 1.444 2.356 0.640) 2.836 18.457 ( -0.829 -9.823 0.333) 9.864 18.532 ( -7.466 -19.197 -5.665) 21.363 18.892 ( 0.895 2.531 1.853) 3.262 19.194 ( 0.673 2.085 5.649) 6.059 19.889 ( 0.014 1.545 -0.312) 1.576 20.425 ( -1.845 10.568 7.053) 12.839 21.646 ( 0.656 1.033 -0.285) 1.257 21.905 ( -1.499 2.701 2.040) 3.702 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 6.211 -4.854 2.426) 8.247 0.961 ( 6.047 -8.740 4.966) 11.731 1.012 ( 3.476 -12.080 4.334) 13.296 1.122 ( 2.155 -6.954 0.556) 7.302 1.268 ( -4.696 -6.063 -5.032) 9.173 1.429 ( -4.123 -3.816 -4.777) 7.374 1.503 ( -0.623 -2.633 5.715) 6.323 1.559 ( -0.789 -0.295 -0.700) 1.095 1.623 ( 0.172 -5.022 -0.118) 5.027 1.786 ( 3.248 -1.140 -5.725) 6.680 1.824 ( 1.186 -5.833 1.062) 6.047 1.833 ( 3.876 -3.060 1.829) 5.266 1.884 ( 1.035 6.232 0.227) 6.322 1.910 ( -0.803 -2.187 1.311) 2.674 1.963 ( -1.464 -0.054 -1.584) 2.158 1.977 ( 2.067 -2.685 1.897) 3.884 2.220 ( -3.648 0.007 -1.074) 3.803 2.286 ( 2.904 -0.809 -1.565) 3.397 2.368 ( -4.390 -0.669 0.440) 4.462 2.411 ( 0.078 -0.771 -4.705) 4.769 2.560 ( -4.862 -3.732 1.651) 6.348 2.569 ( -3.176 5.260 -0.585) 6.172 2.643 ( -2.665 -1.630 0.983) 3.275 2.712 ( -1.531 -4.334 -1.711) 4.905 2.741 ( -1.286 -1.906 1.555) 2.776 2.872 ( 2.148 -9.137 0.838) 9.423 3.034 ( 1.565 0.800 -0.543) 1.840 3.055 ( 3.458 -3.035 1.102) 4.731 3.140 ( 2.831 -5.410 -1.907) 6.397 3.158 ( -0.137 -0.390 2.655) 2.687 3.295 ( -2.591 2.010 -2.802) 4.314 3.456 ( 3.580 3.994 -1.325) 5.525 3.573 ( 7.104 0.334 -0.822) 7.159 3.659 ( 2.589 2.754 1.364) 4.019 3.780 ( 2.197 1.651 3.885) 4.759 3.857 ( 0.494 -1.708 0.374) 1.817 3.909 ( 1.645 1.470 -1.187) 2.505 4.021 ( -2.272 0.275 -1.040) 2.513 4.099 ( -0.894 6.317 -2.599) 6.889 4.186 ( -2.786 0.176 2.839) 3.981 4.331 ( 2.445 -6.594 1.938) 7.295 4.428 ( -2.487 -3.047 0.419) 3.955 4.678 ( 1.944 4.461 0.843) 4.938 5.275 ( 0.455 -0.324 -0.166) 0.583 5.370 ( -3.668 -0.783 -1.087) 3.905 5.786 ( 1.103 -5.161 1.788) 5.572 6.318 ( -1.444 -23.104 -5.395) 23.769 6.414 ( -5.166 -17.669 0.458) 18.414 6.561 ( -3.052 -10.472 -3.227) 11.375 6.820 ( 3.987 -11.702 5.338) 13.466 6.954 ( 3.285 -6.480 5.334) 9.013 7.407 ( -9.311 -9.951 -12.968) 18.812 8.803 ( 0.406 -17.558 1.010) 17.592 9.025 ( 2.393 -6.310 4.344) 8.026 9.217 ( -1.626 0.894 -1.576) 2.434 9.384 ( 4.205 1.797 3.468) 5.739 9.508 ( 2.473 -8.664 3.638) 9.716 9.611 ( 1.731 4.855 9.238) 10.578 10.207 ( -4.131 2.427 -1.112) 4.918 10.676 ( -7.515 2.857 -6.757) 10.502 11.440 ( 6.947 12.584 -1.872) 14.495 12.035 ( 8.251 18.044 -2.795) 20.037 12.157 ( 4.814 5.171 4.765) 8.521 12.403 ( 0.392 10.391 -0.648) 10.418 12.761 ( -2.821 -14.516 -3.156) 15.121 14.280 ( -1.277 2.783 0.071) 3.063 14.707 ( -0.563 8.980 2.874) 9.445 16.175 ( -1.510 -17.713 -1.407) 17.833 16.388 ( -3.084 -13.410 1.124) 13.806 16.981 ( 1.038 3.266 0.425) 3.453 18.704 ( 0.299 -14.594 1.668) 14.692 18.780 ( -0.297 -3.865 -7.805) 8.715 18.877 ( -5.848 -8.375 1.825) 10.377 19.141 ( -0.001 4.165 3.537) 5.464 19.832 ( -1.146 3.858 -0.220) 4.031 20.204 ( 1.218 11.740 2.557) 12.077 21.624 ( 0.439 1.341 -0.191) 1.423 21.830 ( -1.150 3.896 1.300) 4.265 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.733 -5.794 1.496) 6.230 1.182 ( 5.496 -8.041 2.770) 10.126 1.218 ( 4.483 -5.193 5.958) 9.086 1.247 ( 0.841 -2.943 -2.294) 3.825 1.376 ( -4.518 -8.336 -3.138) 9.987 1.420 ( -3.384 -0.924 -3.845) 5.205 1.512 ( 0.039 3.123 0.788) 3.221 1.530 ( -0.476 0.896 0.804) 1.295 1.661 ( -0.519 1.473 -2.231) 2.723 1.732 ( -2.689 5.574 -0.594) 6.217 1.827 ( 2.119 0.684 3.074) 3.795 1.839 ( 3.282 -0.568 0.678) 3.399 1.889 ( -1.142 -1.056 -1.698) 2.303 1.945 ( 0.470 -1.845 -4.093) 4.514 2.025 ( 2.019 0.069 1.291) 2.398 2.085 ( -1.361 -5.746 1.508) 6.095 2.208 ( -1.986 -0.362 -0.125) 2.022 2.335 ( -5.925 5.585 -4.111) 9.121 2.368 ( 4.342 -5.654 2.477) 7.547 2.407 ( -0.518 -3.533 0.630) 3.626 2.502 ( 0.648 -1.585 -0.800) 1.890 2.566 ( -2.214 0.073 1.293) 2.565 2.667 ( 2.266 -0.683 1.307) 2.704 2.749 ( -1.287 0.087 0.774) 1.504 2.816 ( -2.527 -5.286 -1.221) 5.985 3.001 ( 2.502 -1.370 0.242) 2.863 3.022 ( 0.670 0.565 0.004) 0.877 3.110 ( 0.491 1.836 0.320) 1.927 3.188 ( 0.899 -1.326 0.542) 1.691 3.203 ( 4.276 -1.780 -0.392) 4.648 3.333 ( 0.769 -6.767 -1.213) 6.918 3.399 ( -3.533 1.846 -2.643) 4.783 3.552 ( 2.085 3.932 0.678) 4.502 3.635 ( 2.920 1.557 0.105) 3.311 3.779 ( 2.280 0.934 4.507) 5.136 3.881 ( -0.669 0.789 2.096) 2.337 3.907 ( 2.329 0.342 -2.300) 3.292 3.989 ( -3.012 1.267 -2.568) 4.156 4.009 ( 1.216 1.473 -0.404) 1.952 4.185 ( -4.585 -2.685 0.405) 5.328 4.428 ( 0.603 -2.960 1.623) 3.430 4.515 ( -0.860 -2.944 -0.866) 3.187 4.613 ( 1.952 0.778 0.939) 2.302 5.295 ( 0.752 -1.135 -0.501) 1.451 5.355 ( -2.187 0.548 0.061) 2.256 5.873 ( -0.083 -3.147 -0.001) 3.148 6.491 ( -0.048 -0.288 0.518) 0.594 6.652 ( 0.498 -12.148 -0.148) 12.159 6.914 ( -4.287 -12.488 -2.988) 13.537 7.134 ( 3.249 -18.521 2.008) 18.911 7.180 ( 3.442 -13.174 6.470) 15.075 7.524 ( -8.140 -9.979 -11.482) 17.253 9.126 ( 0.981 -3.671 2.139) 4.360 9.135 ( 2.090 -7.444 2.914) 8.263 9.249 ( -2.103 -7.168 -1.803) 7.685 9.392 ( 3.939 -1.675 3.117) 5.294 9.538 ( 0.306 3.800 3.737) 5.338 9.742 ( 2.145 -11.241 2.872) 11.799 10.103 ( -2.554 5.626 -1.961) 6.482 10.587 ( -5.023 0.283 -5.184) 7.224 11.243 ( 4.713 9.770 -1.801) 10.995 11.650 ( 3.972 23.515 -0.039) 23.848 12.094 ( 2.858 4.207 3.471) 6.157 12.199 ( -1.911 8.209 -1.763) 8.611 13.033 ( -0.982 -12.507 -0.362) 12.550 14.202 ( -1.344 3.224 0.168) 3.497 14.607 ( 0.149 2.471 0.736) 2.583 16.507 ( 0.230 -15.185 -0.445) 15.193 16.605 ( -2.181 -9.845 0.245) 10.086 16.924 ( 0.583 2.864 0.272) 2.936 18.722 ( 1.003 4.372 -0.754) 4.549 19.023 ( 0.997 -10.958 2.674) 11.324 19.047 ( 0.898 -0.996 -2.388) 2.739 19.108 ( -5.415 -13.240 -0.445) 14.311 19.718 ( -1.209 6.841 -0.168) 6.949 19.991 ( 1.495 10.861 0.866) 10.998 21.602 ( 0.247 1.121 -0.118) 1.154 21.753 ( -0.639 3.097 0.654) 3.230 ======================= Grid point 24 (18/115) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.737 -7.059 0.822) 7.145 1.190 ( -0.746 6.917 -0.456) 6.973 1.249 ( -0.094 1.932 0.605) 2.027 1.383 ( 0.138 6.475 -1.445) 6.636 1.388 ( 2.719 -6.714 1.422) 7.381 1.488 ( -0.274 -5.412 1.003) 5.511 1.512 ( 0.291 -2.175 -0.420) 2.235 1.523 ( -1.596 -2.833 -1.016) 3.407 1.607 ( 0.037 3.148 -0.381) 3.171 1.621 ( -2.392 1.492 -1.048) 3.008 1.828 ( 0.270 2.241 0.993) 2.466 1.858 ( 1.964 -0.935 3.324) 3.972 1.890 ( -1.291 -0.575 -2.320) 2.716 2.009 ( 1.110 -2.412 -1.459) 3.030 2.013 ( 0.973 1.899 -0.119) 2.137 2.140 ( 3.183 -0.877 -0.503) 3.339 2.201 ( -2.375 -0.942 2.065) 3.285 2.239 ( -4.234 -0.861 -2.777) 5.136 2.473 ( 0.323 -1.516 2.603) 3.029 2.483 ( -0.320 -2.235 -0.071) 2.259 2.522 ( 1.171 0.762 -1.684) 2.188 2.551 ( -0.200 0.549 1.434) 1.548 2.679 ( 1.229 1.611 0.906) 2.219 2.730 ( -0.757 0.181 -1.236) 1.461 2.873 ( -0.894 -2.267 0.428) 2.474 2.985 ( -0.082 2.248 -0.049) 2.250 3.039 ( 1.272 -0.634 0.997) 1.737 3.055 ( 0.065 0.495 -1.677) 1.750 3.232 ( 3.175 1.856 -0.338) 3.694 3.274 ( 1.508 -2.900 1.272) 3.508 3.335 ( 0.009 1.886 -0.931) 2.104 3.385 ( -6.115 -0.069 -1.694) 6.346 3.575 ( 5.115 -3.934 3.158) 7.184 3.621 ( 0.974 1.571 -0.174) 1.856 3.747 ( -2.099 3.089 1.042) 3.877 3.822 ( 0.061 4.047 -0.177) 4.051 3.906 ( 0.501 1.649 -0.064) 1.724 3.960 ( -1.512 -0.706 -2.883) 3.331 4.009 ( 0.580 -0.747 0.889) 1.298 4.234 ( -2.080 -4.286 -0.512) 4.791 4.461 ( 0.965 2.798 1.734) 3.430 4.507 ( -1.096 -2.208 -2.078) 3.224 4.673 ( 1.258 -1.688 1.103) 2.377 5.315 ( 0.253 0.977 -0.093) 1.013 5.337 ( -0.462 -1.687 0.077) 1.751 5.915 ( -0.256 -1.229 -0.255) 1.281 6.490 ( 0.015 0.142 0.120) 0.187 6.824 ( 0.552 -4.607 0.855) 4.718 7.016 ( -1.354 -2.089 -1.851) 3.102 7.294 ( 2.443 -0.875 3.111) 4.051 7.601 ( -0.177 -18.262 0.146) 18.264 7.643 ( -2.481 -5.326 -3.523) 6.851 9.087 ( -0.720 3.590 -1.041) 3.806 9.271 ( 0.858 -0.537 1.343) 1.682 9.298 ( 0.741 -1.922 1.212) 2.390 9.445 ( 1.119 3.352 1.337) 3.778 9.606 ( 0.481 -9.167 1.771) 9.348 9.823 ( -1.822 6.816 -3.106) 7.709 10.078 ( 1.092 -7.492 1.038) 7.642 10.593 ( -2.178 -3.779 -1.807) 4.721 11.145 ( 2.562 2.477 0.134) 3.566 11.214 ( -0.183 19.390 0.079) 19.391 12.033 ( 0.659 4.007 0.916) 4.163 12.087 ( -0.675 0.911 -0.625) 1.295 13.207 ( -0.155 -5.014 -0.024) 5.017 14.162 ( -0.326 0.026 0.035) 0.329 14.579 ( 0.063 0.893 0.097) 0.900 16.710 ( 0.716 -3.157 0.079) 3.238 16.757 ( -1.250 -7.138 -0.199) 7.249 16.887 ( 0.301 0.961 0.162) 1.020 18.655 ( 0.320 2.314 -0.063) 2.337 18.962 ( -0.126 2.908 0.077) 2.912 19.313 ( -0.509 -12.717 0.114) 12.728 19.375 ( -0.094 -13.816 -0.412) 13.823 19.541 ( -0.491 10.492 -0.127) 10.504 19.802 ( 0.607 8.793 0.298) 8.819 21.585 ( 0.038 0.630 -0.033) 0.632 21.711 ( -0.114 0.780 0.134) 0.799 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 10.609 0.000) 10.609 1.165 ( -0.000 6.837 0.000) 6.837 1.215 ( -0.000 8.920 0.000) 8.920 1.290 ( 0.000 -7.150 -0.000) 7.150 1.438 ( -0.000 2.218 0.000) 2.218 1.497 ( -0.000 2.141 0.000) 2.141 1.563 ( 0.000 -4.301 -0.000) 4.301 1.603 ( 0.000 -5.661 -0.000) 5.661 1.604 ( 0.000 -0.078 -0.000) 0.078 1.676 ( 0.000 -5.348 -0.000) 5.348 1.769 ( -0.000 3.753 0.000) 3.753 1.870 ( -0.000 0.388 0.000) 0.388 1.912 ( 0.000 -1.366 -0.000) 1.366 1.962 ( -0.000 2.203 0.000) 2.203 2.041 ( 0.000 -0.921 -0.000) 0.921 2.181 ( -0.000 0.986 0.000) 0.986 2.245 ( 0.000 -4.754 -0.000) 4.754 2.258 ( 0.000 -2.120 -0.000) 2.120 2.398 ( -0.000 9.670 0.000) 9.670 2.463 ( -0.000 2.015 0.000) 2.015 2.504 ( -0.000 0.104 0.000) 0.104 2.557 ( 0.000 -0.886 -0.000) 0.886 2.641 ( -0.000 1.420 0.000) 1.420 2.750 ( 0.000 -2.221 -0.000) 2.221 2.915 ( 0.000 -2.050 -0.000) 2.050 2.931 ( -0.000 2.833 0.000) 2.833 3.052 ( 0.000 -0.128 -0.000) 0.128 3.090 ( 0.000 -2.635 -0.000) 2.635 3.194 ( -0.000 1.804 0.000) 1.804 3.258 ( -0.000 4.673 0.000) 4.673 3.294 ( -0.000 2.718 0.000) 2.718 3.391 ( 0.000 -2.659 -0.000) 2.659 3.543 ( -0.000 7.887 0.000) 7.887 3.659 ( -0.000 2.078 0.000) 2.078 3.691 ( 0.000 -0.825 -0.000) 0.825 3.752 ( 0.000 -0.020 -0.000) 0.020 3.855 ( -0.000 2.450 0.000) 2.450 3.989 ( 0.000 -1.991 -0.000) 1.991 4.051 ( 0.000 -3.186 -0.000) 3.186 4.311 ( 0.000 -3.871 -0.000) 3.871 4.406 ( -0.000 2.719 0.000) 2.719 4.517 ( -0.000 1.649 0.000) 1.649 4.668 ( -0.000 2.101 0.000) 2.101 5.296 ( -0.000 0.547 0.000) 0.547 5.391 ( 0.000 -3.105 -0.000) 3.105 5.912 ( -0.000 1.622 0.000) 1.622 6.489 ( 0.000 -0.040 -0.000) 0.040 6.843 ( -0.000 2.869 0.000) 2.869 6.997 ( -0.000 2.847 0.000) 2.847 7.245 ( -0.000 6.801 0.000) 6.801 7.623 ( -0.000 7.365 0.000) 7.365 7.830 ( 0.000 -4.746 -0.000) 4.746 8.983 ( -0.000 5.655 0.000) 5.655 9.241 ( -0.000 2.942 0.000) 2.942 9.307 ( -0.000 3.022 0.000) 3.022 9.387 ( -0.000 2.730 0.000) 2.730 9.642 ( -0.000 7.780 0.000) 7.780 9.683 ( -0.000 3.083 0.000) 3.083 10.235 ( 0.000 -6.138 -0.000) 6.138 10.687 ( 0.000 -6.073 -0.000) 6.073 10.966 ( -0.000 2.995 0.000) 2.995 11.188 ( 0.000 -4.976 -0.000) 4.976 11.989 ( -0.000 0.344 0.000) 0.344 12.121 ( 0.000 -3.994 -0.000) 3.994 13.223 ( -0.000 3.315 0.000) 3.315 14.195 ( 0.000 -3.105 -0.000) 3.105 14.569 ( -0.000 0.067 0.000) 0.067 16.685 ( -0.000 5.469 0.000) 5.469 16.815 ( -0.000 0.805 0.000) 0.805 16.878 ( -0.000 0.531 0.000) 0.531 18.647 ( 0.000 -1.462 -0.000) 1.462 18.938 ( 0.000 -0.528 -0.000) 0.528 19.294 ( -0.000 13.916 0.000) 13.916 19.554 ( 0.000 -11.814 -0.000) 11.814 19.574 ( 0.000 -1.889 -0.000) 1.889 19.691 ( 0.000 -1.505 -0.000) 1.505 21.579 ( 0.000 -0.123 -0.000) 0.123 21.722 ( 0.000 -1.845 -0.000) 1.845 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 5.479 0.000 1.144) 5.597 0.750 ( -1.276 -0.000 -0.463) 1.358 0.761 ( 13.890 0.000 6.711) 15.426 0.880 ( 2.014 0.000 3.029) 3.637 1.128 ( 3.964 0.000 6.531) 7.640 1.184 ( 3.381 0.000 3.187) 4.647 1.202 ( -4.069 -0.000 -7.361) 8.411 1.473 ( 0.309 0.000 8.387) 8.393 1.585 ( -1.728 -0.000 -4.719) 5.025 1.616 ( 2.329 0.000 5.370) 5.853 1.738 ( 0.048 0.000 -2.698) 2.698 1.802 ( 1.644 0.000 -10.049) 10.183 1.870 ( 1.197 0.000 -0.063) 1.199 1.929 ( 1.236 0.000 1.480) 1.928 1.993 ( 0.577 0.000 2.131) 2.208 2.138 ( -1.257 -0.000 1.510) 1.965 2.253 ( -5.053 -0.000 -3.565) 6.184 2.293 ( -1.754 -0.000 0.068) 1.755 2.296 ( -1.749 -0.000 -0.528) 1.827 2.354 ( 0.163 0.000 -0.272) 0.317 2.410 ( -3.568 -0.000 0.727) 3.641 2.468 ( 0.664 0.000 1.499) 1.640 2.480 ( -6.155 -0.000 -4.628) 7.701 2.682 ( 0.345 0.000 1.072) 1.126 2.691 ( -2.203 -0.000 -2.682) 3.471 2.818 ( -4.622 -0.000 1.777) 4.952 2.832 ( 1.248 0.000 2.569) 2.856 3.058 ( 2.383 0.000 -0.168) 2.389 3.145 ( 1.715 0.000 -1.801) 2.487 3.179 ( 2.432 0.000 -0.495) 2.482 3.300 ( -2.697 -0.000 0.516) 2.746 3.558 ( 11.297 0.000 0.836) 11.328 3.689 ( 4.239 0.000 0.803) 4.314 3.690 ( -0.014 -0.000 -1.437) 1.438 3.714 ( 4.958 0.000 -4.777) 6.885 3.885 ( 2.751 0.000 1.585) 3.175 3.993 ( -6.620 -0.000 1.265) 6.739 4.070 ( -0.803 -0.000 -2.235) 2.375 4.099 ( 2.046 0.000 3.099) 3.714 4.249 ( 1.021 0.000 0.279) 1.059 4.326 ( -0.319 -0.000 -2.276) 2.298 4.365 ( -1.104 -0.000 -0.759) 1.339 4.791 ( 3.272 0.000 6.595) 7.362 5.218 ( 3.177 0.000 4.766) 5.727 5.399 ( -3.530 -0.000 -3.403) 4.903 5.511 ( -3.367 -0.000 -6.259) 7.107 5.686 ( -3.057 -0.000 -5.354) 6.165 5.785 ( -3.467 -0.000 4.862) 5.971 6.526 ( 5.864 0.000 10.586) 12.102 6.531 ( 1.049 0.000 1.255) 1.636 6.809 ( -4.199 -0.000 -5.239) 6.713 7.160 ( -4.997 -0.000 -6.447) 8.156 8.393 ( -0.363 -0.000 -0.634) 0.731 8.855 ( 0.526 0.000 1.311) 1.413 9.229 ( -0.312 -0.000 -0.398) 0.506 9.378 ( -0.105 -0.000 -0.900) 0.906 9.421 ( 6.242 0.000 6.714) 9.167 9.769 ( -1.803 -0.000 14.564) 14.675 10.258 ( -4.235 -0.000 1.068) 4.368 10.756 ( -8.546 -0.000 -5.423) 10.122 11.778 ( 0.160 0.000 0.155) 0.223 12.048 ( 11.222 0.000 7.998) 13.781 12.306 ( 5.767 0.000 6.020) 8.337 12.562 ( -2.717 -0.000 -6.792) 7.316 12.841 ( 2.562 0.000 -19.945) 20.109 14.313 ( 0.071 0.000 -0.023) 0.075 15.347 ( -12.378 -0.000 8.142) 14.816 15.695 ( 0.421 0.000 1.245) 1.314 15.806 ( -0.493 -0.000 -1.189) 1.287 17.066 ( 1.074 0.000 0.600) 1.231 18.259 ( -0.052 -0.000 0.055) 0.075 18.377 ( 0.093 0.000 -0.041) 0.102 18.930 ( 1.129 0.000 1.345) 1.756 19.230 ( 1.087 0.000 3.874) 4.024 19.908 ( 0.659 0.000 -0.273) 0.713 20.519 ( -5.050 -0.000 6.247) 8.033 21.662 ( 0.662 0.000 -0.359) 0.753 21.927 ( -1.340 -0.000 1.925) 2.346 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 1.593 -17.709 -0.314) 17.783 0.811 ( -0.529 -5.454 0.000) 5.479 0.889 ( 11.331 -3.452 4.798) 12.780 1.048 ( 4.901 -7.841 7.760) 12.072 1.136 ( -5.567 -3.166 -3.993) 7.547 1.246 ( -2.775 -8.485 -5.114) 10.288 1.363 ( 0.171 -10.227 3.336) 10.759 1.505 ( -1.043 -2.354 2.604) 3.662 1.571 ( 2.620 -0.900 4.639) 5.404 1.738 ( 2.262 -5.634 -0.804) 6.124 1.755 ( -0.351 -1.720 -4.173) 4.527 1.827 ( 1.187 -1.129 -4.205) 4.513 1.846 ( 2.438 -1.106 0.485) 2.721 1.934 ( 0.591 -0.124 0.802) 1.004 1.982 ( 1.721 1.272 1.626) 2.688 2.058 ( -0.023 7.021 1.254) 7.132 2.193 ( -4.441 0.394 -2.586) 5.154 2.281 ( -0.214 -0.087 -0.089) 0.247 2.334 ( -1.747 -1.409 -0.769) 2.373 2.405 ( -3.025 0.896 -4.262) 5.303 2.419 ( -3.007 -6.009 0.882) 6.778 2.467 ( -2.123 -7.714 -0.551) 8.019 2.635 ( 0.184 -10.872 -0.165) 10.875 2.649 ( -1.381 2.065 0.748) 2.595 2.698 ( -0.845 -0.021 -0.996) 1.307 2.743 ( -1.781 1.094 2.951) 3.617 2.952 ( 0.687 -8.102 0.482) 8.146 3.063 ( 1.510 0.819 -0.238) 1.734 3.125 ( 2.886 1.673 -0.566) 3.383 3.184 ( 0.274 1.797 0.399) 1.861 3.268 ( -2.986 0.093 -1.259) 3.242 3.607 ( 4.608 5.362 0.396) 7.081 3.638 ( 7.023 1.017 0.294) 7.102 3.709 ( 1.294 0.835 -1.693) 2.289 3.776 ( 2.511 -2.150 0.813) 3.405 3.882 ( 0.599 2.063 -1.199) 2.460 3.932 ( -2.917 0.616 1.485) 3.331 4.024 ( -1.034 2.115 -1.716) 2.913 4.180 ( 1.432 -4.338 1.774) 4.901 4.233 ( -0.643 6.167 -0.597) 6.229 4.263 ( 1.960 2.419 2.830) 4.207 4.362 ( -2.742 -2.396 -1.826) 4.074 4.775 ( 2.354 3.457 3.003) 5.149 5.281 ( 0.093 -0.574 0.877) 1.052 5.340 ( -2.669 1.957 -1.672) 3.707 5.697 ( 1.855 -6.358 2.813) 7.195 5.731 ( -3.636 -23.585 -6.368) 24.698 5.983 ( -4.502 -17.021 -1.077) 17.639 6.531 ( 0.899 0.374 1.219) 1.560 6.668 ( 5.465 -7.635 8.092) 12.395 6.841 ( -1.413 -6.408 -1.752) 6.792 7.169 ( -6.669 -5.113 -8.163) 11.715 8.505 ( -0.159 -11.289 -0.119) 11.290 8.913 ( 0.570 -5.131 1.262) 5.314 9.235 ( -0.273 0.143 -0.161) 0.348 9.395 ( 0.348 -3.010 0.079) 3.031 9.457 ( 5.058 1.375 4.897) 7.173 9.728 ( -0.712 4.008 7.754) 8.758 10.220 ( -2.191 1.540 1.726) 3.187 10.671 ( -6.676 2.186 -5.809) 9.116 11.696 ( 3.309 8.205 1.135) 8.920 12.224 ( 7.357 -2.255 6.804) 10.272 12.334 ( 4.805 1.264 4.620) 6.785 12.467 ( -4.154 0.993 -9.172) 10.117 12.703 ( 1.408 11.165 -8.940) 14.372 14.309 ( -0.208 0.719 -0.049) 0.751 14.982 ( -2.812 18.682 3.690) 19.249 15.845 ( -1.344 -12.741 -0.743) 12.833 16.064 ( -2.546 -17.272 0.770) 17.476 17.047 ( 0.859 2.365 0.403) 2.548 18.428 ( -2.341 -14.190 -0.721) 14.400 18.479 ( -0.571 -10.463 -1.008) 10.527 18.909 ( 0.792 2.851 1.006) 3.125 19.217 ( 0.726 2.439 2.401) 3.499 19.888 ( 0.022 2.294 -0.192) 2.302 20.411 ( -1.857 7.996 3.015) 8.745 21.653 ( 0.432 1.118 -0.231) 1.220 21.893 ( -0.937 2.691 1.225) 3.102 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.565 -4.678 0.564) 4.746 1.036 ( 0.802 -14.315 0.474) 14.346 1.070 ( 6.812 -7.625 1.897) 10.399 1.172 ( -3.983 -5.619 -0.849) 6.940 1.226 ( 5.065 -4.750 6.534) 9.534 1.341 ( -5.833 -3.629 -7.712) 10.328 1.504 ( -0.638 -3.643 1.912) 4.163 1.556 ( 0.170 -0.925 -0.139) 0.951 1.625 ( -0.008 -2.256 0.195) 2.265 1.807 ( 1.542 -2.940 -3.288) 4.672 1.837 ( 0.704 -5.365 0.129) 5.413 1.861 ( 0.844 -0.032 -0.053) 0.846 1.876 ( -1.486 6.427 0.822) 6.647 1.927 ( 0.704 0.935 2.502) 2.762 1.948 ( -0.257 -2.731 -1.042) 2.934 2.012 ( 1.644 -2.858 0.807) 3.395 2.180 ( -1.434 -1.062 -0.470) 1.845 2.313 ( 1.624 -2.686 -1.729) 3.583 2.329 ( -1.668 -1.313 1.398) 2.542 2.407 ( 2.263 0.481 -5.077) 5.580 2.466 ( -6.354 -1.209 2.926) 7.099 2.568 ( 0.271 2.389 0.004) 2.405 2.620 ( -1.042 -6.231 0.216) 6.321 2.702 ( 0.334 -2.605 -0.746) 2.730 2.728 ( -1.245 -1.668 1.457) 2.541 2.896 ( 0.930 -9.963 0.202) 10.009 3.047 ( 0.572 1.139 -0.263) 1.302 3.119 ( 4.264 -4.437 2.430) 6.616 3.148 ( 0.194 -1.567 -1.651) 2.285 3.175 ( 1.106 -4.335 0.887) 4.561 3.231 ( -4.627 1.068 -2.325) 5.287 3.489 ( 1.414 7.332 -0.344) 7.475 3.642 ( 3.112 3.101 -0.940) 4.492 3.685 ( 0.477 1.961 1.598) 2.574 3.814 ( 1.065 -0.090 1.444) 1.797 3.855 ( -0.357 -1.177 -0.038) 1.231 3.939 ( 3.334 0.463 -2.125) 3.980 3.979 ( -3.205 0.513 0.693) 3.319 4.097 ( 0.575 5.654 -1.352) 5.841 4.158 ( -1.828 3.321 1.935) 4.256 4.365 ( 1.879 -7.196 0.638) 7.464 4.396 ( -1.968 -3.214 -0.004) 3.769 4.700 ( 0.797 5.075 0.454) 5.158 5.283 ( 0.699 -0.074 -0.136) 0.716 5.327 ( -1.985 -1.767 -0.457) 2.696 5.800 ( 0.356 -4.381 0.588) 4.434 6.304 ( 1.203 -21.850 -2.928) 22.079 6.349 ( -3.967 -29.066 1.021) 29.353 6.533 ( -0.602 -1.105 -0.901) 1.548 6.868 ( 1.267 -9.117 1.544) 9.333 7.056 ( 7.983 -11.072 10.043) 16.946 7.232 ( -9.978 -8.769 -12.452) 18.208 8.809 ( 0.159 -18.190 0.406) 18.195 9.055 ( 0.714 -8.022 1.406) 8.175 9.198 ( -0.591 2.615 -0.675) 2.765 9.447 ( 2.741 2.542 2.148) 4.311 9.531 ( 0.367 -9.493 0.742) 9.529 9.645 ( 0.223 4.685 3.238) 5.700 10.174 ( -0.904 2.649 0.701) 2.886 10.579 ( -3.463 2.324 -3.772) 5.623 11.502 ( 2.461 12.784 -0.404) 13.025 12.096 ( 2.326 17.034 -1.014) 17.222 12.226 ( 2.588 6.347 2.041) 7.151 12.406 ( 0.293 13.866 -0.498) 13.878 12.721 ( -1.506 -17.077 -1.421) 17.202 14.267 ( -0.553 3.320 0.029) 3.366 14.706 ( -0.324 8.459 0.985) 8.522 16.157 ( -0.608 -18.296 -0.507) 18.313 16.361 ( -1.100 -13.753 0.391) 13.802 16.993 ( 0.419 3.408 0.179) 3.438 18.715 ( 0.376 -14.392 2.543) 14.620 18.740 ( -1.474 -14.599 -5.157) 15.553 18.848 ( -0.688 1.718 1.525) 2.398 19.150 ( 0.203 4.742 1.000) 4.850 19.820 ( -0.472 4.338 -0.092) 4.364 20.218 ( 0.227 10.782 0.792) 10.814 21.628 ( 0.177 1.387 -0.093) 1.402 21.822 ( -0.454 3.852 0.509) 3.912 ======================= Grid point 33 (23/115) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 -5.669 -0.000) 5.669 1.235 ( 0.000 -3.628 -0.000) 3.628 1.252 ( 0.000 -7.685 -0.000) 7.685 1.262 ( 0.000 -2.842 -0.000) 2.842 1.349 ( 0.000 -5.221 -0.000) 5.221 1.368 ( 0.000 -5.706 -0.000) 5.706 1.508 ( -0.000 4.356 0.000) 4.356 1.535 ( 0.000 -0.061 -0.000) 0.061 1.649 ( -0.000 2.038 0.000) 2.038 1.711 ( -0.000 5.751 0.000) 5.751 1.849 ( 0.000 -0.284 -0.000) 0.284 1.863 ( -0.000 0.958 0.000) 0.958 1.880 ( 0.000 -0.049 -0.000) 0.049 1.941 ( 0.000 -3.665 -0.000) 3.665 2.044 ( -0.000 0.368 0.000) 0.368 2.073 ( 0.000 -6.117 -0.000) 6.117 2.197 ( 0.000 -1.066 -0.000) 1.066 2.281 ( -0.000 6.772 0.000) 6.772 2.402 ( 0.000 -4.174 -0.000) 4.174 2.409 ( 0.000 -5.391 -0.000) 5.391 2.512 ( 0.000 -2.355 -0.000) 2.355 2.544 ( 0.000 -0.096 -0.000) 0.096 2.692 ( 0.000 -1.423 -0.000) 1.423 2.732 ( -0.000 0.512 0.000) 0.512 2.798 ( 0.000 -5.270 -0.000) 5.270 3.018 ( 0.000 -1.811 -0.000) 1.811 3.027 ( -0.000 1.235 0.000) 1.235 3.114 ( -0.000 4.728 0.000) 4.728 3.193 ( 0.000 -4.910 -0.000) 4.910 3.274 ( 0.000 -4.440 -0.000) 4.440 3.290 ( 0.000 -2.768 -0.000) 2.768 3.371 ( -0.000 2.663 0.000) 2.663 3.576 ( -0.000 3.003 0.000) 3.003 3.654 ( -0.000 1.551 0.000) 1.551 3.808 ( -0.000 2.139 0.000) 2.139 3.876 ( -0.000 0.214 0.000) 0.214 3.938 ( -0.000 0.676 0.000) 0.676 3.942 ( -0.000 1.344 0.000) 1.344 4.027 ( -0.000 2.101 0.000) 2.101 4.145 ( 0.000 -2.975 -0.000) 2.975 4.433 ( 0.000 -3.200 -0.000) 3.200 4.510 ( 0.000 -2.009 -0.000) 2.009 4.629 ( 0.000 -0.053 -0.000) 0.053 5.302 ( 0.000 -1.316 -0.000) 1.316 5.338 ( -0.000 0.340 0.000) 0.340 5.872 ( 0.000 -2.866 -0.000) 2.866 6.491 ( 0.000 -0.552 -0.000) 0.552 6.658 ( 0.000 -11.831 -0.000) 11.831 6.876 ( 0.000 -14.648 -0.000) 14.648 7.148 ( 0.000 -22.261 -0.000) 22.261 7.257 ( 0.000 -4.530 -0.000) 4.530 7.421 ( 0.000 -14.033 -0.000) 14.033 9.141 ( -0.000 2.531 0.000) 2.531 9.148 ( 0.000 -12.483 -0.000) 12.483 9.232 ( 0.000 -8.432 -0.000) 8.432 9.432 ( 0.000 -2.435 -0.000) 2.435 9.541 ( -0.000 4.973 0.000) 4.973 9.761 ( 0.000 -11.016 -0.000) 11.016 10.085 ( -0.000 5.884 0.000) 5.884 10.541 ( 0.000 -0.317 -0.000) 0.317 11.273 ( -0.000 9.751 0.000) 9.751 11.677 ( -0.000 24.379 0.000) 24.379 12.132 ( -0.000 4.185 0.000) 4.185 12.171 ( -0.000 9.037 0.000) 9.037 13.025 ( 0.000 -12.894 -0.000) 12.894 14.193 ( -0.000 3.124 0.000) 3.124 14.609 ( -0.000 2.445 0.000) 2.445 16.508 ( 0.000 -16.120 -0.000) 16.120 16.589 ( 0.000 -9.340 -0.000) 9.340 16.929 ( -0.000 2.927 0.000) 2.927 18.728 ( -0.000 4.479 0.000) 4.479 19.037 ( 0.000 -9.045 -0.000) 9.045 19.052 ( 0.000 -0.325 -0.000) 0.325 19.065 ( 0.000 -16.392 -0.000) 16.392 19.709 ( -0.000 6.821 0.000) 6.821 20.002 ( -0.000 10.798 0.000) 10.798 21.603 ( -0.000 1.159 0.000) 1.159 21.750 ( -0.000 3.010 0.000) 3.010 ======================= Grid point 41 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 1.521 0.000 0.021) 1.521 0.737 ( -0.511 -0.000 -0.190) 0.546 0.927 ( 2.517 0.000 3.071) 3.971 0.942 ( 10.119 0.000 3.636) 10.752 1.065 ( -6.441 -0.000 -2.860) 7.048 1.130 ( -2.922 -0.000 -4.342) 5.234 1.276 ( 1.895 0.000 5.606) 5.918 1.474 ( -1.446 -0.000 0.349) 1.487 1.604 ( 2.355 0.000 2.705) 3.587 1.656 ( 1.302 0.000 3.130) 3.390 1.725 ( -0.456 -0.000 -2.223) 2.269 1.802 ( 1.806 0.000 -5.899) 6.169 1.883 ( 0.718 0.000 -0.106) 0.726 1.938 ( -0.289 -0.000 0.188) 0.345 2.015 ( 2.201 0.000 2.136) 3.067 2.161 ( 0.789 0.000 -0.192) 0.812 2.162 ( -3.770 -0.000 -1.394) 4.020 2.271 ( -0.972 -0.000 -0.192) 0.991 2.280 ( -0.737 -0.000 0.508) 0.895 2.361 ( 0.482 0.000 0.113) 0.495 2.372 ( -1.553 -0.000 1.006) 1.850 2.394 ( -3.926 -0.000 -3.396) 5.191 2.476 ( 0.030 0.000 0.620) 0.621 2.669 ( -0.430 -0.000 -0.859) 0.961 2.701 ( 1.705 0.000 0.830) 1.897 2.764 ( -3.284 -0.000 -0.066) 3.284 2.846 ( 0.196 0.000 0.839) 0.862 3.081 ( 0.863 0.000 -0.115) 0.870 3.158 ( 0.679 0.000 -0.461) 0.821 3.215 ( 3.103 0.000 -0.658) 3.172 3.260 ( -3.263 -0.000 0.607) 3.319 3.683 ( 4.811 0.000 1.157) 4.948 3.688 ( 0.044 0.000 -0.518) 0.520 3.714 ( 1.728 0.000 -0.943) 1.969 3.788 ( 6.334 0.000 -1.189) 6.445 3.886 ( -6.681 -0.000 -1.596) 6.869 3.923 ( -0.355 -0.000 3.036) 3.057 4.059 ( -0.145 -0.000 -1.130) 1.139 4.128 ( 0.933 0.000 1.316) 1.613 4.258 ( 0.253 0.000 -0.021) 0.254 4.322 ( 0.182 0.000 -0.694) 0.718 4.351 ( -0.517 -0.000 -0.420) 0.666 4.835 ( 0.972 0.000 2.557) 2.735 5.291 ( 4.405 0.000 6.999) 8.270 5.363 ( -0.842 -0.000 -1.331) 1.575 5.415 ( -5.451 -0.000 -9.263) 10.748 5.667 ( -0.030 -0.000 -0.040) 0.050 5.758 ( -1.518 -0.000 1.358) 2.037 6.548 ( 0.641 0.000 0.683) 0.937 6.632 ( 5.451 0.000 8.525) 10.119 6.727 ( -4.992 -0.000 -6.816) 8.448 7.093 ( -2.276 -0.000 -2.702) 3.533 8.388 ( -0.137 -0.000 -0.234) 0.271 8.863 ( 0.217 0.000 0.520) 0.564 9.225 ( -0.130 -0.000 -0.166) 0.210 9.375 ( -0.045 -0.000 -0.360) 0.363 9.511 ( 3.638 0.000 3.489) 5.041 9.765 ( -1.841 -0.000 2.775) 3.331 10.237 ( -0.396 -0.000 2.629) 2.659 10.648 ( -4.103 -0.000 -3.702) 5.526 11.780 ( 0.064 0.000 0.061) 0.088 12.205 ( 6.332 0.000 8.930) 10.947 12.384 ( 4.058 0.000 3.099) 5.106 12.474 ( -5.533 -0.000 -9.820) 11.271 12.830 ( 1.177 0.000 -5.781) 5.900 14.314 ( 0.028 0.000 -0.009) 0.030 15.245 ( -4.518 -0.000 2.120) 4.991 15.703 ( 0.201 0.000 0.575) 0.609 15.798 ( -0.229 -0.000 -0.553) 0.598 17.077 ( 0.380 0.000 0.207) 0.432 18.258 ( -0.019 -0.000 0.022) 0.029 18.378 ( 0.036 0.000 -0.016) 0.039 18.945 ( 0.488 0.000 0.513) 0.708 19.248 ( 0.470 0.000 1.182) 1.272 19.915 ( 0.306 0.000 -0.099) 0.321 20.482 ( -1.921 -0.000 1.805) 2.636 21.667 ( 0.260 0.000 -0.159) 0.304 21.918 ( -0.505 -0.000 0.710) 0.872 ======================= Grid point 42 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 -17.156 -0.000) 17.156 0.806 ( 0.000 -5.827 -0.000) 5.827 1.029 ( 0.000 -1.636 -0.000) 1.636 1.037 ( 0.000 -3.731 -0.000) 3.731 1.126 ( 0.000 -13.077 -0.000) 13.077 1.186 ( 0.000 -4.619 -0.000) 4.619 1.367 ( 0.000 -7.877 -0.000) 7.877 1.495 ( 0.000 -2.722 -0.000) 2.722 1.610 ( 0.000 -0.757 -0.000) 0.757 1.733 ( 0.000 -2.298 -0.000) 2.298 1.760 ( 0.000 -4.450 -0.000) 4.450 1.833 ( 0.000 -2.252 -0.000) 2.252 1.866 ( 0.000 -1.264 -0.000) 1.264 1.932 ( -0.000 0.253 0.000) 0.253 2.006 ( -0.000 1.498 0.000) 1.498 2.070 ( -0.000 7.960 0.000) 7.960 2.149 ( 0.000 -1.140 -0.000) 1.140 2.281 ( 0.000 -0.643 -0.000) 0.643 2.321 ( 0.000 -1.149 -0.000) 1.149 2.381 ( 0.000 -1.773 -0.000) 1.773 2.382 ( 0.000 -3.852 -0.000) 3.852 2.457 ( 0.000 -7.529 -0.000) 7.529 2.636 ( 0.000 -10.320 -0.000) 10.320 2.641 ( -0.000 2.274 0.000) 2.274 2.690 ( -0.000 0.655 0.000) 0.655 2.736 ( 0.000 -0.532 -0.000) 0.532 2.957 ( 0.000 -8.945 -0.000) 8.945 3.073 ( -0.000 1.026 0.000) 1.026 3.149 ( -0.000 0.606 0.000) 0.606 3.187 ( -0.000 3.055 0.000) 3.055 3.240 ( -0.000 0.580 0.000) 0.580 3.630 ( -0.000 5.252 0.000) 5.252 3.707 ( -0.000 1.858 0.000) 1.858 3.711 ( 0.000 -0.145 -0.000) 0.145 3.816 ( -0.000 0.960 0.000) 0.960 3.841 ( 0.000 -0.459 -0.000) 0.459 3.928 ( 0.000 -0.931 -0.000) 0.931 4.013 ( -0.000 3.013 0.000) 3.013 4.194 ( 0.000 -4.993 -0.000) 4.993 4.228 ( -0.000 7.110 0.000) 7.110 4.289 ( -0.000 4.421 0.000) 4.421 4.332 ( 0.000 -4.176 -0.000) 4.176 4.796 ( -0.000 3.866 0.000) 3.866 5.280 ( 0.000 -0.936 -0.000) 0.936 5.321 ( -0.000 3.464 0.000) 3.464 5.696 ( 0.000 -22.627 -0.000) 22.627 5.717 ( 0.000 -8.464 -0.000) 8.464 5.948 ( 0.000 -16.414 -0.000) 16.414 6.539 ( -0.000 0.695 0.000) 0.695 6.733 ( 0.000 -5.239 -0.000) 5.239 6.822 ( 0.000 -12.365 -0.000) 12.365 7.102 ( 0.000 -2.028 -0.000) 2.028 8.504 ( 0.000 -11.425 -0.000) 11.425 8.919 ( 0.000 -5.308 -0.000) 5.308 9.232 ( -0.000 0.251 0.000) 0.251 9.398 ( 0.000 -3.428 -0.000) 3.428 9.507 ( -0.000 1.903 0.000) 1.903 9.728 ( -0.000 3.119 0.000) 3.119 10.214 ( -0.000 1.909 0.000) 1.909 10.610 ( -0.000 1.983 0.000) 1.983 11.720 ( -0.000 7.062 0.000) 7.062 12.348 ( -0.000 2.001 0.000) 2.001 12.348 ( -0.000 8.225 0.000) 8.225 12.387 ( 0.000 -10.744 -0.000) 10.744 12.700 ( -0.000 12.320 0.000) 12.320 14.308 ( -0.000 0.925 0.000) 0.925 14.966 ( -0.000 17.263 0.000) 17.263 15.835 ( 0.000 -12.481 -0.000) 12.481 16.048 ( 0.000 -17.056 -0.000) 17.056 17.054 ( -0.000 2.334 0.000) 2.334 18.411 ( 0.000 -13.808 -0.000) 13.808 18.476 ( 0.000 -9.464 -0.000) 9.464 18.917 ( -0.000 2.930 0.000) 2.930 19.226 ( -0.000 2.542 0.000) 2.542 19.888 ( -0.000 2.624 0.000) 2.624 20.402 ( -0.000 7.121 0.000) 7.121 21.655 ( -0.000 1.148 0.000) 1.148 21.889 ( -0.000 2.693 0.000) 2.693 ======================= Grid point 85 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 1.079 0.000 13.166) 13.210 0.282 ( -5.129 -0.000 14.380) 15.268 0.672 ( 16.446 0.000 33.159) 37.013 0.802 ( -0.320 -0.000 0.258) 0.411 0.858 ( 0.138 0.000 -1.619) 1.625 1.109 ( 0.193 0.000 -12.486) 12.487 1.221 ( -2.181 -0.000 -10.712) 10.932 1.565 ( 2.390 0.000 4.083) 4.731 1.604 ( 0.615 0.000 0.627) 0.878 1.668 ( -2.444 -0.000 -0.969) 2.629 1.708 ( -0.614 -0.000 -1.439) 1.564 1.807 ( -1.645 -0.000 -1.297) 2.094 1.856 ( -1.924 -0.000 -0.912) 2.129 1.957 ( 0.395 0.000 0.238) 0.462 2.058 ( -7.871 -0.000 3.242) 8.513 2.229 ( 2.993 0.000 -2.418) 3.848 2.310 ( 0.469 0.000 0.993) 1.098 2.337 ( 2.181 0.000 -1.165) 2.473 2.381 ( 3.171 0.000 0.585) 3.224 2.406 ( 0.794 0.000 1.841) 2.005 2.439 ( -5.564 -0.000 -0.231) 5.569 2.446 ( -1.161 -0.000 -1.925) 2.248 2.656 ( -0.823 -0.000 -0.033) 0.824 2.672 ( 0.945 0.000 -3.383) 3.513 2.722 ( 8.765 0.000 1.747) 8.938 2.867 ( -0.309 -0.000 -1.939) 1.963 2.934 ( -2.844 -0.000 3.150) 4.244 2.952 ( -11.512 -0.000 -7.242) 13.600 3.072 ( 2.589 0.000 1.482) 2.983 3.112 ( 7.669 0.000 0.016) 7.669 3.193 ( -8.582 -0.000 2.584) 8.963 3.361 ( 1.633 0.000 -3.823) 4.157 3.363 ( -0.248 -0.000 -0.139) 0.285 3.434 ( 3.189 0.000 -0.988) 3.338 3.687 ( -1.016 -0.000 -1.925) 2.177 3.839 ( 0.267 0.000 2.101) 2.118 4.064 ( -0.467 -0.000 -2.349) 2.395 4.065 ( 1.414 0.000 3.989) 4.232 4.152 ( 0.549 0.000 1.292) 1.404 4.202 ( 0.574 0.000 0.711) 0.914 4.376 ( -2.797 -0.000 -2.062) 3.475 4.578 ( -7.886 -0.000 3.488) 8.623 4.665 ( 2.910 0.000 3.273) 4.380 5.163 ( 1.028 0.000 1.454) 1.781 5.526 ( 6.835 0.000 -4.717) 8.304 5.532 ( 0.618 0.000 2.156) 2.243 5.762 ( 18.421 0.000 5.924) 19.350 5.807 ( -7.295 -0.000 -15.279) 16.931 6.406 ( 6.354 0.000 13.443) 14.869 6.515 ( 0.317 0.000 0.756) 0.820 6.887 ( -1.525 -0.000 -3.788) 4.084 7.230 ( -2.759 -0.000 -6.624) 7.176 8.399 ( -0.350 -0.000 -1.012) 1.071 8.848 ( 0.683 0.000 1.713) 1.844 9.237 ( -0.212 -0.000 -0.409) 0.461 9.303 ( 2.886 0.000 7.762) 8.281 9.379 ( -0.564 -0.000 -0.805) 0.983 10.335 ( 25.153 0.000 -4.452) 25.544 10.461 ( 20.116 0.000 -2.781) 20.307 11.051 ( 6.852 0.000 5.553) 8.819 11.627 ( -11.557 -0.000 -5.481) 12.790 11.736 ( -31.025 -0.000 -1.186) 31.048 11.774 ( 0.076 0.000 0.240) 0.252 12.392 ( -0.878 -0.000 3.743) 3.844 12.570 ( 0.959 0.000 0.781) 1.237 14.311 ( -0.014 -0.000 -0.026) 0.030 15.538 ( 35.745 0.000 -0.577) 35.750 15.687 ( 0.650 0.000 1.041) 1.227 15.817 ( -0.605 -0.000 -1.030) 1.195 17.026 ( 0.003 0.000 1.139) 1.139 18.261 ( 0.035 0.000 0.038) 0.051 18.374 ( -0.024 -0.000 -0.035) 0.043 18.888 ( -0.520 -0.000 0.093) 0.529 19.638 ( -6.845 -0.000 -0.278) 6.850 19.875 ( 0.120 0.000 -1.602) 1.606 20.451 ( 27.518 0.000 -0.061) 27.518 21.639 ( -0.128 -0.000 -0.203) 0.240 22.459 ( -0.795 -0.000 0.669) 1.039 ======================= Grid point 86 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 7.979 -8.939 7.771) 14.281 0.616 ( 2.446 -17.526 9.452) 20.062 0.814 ( 2.818 -5.906 6.408) 9.159 0.983 ( 5.370 -8.375 11.178) 14.965 1.094 ( 3.026 -4.063 -9.929) 11.146 1.175 ( -0.668 -17.182 -5.548) 18.067 1.326 ( -2.154 -9.765 -9.505) 13.797 1.577 ( -0.705 0.461 -2.232) 2.385 1.646 ( -3.245 -0.155 1.677) 3.656 1.677 ( 1.351 -6.182 3.360) 7.165 1.767 ( -1.415 -0.529 -1.033) 1.830 1.779 ( 0.177 1.217 0.415) 1.298 1.804 ( -2.727 -1.999 -2.994) 4.516 1.943 ( 1.012 1.960 0.311) 2.228 1.948 ( -3.356 2.783 5.142) 6.741 2.175 ( 0.125 6.882 -1.257) 6.997 2.210 ( -0.376 3.558 -0.841) 3.676 2.305 ( 0.410 1.797 -1.998) 2.719 2.393 ( -0.173 0.452 -2.703) 2.746 2.494 ( 1.894 -1.053 0.320) 2.191 2.538 ( -4.109 -10.857 0.853) 11.640 2.596 ( -1.083 -4.890 -0.981) 5.104 2.625 ( -0.956 -6.374 -0.421) 6.459 2.715 ( -1.115 -3.244 -0.091) 3.432 2.799 ( -2.173 -0.663 -1.427) 2.682 2.882 ( 1.182 0.083 0.376) 1.244 2.925 ( -0.516 -4.315 -3.312) 5.464 2.971 ( 0.661 -1.517 -0.942) 1.904 3.060 ( 0.198 2.580 1.806) 3.155 3.099 ( 0.512 4.150 -0.295) 4.192 3.188 ( 5.041 -2.096 -0.778) 5.515 3.330 ( -0.236 0.603 -2.213) 2.305 3.380 ( 4.584 1.580 -1.298) 5.019 3.492 ( 2.210 -2.254 -3.116) 4.436 3.733 ( 0.270 -3.391 -0.913) 3.522 3.840 ( -0.305 -0.281 0.812) 0.912 4.015 ( -0.013 6.638 4.014) 7.757 4.048 ( -0.434 1.176 -2.204) 2.536 4.151 ( 1.720 -4.361 3.994) 6.159 4.231 ( 0.125 -0.987 2.180) 2.396 4.324 ( -1.763 3.802 3.474) 5.444 4.478 ( -2.596 1.536 -0.986) 3.173 4.645 ( 4.237 1.813 2.284) 5.143 5.289 ( 0.138 -0.235 2.081) 2.099 5.489 ( -2.809 2.584 -3.693) 5.311 5.651 ( 2.212 -6.441 4.468) 8.145 5.873 ( -8.014 -22.925 -18.509) 30.534 6.157 ( 2.020 -18.862 -7.814) 20.516 6.501 ( 0.875 -0.569 2.185) 2.422 6.606 ( 1.641 -10.536 7.001) 12.756 6.879 ( -0.584 -1.369 -1.655) 2.226 7.290 ( -2.887 -7.878 -9.727) 12.845 8.512 ( -0.034 -11.174 -0.247) 11.177 8.900 ( 0.985 -4.139 2.448) 4.908 9.235 ( 0.833 0.087 1.207) 1.469 9.343 ( 1.796 -0.980 4.950) 5.356 9.393 ( 0.083 -1.668 0.498) 1.743 10.019 ( 8.140 25.784 21.466) 34.523 10.373 ( -2.853 2.540 -5.867) 7.001 11.025 ( -3.179 5.616 2.034) 6.767 11.347 ( -10.076 6.176 -2.285) 12.037 11.743 ( 18.989 7.067 -1.055) 20.289 12.099 ( -0.601 -10.637 -1.615) 10.775 12.455 ( -0.979 -8.879 -4.329) 9.926 12.522 ( 2.546 4.471 -0.218) 5.150 14.317 ( -0.091 -0.451 0.006) 0.460 15.078 ( 6.239 23.437 8.965) 25.857 15.911 ( -2.312 -13.061 -2.904) 13.578 16.192 ( 2.660 -14.881 -7.481) 16.867 17.009 ( 0.429 1.951 1.070) 2.266 18.457 ( 0.277 -8.116 -0.173) 8.123 18.597 ( -4.872 -20.576 -13.913) 25.311 18.870 ( 1.722 1.682 0.059) 2.408 19.508 ( -9.419 5.288 4.397) 11.662 19.872 ( 0.073 0.218 -1.526) 1.543 20.393 ( 13.379 15.839 1.324) 20.775 21.630 ( 0.131 0.833 -0.205) 0.868 22.169 ( -6.199 13.579 12.930) 19.749 ======================= Grid point 87 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 8.355 -10.607 4.875) 14.356 0.916 ( 5.488 -8.441 11.379) 15.194 1.009 ( 0.011 -11.642 0.906) 11.678 1.069 ( 1.570 -2.477 -5.436) 6.177 1.248 ( -1.857 -8.922 -6.406) 11.140 1.452 ( -2.966 -4.944 -7.091) 9.139 1.508 ( 2.925 -4.919 -1.833) 6.010 1.577 ( 0.629 -5.001 -0.964) 5.132 1.658 ( -1.368 -3.326 2.714) 4.506 1.698 ( -0.780 2.209 -0.336) 2.367 1.728 ( 0.310 0.272 -0.707) 0.818 1.818 ( 0.726 -3.664 2.884) 4.720 1.864 ( 0.440 2.568 -0.730) 2.706 1.926 ( -1.063 -1.740 1.353) 2.447 1.964 ( 1.036 -5.362 2.658) 6.074 2.041 ( -2.674 3.585 -0.642) 4.519 2.167 ( 2.727 1.138 -2.184) 3.674 2.290 ( -1.337 -0.714 -1.354) 2.033 2.396 ( -2.418 -1.102 -2.619) 3.731 2.464 ( 0.092 1.324 0.672) 1.487 2.530 ( 1.410 4.166 -2.173) 4.906 2.689 ( -0.765 4.628 -1.146) 4.829 2.740 ( -2.280 -6.701 1.417) 7.219 2.775 ( -2.279 1.317 -0.564) 2.692 2.843 ( -7.026 -4.788 -0.496) 8.517 2.872 ( 0.214 -5.158 1.923) 5.509 2.991 ( -0.235 0.425 -1.215) 1.309 3.013 ( 0.130 -4.434 0.023) 4.436 3.051 ( 3.011 -5.005 2.549) 6.373 3.121 ( 9.765 0.496 -0.195) 9.780 3.224 ( 0.657 0.801 1.626) 1.928 3.347 ( 0.220 -3.153 -5.266) 6.141 3.376 ( 4.784 0.214 -0.080) 4.789 3.526 ( 2.628 -0.131 -3.233) 4.168 3.765 ( 1.553 0.352 1.066) 1.917 3.865 ( -0.439 -1.650 0.722) 1.854 3.918 ( -0.076 3.748 2.346) 4.422 4.025 ( -0.152 0.461 -0.390) 0.623 4.150 ( -2.597 4.037 -0.257) 4.807 4.286 ( -1.256 -0.488 3.961) 4.184 4.324 ( 0.422 -7.076 2.554) 7.534 4.469 ( -0.235 -1.308 -0.925) 1.619 4.611 ( 2.298 3.979 -1.194) 4.747 5.274 ( -0.249 0.506 0.020) 0.564 5.443 ( -2.186 0.302 -1.702) 2.787 5.782 ( 1.279 -5.414 2.259) 6.004 6.328 ( -4.544 -23.567 -5.627) 24.652 6.487 ( -0.937 -5.221 -1.415) 5.490 6.563 ( -0.057 -18.393 -7.207) 19.755 6.866 ( -1.888 -13.396 4.467) 14.246 6.948 ( 1.965 -5.592 3.791) 7.036 7.427 ( -4.644 -9.573 -12.940) 16.752 8.810 ( 0.448 -17.353 1.542) 17.427 9.019 ( 2.710 -5.594 5.566) 8.344 9.237 ( -1.195 -0.650 -2.155) 2.549 9.354 ( 1.134 1.539 3.084) 3.629 9.498 ( 2.253 -8.049 4.661) 9.570 9.742 ( 3.541 11.163 16.834) 20.507 10.284 ( -3.847 3.693 -5.684) 7.794 10.844 ( -9.750 6.065 -5.169) 12.593 11.175 ( 3.002 9.096 -1.290) 9.665 11.665 ( 16.190 12.800 0.078) 20.638 12.141 ( 0.798 2.694 4.979) 5.717 12.378 ( 0.692 8.154 -1.300) 8.286 12.757 ( -1.133 -17.096 -5.111) 17.879 14.313 ( -0.706 1.102 0.086) 1.312 14.767 ( 0.367 11.690 3.999) 12.361 16.203 ( -1.871 -16.903 -0.986) 17.035 16.445 ( -0.566 -12.080 -3.725) 12.654 16.963 ( 0.612 2.974 0.774) 3.133 18.659 ( 0.947 -8.506 -2.515) 8.920 18.778 ( -3.035 -5.613 -0.723) 6.422 18.923 ( 0.563 -6.596 -4.711) 8.125 19.359 ( -7.870 3.712 2.379) 9.021 19.851 ( -0.693 1.970 -1.103) 2.362 20.141 ( 6.030 15.103 1.129) 16.301 21.610 ( 0.246 1.169 -0.186) 1.209 21.959 ( -2.982 7.406 7.644) 11.053 ======================= Grid point 88 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 6.202 -8.957 3.004) 11.301 1.105 ( 1.057 -7.575 1.551) 7.804 1.122 ( 5.329 -2.463 0.844) 5.931 1.228 ( 1.357 -7.303 2.226) 7.754 1.392 ( -2.310 -7.427 -6.122) 9.898 1.435 ( -2.652 1.214 -5.732) 6.432 1.492 ( -0.873 1.851 -3.200) 3.798 1.603 ( -1.858 0.763 1.407) 2.452 1.659 ( -1.481 3.010 -0.467) 3.387 1.730 ( 1.923 -2.942 -1.418) 3.790 1.763 ( 3.374 -0.645 -0.615) 3.490 1.806 ( -0.343 2.161 -1.345) 2.568 1.856 ( -0.294 -0.111 0.622) 0.697 1.965 ( -0.920 -0.861 1.111) 1.680 2.027 ( -0.502 -3.461 -0.560) 3.542 2.061 ( 0.216 -0.043 -2.157) 2.168 2.221 ( 1.329 -3.762 -0.289) 4.001 2.306 ( -1.237 -1.343 -1.605) 2.431 2.378 ( 2.090 1.336 0.145) 2.485 2.442 ( 1.261 2.755 -2.177) 3.731 2.481 ( -2.173 -1.305 -0.304) 2.553 2.600 ( 2.313 1.415 0.555) 2.768 2.706 ( -2.207 2.788 3.452) 4.956 2.800 ( -1.855 -0.976 1.125) 2.379 2.881 ( -0.931 -3.471 -0.338) 3.609 2.973 ( 2.787 0.553 1.726) 3.325 3.011 ( -2.607 -3.864 1.035) 4.775 3.074 ( 1.716 0.939 -0.930) 2.166 3.122 ( -1.313 -2.385 0.990) 2.897 3.210 ( -0.282 -2.505 -1.145) 2.769 3.241 ( 4.332 -6.436 2.219) 8.069 3.377 ( 0.358 0.562 -2.077) 2.181 3.461 ( 4.624 -3.094 -1.871) 5.870 3.536 ( 2.047 -0.256 -2.608) 3.325 3.763 ( 1.943 1.921 2.549) 3.736 3.873 ( -0.432 1.088 -2.008) 2.324 3.881 ( 0.274 -0.900 2.266) 2.453 4.014 ( -1.508 1.743 1.220) 2.608 4.067 ( -0.998 1.070 1.161) 1.867 4.297 ( -2.914 -1.386 -0.345) 3.246 4.438 ( 0.738 -2.222 2.854) 3.691 4.530 ( -1.555 -3.628 -2.567) 4.709 4.540 ( 3.148 1.767 -0.352) 3.627 5.274 ( 0.065 -0.442 -0.853) 0.963 5.414 ( -1.823 1.532 -0.821) 2.519 5.880 ( 0.131 -3.586 0.740) 3.663 6.498 ( -0.141 0.283 0.139) 0.345 6.646 ( -0.569 -12.139 -0.577) 12.166 7.003 ( -3.096 -7.604 -1.993) 8.449 7.060 ( 3.050 -19.079 1.593) 19.387 7.204 ( 0.135 -16.499 3.631) 16.894 7.556 ( -5.359 -8.784 -12.245) 15.995 9.114 ( 2.528 -8.237 4.042) 9.517 9.134 ( 1.189 -2.581 3.156) 4.247 9.289 ( -1.375 -4.174 -1.305) 4.584 9.363 ( 0.563 -6.461 3.235) 7.247 9.606 ( 1.605 6.418 9.674) 11.720 9.723 ( 2.037 -10.468 3.534) 11.235 10.142 ( -3.859 6.947 -6.240) 10.104 10.689 ( -6.964 2.279 -5.493) 9.157 11.046 ( 4.863 5.495 0.204) 7.340 11.456 ( 10.132 17.019 -0.109) 19.807 12.086 ( 1.002 3.522 3.898) 5.348 12.216 ( -0.684 7.385 -1.479) 7.563 13.044 ( -0.859 -12.325 -2.012) 12.518 14.255 ( -1.663 3.530 0.221) 3.909 14.622 ( -0.069 3.950 1.403) 4.193 16.509 ( -0.552 -13.709 0.588) 13.732 16.653 ( -1.507 -9.728 -2.581) 10.177 16.910 ( 0.628 2.679 0.437) 2.786 18.671 ( 0.693 2.553 -1.547) 3.064 18.995 ( 0.342 -2.357 -2.042) 3.137 19.028 ( 1.252 -12.989 2.962) 13.381 19.301 ( -7.487 -4.204 -2.207) 8.866 19.761 ( -1.750 6.679 -0.370) 6.915 19.908 ( 4.362 11.510 -0.949) 12.345 21.590 ( 0.240 0.915 -0.173) 0.961 21.831 ( -1.890 4.888 4.388) 6.835 ======================= Grid point 89 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 2.995 -6.738 0.098) 7.374 1.187 ( 3.466 -2.457 -2.863) 5.123 1.228 ( -0.777 5.489 0.428) 5.560 1.308 ( 2.436 -7.548 1.544) 8.080 1.379 ( -2.641 3.498 -1.572) 4.656 1.444 ( 2.065 -1.871 -1.223) 3.043 1.543 ( -1.627 -0.525 -0.814) 1.893 1.572 ( -3.261 -1.365 -2.627) 4.404 1.588 ( -0.215 -0.462 -0.333) 0.609 1.710 ( -1.991 3.911 -0.332) 4.401 1.783 ( 2.200 0.373 -0.876) 2.397 1.814 ( 3.309 -0.943 -2.496) 4.251 1.881 ( 1.221 -1.842 2.463) 3.309 1.972 ( -0.492 0.003 -0.333) 0.594 2.010 ( -3.312 0.604 -1.821) 3.827 2.080 ( 1.381 -0.208 -0.124) 1.402 2.224 ( -0.039 1.381 -1.991) 2.423 2.272 ( -0.970 -0.818 -6.444) 6.567 2.430 ( 1.473 -0.567 -4.092) 4.385 2.462 ( 4.355 -1.593 -0.375) 4.653 2.493 ( -1.082 -1.343 0.788) 1.896 2.619 ( -0.426 0.455 3.740) 3.791 2.650 ( 0.116 2.445 2.706) 3.649 2.791 ( -1.188 0.279 2.548) 2.825 2.937 ( 0.164 -1.070 0.961) 1.448 2.975 ( 2.883 0.282 1.200) 3.136 3.016 ( -3.851 1.027 1.873) 4.404 3.050 ( -1.750 -0.558 0.102) 1.840 3.175 ( 1.225 -2.514 -0.494) 2.840 3.281 ( -1.108 -3.495 2.143) 4.246 3.314 ( -0.598 3.525 -1.366) 3.827 3.417 ( 5.090 -5.628 -0.017) 7.588 3.528 ( -2.633 1.278 -1.688) 3.378 3.544 ( 3.885 -3.064 -1.213) 5.095 3.756 ( 2.248 -0.384 2.052) 3.068 3.825 ( -0.171 3.345 -0.280) 3.361 3.920 ( -0.377 -1.591 1.912) 2.516 3.954 ( -1.003 2.062 -2.945) 3.733 4.068 ( -1.908 -0.117 3.768) 4.225 4.299 ( -2.645 -0.932 -2.484) 3.746 4.426 ( 1.944 3.139 -0.010) 3.692 4.521 ( -2.272 -1.868 -2.113) 3.622 4.631 ( 2.715 -2.182 1.240) 3.698 5.291 ( 0.750 -1.114 -0.814) 1.571 5.361 ( -1.123 2.038 -0.583) 2.400 5.929 ( -0.342 -1.334 0.486) 1.460 6.489 ( 0.013 0.431 -0.159) 0.459 6.818 ( 0.583 -4.937 0.849) 5.044 7.044 ( -2.030 -0.462 -1.841) 2.779 7.286 ( 2.359 -2.197 6.517) 7.271 7.598 ( -0.225 -18.104 -1.745) 18.190 7.648 ( -2.361 -3.636 -6.178) 7.547 9.105 ( -1.292 3.160 -0.818) 3.511 9.259 ( 2.450 -2.767 3.984) 5.434 9.304 ( 0.472 -0.585 1.338) 1.535 9.462 ( -0.350 4.504 3.791) 5.897 9.634 ( 0.851 -7.879 4.202) 8.970 9.834 ( -2.515 3.815 -3.835) 5.965 10.046 ( 0.722 -3.980 -1.205) 4.221 10.649 ( -3.694 -2.207 -3.152) 5.334 11.048 ( 4.019 -2.052 2.163) 5.004 11.177 ( 2.812 12.775 -0.735) 13.101 12.033 ( 0.558 3.156 1.624) 3.593 12.101 ( -0.836 2.389 -0.831) 2.664 13.207 ( -0.236 -4.426 -0.756) 4.496 14.184 ( -0.942 2.003 0.101) 2.215 14.582 ( 0.020 0.939 0.432) 1.034 16.700 ( 0.086 -4.762 0.887) 4.845 16.786 ( -1.043 -4.544 -1.707) 4.965 16.874 ( 0.551 1.287 0.094) 1.403 18.635 ( 0.549 0.913 -0.293) 1.105 18.961 ( 0.198 2.389 -0.326) 2.420 19.327 ( 0.583 -13.560 0.856) 13.599 19.400 ( -2.933 -8.072 -1.215) 8.674 19.568 ( -1.177 10.923 -0.179) 10.987 19.740 ( 2.496 7.711 -2.279) 8.419 21.579 ( 0.121 0.268 -0.171) 0.340 21.756 ( -1.093 2.144 3.047) 3.882 ======================= Grid point 90 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -3.003 8.432 0.260) 8.954 1.172 ( -0.356 4.571 -3.574) 5.814 1.244 ( -1.983 6.030 0.315) 6.355 1.278 ( 2.010 -5.388 2.311) 6.198 1.366 ( 0.366 3.031 -5.284) 6.103 1.489 ( 2.335 0.461 -0.001) 2.380 1.525 ( 1.897 -2.705 0.642) 3.365 1.608 ( -2.393 -3.544 0.339) 4.290 1.636 ( -0.900 -0.520 0.250) 1.069 1.670 ( -0.425 -3.271 -1.626) 3.678 1.762 ( 1.170 2.540 -1.615) 3.230 1.833 ( 1.435 0.330 -2.200) 2.647 1.933 ( 1.271 -2.338 1.196) 2.918 1.949 ( 0.441 1.357 -0.243) 1.447 2.016 ( -0.791 -1.624 -0.172) 1.815 2.098 ( 0.461 -1.690 0.015) 1.752 2.233 ( 1.571 -1.620 -1.706) 2.829 2.266 ( -0.123 2.495 -5.190) 5.760 2.386 ( -2.146 3.416 -6.878) 7.973 2.481 ( 0.839 1.389 -0.494) 1.696 2.530 ( -0.957 -1.850 3.515) 4.086 2.555 ( 1.030 2.554 -0.592) 2.817 2.642 ( -0.152 0.446 4.080) 4.107 2.797 ( -0.023 -1.071 2.534) 2.751 2.933 ( 1.329 1.869 1.168) 2.573 2.968 ( -2.995 -0.086 -0.343) 3.016 2.987 ( -0.963 0.430 2.504) 2.717 3.085 ( 0.358 -2.779 -0.047) 2.802 3.204 ( 1.471 1.901 0.285) 2.420 3.230 ( 0.688 2.813 1.100) 3.098 3.328 ( -4.189 -1.096 -0.296) 4.340 3.469 ( -1.603 2.128 2.375) 3.569 3.514 ( 3.895 -1.512 -2.866) 5.067 3.590 ( -0.621 1.278 -1.655) 2.181 3.746 ( -0.225 4.585 1.889) 4.964 3.803 ( -1.884 -3.128 -0.677) 3.714 3.900 ( -0.725 1.031 1.780) 2.181 3.954 ( -0.210 -1.436 -1.251) 1.916 4.068 ( -0.283 -1.400 2.603) 2.969 4.292 ( 0.307 0.342 -2.329) 2.374 4.384 ( 0.233 1.652 -1.371) 2.159 4.527 ( -1.234 0.422 -1.257) 1.811 4.645 ( 1.974 2.268 0.764) 3.102 5.299 ( -0.354 0.550 -0.515) 0.832 5.359 ( 1.516 -2.044 -0.665) 2.630 5.926 ( -0.431 1.589 0.686) 1.783 6.483 ( 0.356 0.304 -0.244) 0.528 6.843 ( 0.065 2.796 0.214) 2.805 7.003 ( -0.414 3.165 -0.276) 3.204 7.255 ( 0.379 6.784 2.976) 7.418 7.576 ( 1.196 10.111 -2.742) 10.545 7.838 ( -0.037 -5.316 -0.591) 5.349 9.002 ( -1.330 5.395 -0.130) 5.559 9.261 ( -0.767 3.074 0.388) 3.192 9.317 ( 0.525 1.645 2.998) 3.460 9.383 ( 0.866 3.016 1.324) 3.406 9.635 ( 1.643 7.249 3.412) 8.179 9.720 ( -3.511 4.718 -3.630) 6.911 10.172 ( 3.586 -4.726 -0.142) 5.934 10.691 ( -0.812 -3.748 -1.909) 4.284 11.041 ( -4.063 -3.554 1.826) 5.698 11.209 ( -1.166 -9.183 0.065) 9.257 11.992 ( 0.164 0.383 0.458) 0.619 12.117 ( 0.132 -3.638 -0.154) 3.643 13.209 ( 0.555 4.201 -0.729) 4.300 14.180 ( 0.907 -1.654 0.023) 1.887 14.573 ( -0.152 0.004 0.247) 0.290 16.694 ( -0.441 5.025 0.510) 5.070 16.798 ( 1.346 3.859 -1.080) 4.228 16.868 ( -0.031 -0.726 -0.184) 0.750 18.650 ( -0.225 -2.230 -0.009) 2.242 18.941 ( -0.332 -0.679 -0.694) 1.027 19.312 ( -0.751 13.527 0.346) 13.552 19.463 ( 4.147 3.793 0.762) 5.671 19.580 ( 0.778 -9.938 -0.014) 9.968 19.696 ( -1.863 -5.718 -3.621) 7.019 21.580 ( -0.141 -0.387 -0.146) 0.437 21.746 ( -0.086 -1.191 2.871) 3.110 ======================= Grid point 91 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -5.643 9.781 1.830) 11.439 0.966 ( -0.671 13.511 2.500) 13.757 1.102 ( -0.478 6.147 1.267) 6.294 1.293 ( -2.374 3.221 -9.597) 10.398 1.400 ( 3.133 -2.280 2.409) 4.562 1.492 ( 1.663 1.774 -1.728) 2.983 1.537 ( 1.532 1.860 -1.564) 2.873 1.611 ( 1.714 0.057 1.634) 2.369 1.650 ( -0.549 2.372 -3.894) 4.593 1.746 ( -1.326 -4.763 0.864) 5.019 1.751 ( -2.234 -1.349 -1.393) 2.958 1.830 ( 1.384 -0.114 -0.705) 1.558 1.928 ( 0.324 1.119 0.427) 1.241 1.976 ( 1.382 1.727 -0.972) 2.416 2.026 ( -1.969 -0.785 1.202) 2.437 2.093 ( 0.979 9.044 4.303) 10.063 2.141 ( -1.576 0.813 -6.100) 6.353 2.288 ( 2.299 -2.101 -0.761) 3.206 2.333 ( -0.777 -1.503 -2.027) 2.641 2.452 ( 0.190 1.286 -1.846) 2.258 2.508 ( 0.608 0.182 -0.478) 0.795 2.591 ( -3.249 -1.942 -2.174) 4.365 2.661 ( 1.471 -3.625 4.262) 5.785 2.834 ( 2.685 -0.434 2.897) 3.974 2.892 ( -0.050 2.211 0.033) 2.212 2.952 ( -1.483 0.532 -0.771) 1.754 2.994 ( -0.555 -0.691 2.433) 2.589 3.101 ( 0.207 3.780 -2.932) 4.788 3.152 ( -0.224 2.434 2.015) 3.168 3.181 ( 0.143 2.255 1.959) 2.990 3.277 ( -2.338 3.203 1.855) 4.378 3.422 ( -3.658 4.028 -1.002) 5.533 3.487 ( -5.895 1.971 -3.628) 7.197 3.538 ( 0.249 0.760 -2.321) 2.455 3.669 ( 2.142 2.252 0.567) 3.159 3.836 ( -1.895 -1.948 1.079) 2.924 3.890 ( -1.384 -0.238 3.830) 4.079 4.006 ( 0.729 -2.650 -1.884) 3.332 4.140 ( 0.824 -4.865 1.813) 5.257 4.281 ( 4.111 2.109 -0.490) 4.646 4.348 ( 0.414 2.436 -0.105) 2.473 4.472 ( -1.946 3.982 -0.971) 4.537 4.610 ( 1.040 0.941 -0.998) 1.722 5.287 ( -0.165 0.517 -0.383) 0.664 5.415 ( 1.998 -1.924 -0.915) 2.920 5.857 ( -0.353 5.150 0.980) 5.254 6.478 ( 0.893 0.662 -0.049) 1.113 6.718 ( -0.297 9.279 -0.740) 9.313 6.925 ( 0.502 5.297 1.591) 5.553 7.036 ( -0.206 14.809 0.246) 14.812 7.264 ( 4.110 21.273 -3.389) 21.930 7.814 ( -2.357 5.843 -3.964) 7.444 8.917 ( 0.459 2.529 3.142) 4.059 9.097 ( -0.254 13.349 0.748) 13.372 9.266 ( -0.625 2.617 2.270) 3.520 9.352 ( 1.512 2.410 4.931) 5.693 9.500 ( -1.589 7.074 -2.476) 7.661 9.574 ( 1.392 5.780 2.741) 6.547 10.271 ( 3.450 -3.677 -3.030) 5.883 10.777 ( 1.728 -4.408 -1.663) 5.018 11.199 ( -4.460 -12.003 5.493) 13.933 11.388 ( -11.625 -13.587 -4.441) 18.425 12.031 ( 0.628 -3.457 2.700) 4.431 12.226 ( -0.026 -6.960 -0.737) 6.999 13.055 ( 1.342 11.327 -1.865) 11.558 14.249 ( 1.802 -3.616 0.121) 4.042 14.588 ( 0.340 -1.909 0.722) 2.069 16.518 ( -0.322 11.877 0.966) 11.921 16.650 ( 2.992 11.541 -2.795) 12.245 16.903 ( -0.410 -2.675 0.230) 2.716 18.705 ( -0.806 -3.071 -1.186) 3.389 18.950 ( 0.022 3.375 0.100) 3.376 19.045 ( -1.453 8.870 0.277) 8.993 19.377 ( 8.791 6.901 -0.591) 11.192 19.762 ( 1.496 -6.965 -0.364) 7.133 19.838 ( -3.837 -9.580 -2.133) 10.538 21.592 ( -0.324 -0.983 -0.117) 1.041 21.808 ( 0.736 -4.186 3.989) 5.829 ======================= Grid point 92 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -8.036 10.056 4.416) 13.609 0.694 ( 2.112 14.093 10.153) 17.498 0.990 ( 1.059 6.099 0.799) 6.241 1.172 ( -3.409 6.609 -9.006) 11.680 1.271 ( 1.776 15.003 -3.558) 15.521 1.457 ( 0.271 7.883 -5.298) 9.501 1.472 ( 3.535 2.787 1.409) 4.717 1.579 ( 1.148 2.999 -2.814) 4.270 1.672 ( 1.409 -3.611 1.235) 4.068 1.723 ( -2.756 1.578 0.906) 3.302 1.784 ( -2.103 -0.248 -0.248) 2.132 1.808 ( -1.244 7.497 3.738) 8.469 1.877 ( -0.032 -2.966 -1.466) 3.309 1.925 ( -0.715 1.106 1.581) 2.058 2.006 ( -1.584 4.914 3.578) 6.282 2.033 ( 1.934 -3.258 -2.438) 4.505 2.145 ( 0.606 -3.152 -3.971) 5.106 2.312 ( 0.332 0.309 -1.137) 1.224 2.397 ( 1.459 -1.300 -0.767) 2.099 2.427 ( -0.222 -1.079 0.299) 1.142 2.541 ( -1.445 -3.703 -0.673) 4.031 2.665 ( 4.650 -3.655 -1.078) 6.012 2.742 ( 1.031 0.447 -0.012) 1.123 2.815 ( 2.247 2.950 1.518) 4.007 2.873 ( 2.953 1.502 1.108) 3.493 2.897 ( 0.966 7.219 0.273) 7.288 2.930 ( -2.920 2.298 -0.441) 3.741 3.015 ( -3.263 3.252 -0.102) 4.608 3.093 ( -3.898 4.149 1.283) 5.835 3.140 ( -4.087 0.863 -0.109) 4.178 3.175 ( 0.218 1.850 0.422) 1.910 3.345 ( -3.784 -1.674 -0.326) 4.150 3.434 ( -4.015 0.896 -7.330) 8.406 3.518 ( 0.018 1.050 -1.666) 1.969 3.688 ( 2.812 -1.281 1.879) 3.616 3.862 ( -1.297 -1.381 4.954) 5.304 3.910 ( 0.014 -1.465 0.860) 1.699 4.041 ( -0.273 -1.370 -2.330) 2.717 4.207 ( -1.855 0.734 0.428) 2.040 4.256 ( 2.228 3.276 3.414) 5.230 4.325 ( 1.722 -0.016 1.648) 2.384 4.376 ( 2.083 2.030 -0.541) 2.958 4.626 ( -0.491 -1.597 -2.489) 2.998 5.273 ( 0.188 0.713 0.281) 0.789 5.458 ( 1.737 -1.644 -1.598) 2.876 5.733 ( 0.376 7.013 1.825) 7.256 6.441 ( 0.012 8.429 -0.655) 8.455 6.497 ( 1.666 9.641 -3.439) 10.370 6.604 ( -1.390 21.672 -6.662) 22.715 6.852 ( 6.894 19.558 -0.285) 20.739 6.900 ( 0.181 3.718 0.387) 3.742 7.606 ( -4.218 10.723 -7.350) 13.667 8.784 ( 0.387 16.456 1.248) 16.508 8.905 ( 1.736 1.025 4.637) 5.056 9.230 ( 1.389 2.570 2.666) 3.955 9.320 ( 3.044 1.073 9.816) 10.334 9.380 ( -1.122 3.260 -1.012) 3.593 9.523 ( 2.357 1.836 5.354) 6.131 10.362 ( 2.563 -3.654 -4.582) 6.396 10.873 ( 4.027 -3.545 -0.983) 5.454 11.390 ( 1.211 -7.688 -1.203) 7.876 11.582 ( -23.384 -17.449 1.074) 29.196 12.119 ( -0.799 -4.251 4.341) 6.128 12.371 ( -0.167 -7.373 -1.196) 7.471 12.796 ( 0.509 14.229 -5.093) 15.121 14.312 ( 0.753 -1.284 0.081) 1.491 14.683 ( 2.486 -6.917 2.912) 7.906 16.245 ( -0.661 14.846 0.652) 14.875 16.402 ( 5.050 14.851 -5.465) 16.610 16.959 ( -0.469 -2.957 0.643) 3.062 18.655 ( 0.356 10.293 -2.115) 10.515 18.829 ( -0.884 -0.069 2.063) 2.246 18.966 ( -0.382 5.632 -9.137) 10.740 19.369 ( 11.044 -0.163 4.118) 11.788 19.855 ( 0.970 -2.056 -0.967) 2.470 20.012 ( -2.726 -9.849 0.343) 10.225 21.612 ( -0.367 -1.243 -0.117) 1.301 21.932 ( 1.244 -6.897 7.359) 10.162 ======================= Grid point 93 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -8.396 9.032 7.669) 14.522 0.515 ( 5.536 9.381 19.559) 22.388 0.762 ( -0.404 21.599 5.911) 22.396 0.898 ( 2.598 9.278 4.767) 10.749 1.119 ( -1.046 1.301 -12.539) 12.650 1.221 ( 0.722 15.116 -11.908) 19.257 1.369 ( 0.236 8.186 -6.398) 10.392 1.562 ( 2.324 0.552 1.508) 2.825 1.642 ( 2.343 6.035 4.163) 7.697 1.687 ( -2.257 0.389 -0.910) 2.465 1.770 ( 0.002 1.261 1.201) 1.741 1.799 ( -2.129 -2.324 -0.682) 3.225 1.840 ( -1.326 1.442 -1.643) 2.557 1.939 ( -0.292 -1.842 -0.246) 1.881 1.974 ( -1.747 -3.545 6.282) 7.421 2.147 ( 3.682 -5.178 -2.822) 6.952 2.222 ( 0.118 -4.434 -0.865) 4.519 2.306 ( -0.029 -0.375 -2.113) 2.147 2.396 ( 0.365 -0.460 -1.487) 1.599 2.466 ( -0.133 0.263 -0.706) 0.765 2.565 ( 1.559 11.468 1.400) 11.658 2.602 ( 0.619 10.534 -2.162) 10.771 2.630 ( -0.780 -4.086 1.141) 4.314 2.722 ( 0.428 7.554 2.777) 8.060 2.814 ( -0.815 5.159 -0.921) 5.303 2.872 ( 0.993 -0.822 -0.213) 1.307 2.935 ( 4.173 -2.755 -0.713) 5.051 2.996 ( -4.981 -1.669 -1.571) 5.483 3.017 ( -0.352 -0.671 -0.998) 1.253 3.116 ( 2.261 1.287 -0.582) 2.666 3.208 ( -6.912 -4.273 -1.693) 8.301 3.356 ( -0.199 -0.564 -2.972) 3.032 3.376 ( -6.279 0.176 -5.843) 8.579 3.480 ( 0.443 3.031 -1.110) 3.258 3.724 ( 1.066 0.545 0.537) 1.312 3.852 ( -1.553 1.727 0.562) 2.389 3.991 ( 1.286 -7.009 6.455) 9.615 4.059 ( -0.331 -0.990 -1.768) 2.053 4.121 ( 0.517 5.241 3.117) 6.120 4.216 ( 0.645 1.678 3.938) 4.329 4.341 ( -1.475 -3.803 0.856) 4.167 4.469 ( 3.562 -5.496 2.351) 6.958 4.621 ( -0.842 1.411 -1.107) 1.981 5.279 ( 0.686 -0.818 1.989) 2.257 5.513 ( 1.160 -2.921 -3.601) 4.780 5.611 ( 1.394 5.934 3.502) 7.029 6.022 ( -0.488 28.632 -25.158) 38.118 6.125 ( 2.469 19.987 -6.961) 21.308 6.464 ( 4.704 6.069 4.945) 9.134 6.557 ( 2.953 9.663 3.583) 10.720 6.886 ( -0.112 -0.566 -1.180) 1.314 7.361 ( -3.942 8.807 -7.430) 12.178 8.511 ( 0.207 10.447 -0.059) 10.449 8.878 ( 1.018 3.089 2.317) 3.994 9.211 ( 1.376 -0.547 2.614) 3.004 9.318 ( 0.321 2.679 2.763) 3.862 9.387 ( 1.095 -0.508 1.634) 2.032 9.668 ( 23.472 -13.095 29.015) 39.551 10.419 ( -0.085 -1.889 -6.696) 6.958 10.973 ( 5.697 -2.872 2.271) 6.772 11.534 ( 5.490 -5.254 -5.646) 9.467 11.706 ( -26.086 -10.741 4.084) 28.505 12.162 ( -6.967 0.610 -0.256) 6.999 12.498 ( 0.268 -1.710 -2.627) 3.146 12.512 ( -7.439 6.255 -6.772) 11.846 14.318 ( 0.026 0.444 0.009) 0.445 14.923 ( 9.692 -14.019 11.176) 20.381 15.950 ( -1.963 12.834 -2.397) 13.203 16.124 ( 9.717 18.149 -8.065) 22.110 17.007 ( -0.422 -1.875 0.979) 2.157 18.454 ( 0.338 8.032 -0.369) 8.048 18.670 ( 3.204 22.480 -18.634) 29.374 18.873 ( -2.906 -2.351 0.260) 3.747 19.532 ( 8.742 -6.967 5.760) 12.576 19.875 ( 0.209 -0.221 -1.443) 1.475 20.192 ( 7.022 -7.586 6.741) 12.341 21.632 ( -0.331 -0.876 -0.153) 0.949 22.150 ( 2.902 -13.704 13.533) 19.477 ======================= Grid point 95 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 4.812 0.000 10.627) 11.666 0.411 ( 13.983 0.000 9.258) 16.770 0.789 ( -1.622 -0.000 -0.087) 1.624 0.858 ( 0.784 0.000 -0.551) 0.958 1.008 ( 17.628 0.000 29.355) 34.241 1.086 ( 1.763 0.000 -11.259) 11.396 1.162 ( -1.715 -0.000 -10.561) 10.699 1.567 ( -3.842 -0.000 -7.396) 8.334 1.613 ( 2.713 0.000 4.125) 4.937 1.634 ( -3.044 -0.000 3.737) 4.820 1.696 ( -0.317 -0.000 -2.592) 2.611 1.768 ( -3.855 -0.000 -2.036) 4.360 1.827 ( -0.478 -0.000 -1.820) 1.881 1.970 ( -1.494 -0.000 2.608) 3.005 1.986 ( -0.850 -0.000 3.701) 3.798 2.237 ( -1.540 -0.000 -1.813) 2.379 2.303 ( -2.984 -0.000 -1.133) 3.191 2.322 ( 0.612 0.000 1.753) 1.857 2.365 ( -4.581 -0.000 0.424) 4.601 2.389 ( -2.977 -0.000 -1.386) 3.284 2.444 ( 2.286 0.000 -1.304) 2.632 2.449 ( 1.562 0.000 1.018) 1.864 2.613 ( -4.540 -0.000 -0.004) 4.540 2.671 ( 0.272 0.000 -4.468) 4.477 2.770 ( -4.848 -0.000 0.400) 4.865 2.879 ( 7.132 0.000 -4.757) 8.573 2.902 ( -2.529 -0.000 4.534) 5.192 2.936 ( 7.107 0.000 -4.172) 8.241 3.075 ( -7.396 -0.000 0.835) 7.443 3.115 ( 2.475 0.000 0.399) 2.507 3.253 ( 9.902 0.000 1.668) 10.041 3.354 ( -0.977 -0.000 0.256) 1.010 3.431 ( 8.589 0.000 -3.154) 9.149 3.487 ( 5.654 0.000 -3.959) 6.902 3.671 ( -0.414 -0.000 -1.864) 1.910 3.855 ( 1.001 0.000 2.040) 2.272 4.047 ( -0.767 -0.000 -2.678) 2.786 4.097 ( 1.465 0.000 3.998) 4.258 4.148 ( -1.809 -0.000 1.922) 2.640 4.218 ( 1.312 0.000 0.502) 1.405 4.335 ( -1.809 -0.000 -1.830) 2.574 4.484 ( -6.746 -0.000 4.847) 8.307 4.749 ( 5.787 0.000 4.790) 7.513 5.194 ( 2.501 0.000 3.685) 4.454 5.488 ( -5.458 -0.000 -4.869) 7.314 5.524 ( -2.453 -0.000 -3.835) 4.552 5.691 ( -3.508 -0.000 -7.827) 8.577 5.917 ( 2.500 0.000 -0.810) 2.628 6.520 ( 5.033 0.000 11.138) 12.222 6.523 ( 0.552 0.000 1.037) 1.175 6.843 ( -2.965 -0.000 -5.172) 5.961 7.176 ( -2.348 -0.000 -7.374) 7.738 8.392 ( -0.310 -0.000 -0.902) 0.953 8.861 ( 0.488 0.000 1.630) 1.702 9.233 ( -0.285 -0.000 -0.423) 0.510 9.370 ( -0.253 -0.000 -0.783) 0.823 9.376 ( 3.984 0.000 8.201) 9.117 10.258 ( -12.910 -0.000 -4.947) 13.826 10.489 ( -13.729 -0.000 4.574) 14.471 11.018 ( -19.152 -0.000 0.149) 19.152 11.502 ( 25.698 0.000 -5.956) 26.379 11.776 ( 0.129 0.000 0.235) 0.268 12.009 ( 25.913 0.000 -4.451) 26.292 12.400 ( -0.333 -0.000 -1.230) 1.274 12.601 ( 2.948 0.000 1.120) 3.154 14.311 ( 0.048 0.000 -0.025) 0.054 15.699 ( 0.575 0.000 1.251) 1.377 15.713 ( -3.124 -0.000 -12.601) 12.982 15.805 ( -0.607 -0.000 -1.241) 1.382 17.039 ( 1.330 0.000 1.061) 1.702 18.261 ( -0.030 -0.000 0.037) 0.048 18.374 ( 0.066 0.000 -0.035) 0.075 18.904 ( 2.267 0.000 0.245) 2.280 19.496 ( -11.504 -0.000 7.894) 13.952 19.873 ( 0.416 0.000 -1.709) 1.759 20.667 ( 6.050 0.000 -9.224) 11.031 21.640 ( 0.389 0.000 -0.220) 0.446 22.293 ( -18.108 -0.000 11.137) 21.258 ======================= Grid point 96 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 13.460 -6.661 4.597) 15.706 0.662 ( 2.056 -17.971 4.860) 18.730 0.845 ( -0.236 -5.431 2.257) 5.886 1.044 ( 2.333 -5.409 3.425) 6.814 1.094 ( 1.375 -4.762 -9.572) 10.779 1.232 ( -0.028 -11.639 -2.685) 11.945 1.320 ( 8.433 -12.279 8.236) 17.021 1.524 ( -3.631 -0.163 -9.596) 10.261 1.620 ( -1.988 -0.447 6.163) 6.491 1.704 ( -0.173 -4.041 1.783) 4.420 1.727 ( -1.930 0.195 -0.808) 2.101 1.776 ( 0.012 -3.809 -2.542) 4.579 1.792 ( 1.264 -1.445 -0.141) 1.925 1.934 ( -0.746 1.483 3.388) 3.773 1.965 ( 1.692 2.613 1.132) 3.312 2.139 ( -3.859 6.927 -0.049) 7.930 2.212 ( 0.364 2.077 -3.101) 3.750 2.294 ( -1.496 2.308 -0.921) 2.900 2.366 ( -2.254 0.837 -4.191) 4.832 2.470 ( -2.851 -6.043 -0.668) 6.715 2.508 ( -3.021 -3.012 1.855) 4.652 2.567 ( -2.810 -7.813 0.642) 8.327 2.611 ( -0.092 -6.594 -0.241) 6.599 2.689 ( -2.173 -1.627 -3.322) 4.290 2.763 ( -1.892 -2.353 1.156) 3.233 2.886 ( -2.496 2.611 3.791) 5.236 2.952 ( 3.442 -3.622 -0.016) 4.997 2.990 ( 2.395 0.241 -1.873) 3.050 3.015 ( -0.691 -0.409 -1.441) 1.650 3.155 ( 2.275 -1.964 -0.368) 3.028 3.288 ( 7.238 0.424 -0.950) 7.313 3.330 ( 2.995 3.008 -0.365) 4.260 3.464 ( 7.483 3.658 -1.206) 8.416 3.527 ( 5.027 -1.744 -4.543) 6.996 3.731 ( 0.308 -4.743 -1.278) 4.921 3.845 ( 0.539 1.401 0.211) 1.516 4.011 ( -1.396 4.305 0.638) 4.570 4.041 ( -0.265 1.996 0.017) 2.013 4.182 ( 0.958 -3.371 3.538) 4.979 4.236 ( 0.185 0.827 1.433) 1.665 4.316 ( -1.125 2.272 4.179) 4.888 4.423 ( -4.150 -0.715 -1.963) 4.647 4.720 ( 4.829 4.430 2.743) 7.104 5.298 ( 0.083 0.758 2.112) 2.245 5.423 ( -4.816 0.758 -3.169) 5.815 5.691 ( 1.680 -7.632 3.697) 8.645 5.730 ( -5.394 -22.341 -11.955) 25.906 6.118 ( -4.256 -16.634 -4.598) 17.775 6.519 ( 0.903 0.351 1.180) 1.526 6.660 ( 2.901 -8.190 8.835) 12.392 6.859 ( -1.452 -4.213 -2.066) 4.912 7.213 ( -3.992 -6.201 -9.482) 12.013 8.509 ( -0.216 -11.652 -0.220) 11.656 8.917 ( 0.559 -4.909 1.643) 5.207 9.240 ( -0.136 -0.159 -0.120) 0.241 9.385 ( 1.121 -1.965 1.803) 2.893 9.410 ( 2.606 -0.030 4.669) 5.347 10.026 ( -9.418 12.497 9.966) 18.553 10.320 ( -3.413 4.501 -0.971) 5.731 10.854 ( -14.323 3.791 -4.969) 15.627 11.442 ( 14.324 11.937 -1.416) 18.700 11.993 ( 15.719 2.686 1.004) 15.978 12.143 ( 8.009 -4.700 -1.280) 9.374 12.422 ( -2.047 -6.457 -4.553) 8.162 12.559 ( 2.942 5.427 -0.452) 6.190 14.315 ( -0.198 -0.199 0.006) 0.281 15.124 ( -1.975 24.349 2.794) 24.589 15.873 ( -2.007 -12.946 -2.098) 13.268 16.156 ( -3.746 -16.273 -5.806) 17.679 17.025 ( 1.230 2.283 1.054) 2.799 18.458 ( -0.398 -9.061 -0.849) 9.110 18.496 ( -4.107 -16.641 -6.395) 18.294 18.901 ( 2.374 1.565 0.696) 2.928 19.399 ( -8.221 3.738 7.711) 11.875 19.869 ( 0.143 0.593 -1.622) 1.733 20.490 ( 1.899 15.071 -2.310) 15.365 21.634 ( 0.499 0.892 -0.195) 1.041 22.096 ( -8.541 7.797 10.799) 15.822 ======================= Grid point 97 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 10.225 -7.701 4.026) 13.419 0.971 ( 0.241 -7.093 2.248) 7.444 1.013 ( 0.732 -14.059 -0.596) 14.090 1.134 ( 6.815 -3.184 1.528) 7.676 1.214 ( -0.440 -5.998 0.006) 6.014 1.379 ( -4.288 -4.474 -8.320) 10.374 1.509 ( -0.392 -1.071 -6.470) 6.570 1.564 ( -1.494 -5.152 -0.773) 5.419 1.646 ( -2.255 -1.338 1.105) 2.845 1.688 ( 0.726 -0.292 -0.890) 1.185 1.782 ( 5.681 -2.982 1.256) 6.537 1.837 ( 0.720 -2.658 2.081) 3.452 1.873 ( 0.760 5.293 0.263) 5.353 1.928 ( 1.405 -4.267 1.473) 4.728 1.988 ( -1.068 -0.725 1.813) 2.226 2.007 ( -0.004 -1.737 1.980) 2.634 2.197 ( 2.787 -0.470 -2.616) 3.852 2.257 ( -3.184 -0.375 -0.509) 3.246 2.350 ( -2.536 -1.642 -4.201) 5.174 2.439 ( -3.481 0.756 -0.247) 3.571 2.542 ( 1.064 2.347 -0.939) 2.743 2.663 ( -1.487 1.652 -2.251) 3.163 2.682 ( -5.544 -2.957 1.267) 6.409 2.744 ( -5.732 -6.352 -0.194) 8.558 2.793 ( 1.341 0.267 3.796) 4.034 2.884 ( 0.669 -6.735 2.492) 7.212 3.000 ( 1.530 -0.064 -0.950) 1.802 3.025 ( 2.168 -2.571 0.178) 3.368 3.100 ( 2.593 -5.866 1.347) 6.554 3.203 ( 1.206 -1.190 2.375) 2.917 3.255 ( 2.548 6.224 -1.555) 6.903 3.355 ( 3.921 -2.104 -3.323) 5.554 3.448 ( 5.979 0.260 -2.635) 6.539 3.577 ( 6.084 0.479 -2.197) 6.486 3.782 ( 0.980 -0.149 0.220) 1.015 3.853 ( -0.927 -2.285 -2.489) 3.503 3.918 ( -0.904 3.736 1.752) 4.224 4.028 ( 0.191 0.057 1.292) 1.307 4.118 ( -2.091 5.158 1.343) 5.725 4.272 ( -2.408 1.135 3.058) 4.055 4.342 ( 0.853 -6.934 2.165) 7.314 4.441 ( -2.269 -3.040 -2.537) 4.564 4.650 ( 3.012 5.437 -0.173) 6.218 5.271 ( -0.154 0.574 -0.174) 0.619 5.399 ( -3.361 -0.912 -1.382) 3.747 5.799 ( 0.507 -4.802 0.883) 4.909 6.268 ( -1.962 -26.190 -3.187) 26.456 6.460 ( -2.513 -17.839 -1.823) 18.107 6.535 ( -1.079 -6.942 -3.341) 7.779 6.868 ( 0.056 -8.800 3.744) 9.563 7.007 ( 4.368 -10.051 8.043) 13.594 7.309 ( -6.783 -8.637 -12.921) 16.957 8.817 ( 0.008 -18.129 0.945) 18.154 9.057 ( 1.009 -8.003 2.449) 8.430 9.213 ( -1.177 1.865 -1.363) 2.592 9.396 ( 2.941 2.250 3.893) 5.373 9.528 ( 0.918 -9.476 1.708) 9.673 9.784 ( -3.064 9.276 9.280) 13.474 10.222 ( -3.126 3.972 -3.293) 6.032 10.685 ( -9.209 3.659 -5.032) 11.114 11.274 ( 9.648 12.045 -2.168) 15.584 11.888 ( 15.126 16.264 2.826) 22.390 12.178 ( 2.456 3.479 4.229) 6.001 12.379 ( 0.236 9.245 -1.846) 9.430 12.721 ( -1.707 -17.835 -4.630) 18.506 14.299 ( -1.264 1.772 0.066) 2.178 14.764 ( -1.953 11.432 1.694) 11.720 16.175 ( -1.681 -17.751 -0.840) 17.850 16.411 ( -2.425 -12.892 -3.159) 13.493 16.977 ( 0.961 3.225 0.717) 3.440 18.662 ( 0.606 -7.737 -3.761) 8.624 18.738 ( -1.970 -12.116 -1.098) 12.324 18.918 ( -0.063 -4.164 -0.540) 4.200 19.273 ( -6.001 4.618 4.694) 8.909 19.835 ( -1.038 2.631 -1.081) 3.028 20.197 ( 2.289 14.662 -1.078) 14.879 21.614 ( 0.439 1.253 -0.194) 1.342 21.932 ( -3.918 6.108 6.092) 9.475 ======================= Grid point 98 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 3.607 -5.892 1.773) 7.132 1.126 ( 2.950 -7.367 -1.426) 8.063 1.202 ( 4.463 -4.350 0.990) 6.310 1.270 ( 3.299 -2.713 5.779) 7.186 1.336 ( -2.274 -8.456 -5.622) 10.406 1.382 ( -2.807 -1.827 -5.490) 6.431 1.480 ( 0.312 2.486 -2.755) 3.724 1.573 ( -2.778 0.825 0.123) 2.900 1.646 ( -0.262 2.488 -0.188) 2.509 1.760 ( -2.294 2.760 -1.562) 3.914 1.768 ( 3.811 -4.413 -1.573) 6.040 1.826 ( 2.846 1.005 -0.824) 3.129 1.864 ( 0.605 -0.481 1.231) 1.454 1.932 ( -3.201 -0.448 -0.010) 3.232 2.030 ( 1.035 -0.627 1.284) 1.765 2.074 ( 1.728 -0.812 -2.214) 2.924 2.220 ( -0.642 -0.883 -1.591) 1.930 2.277 ( -1.218 0.977 -4.262) 4.539 2.403 ( -0.656 -4.900 -0.084) 4.944 2.437 ( -2.617 -2.197 0.775) 3.504 2.468 ( 2.935 2.525 1.121) 4.031 2.622 ( 0.281 0.382 -0.028) 0.475 2.679 ( -1.977 -0.141 3.402) 3.938 2.795 ( -0.227 -0.603 1.919) 2.024 2.855 ( -3.208 -4.520 0.556) 5.570 2.990 ( 0.464 -2.162 1.383) 2.608 3.023 ( 1.785 -0.814 2.136) 2.901 3.099 ( 3.746 0.259 -2.290) 4.398 3.120 ( 0.268 2.816 0.951) 2.984 3.205 ( -0.066 -3.247 -0.130) 3.250 3.309 ( 3.627 -7.157 1.720) 8.206 3.376 ( 0.365 1.423 -2.088) 2.554 3.487 ( 1.364 -0.886 -4.081) 4.393 3.593 ( 5.784 1.587 0.954) 6.073 3.781 ( -0.068 1.651 -1.481) 2.219 3.866 ( 0.571 -0.550 -0.682) 1.046 3.891 ( 0.515 -0.738 0.028) 0.900 4.000 ( -0.921 3.577 1.613) 4.031 4.054 ( -1.898 -0.278 3.155) 3.693 4.247 ( -4.018 -0.724 -0.824) 4.165 4.445 ( -1.214 -3.600 -0.026) 3.799 4.499 ( -0.130 -0.085 -1.927) 1.934 4.591 ( 2.912 -0.810 0.605) 3.082 5.275 ( 0.557 -0.737 -0.701) 1.160 5.382 ( -2.283 0.834 -0.612) 2.507 5.881 ( -0.168 -3.217 0.508) 3.261 6.493 ( -0.456 -0.312 -0.463) 0.721 6.648 ( 0.583 -12.453 0.531) 12.478 6.941 ( -4.103 -11.902 -1.362) 12.663 7.102 ( 2.603 -22.065 -0.831) 22.234 7.256 ( 3.321 -7.955 8.631) 12.199 7.444 ( -5.161 -11.783 -9.658) 16.086 9.142 ( 0.988 -10.821 1.376) 10.953 9.151 ( -0.150 1.554 0.717) 1.718 9.259 ( -1.830 -8.577 -0.427) 8.780 9.403 ( 2.536 -3.842 3.442) 5.747 9.617 ( -2.631 6.602 3.386) 7.873 9.751 ( 0.833 -10.445 1.039) 10.529 10.090 ( -1.746 6.801 -3.138) 7.690 10.590 ( -4.714 0.371 -2.423) 5.313 11.136 ( 7.350 6.692 0.171) 9.942 11.586 ( 8.264 21.803 1.307) 23.353 12.116 ( 1.599 4.052 3.132) 5.366 12.194 ( -1.697 7.810 -1.988) 8.236 13.025 ( -0.910 -13.124 -1.866) 13.287 14.229 ( -2.097 3.414 0.088) 4.007 14.621 ( -0.519 3.417 0.542) 3.498 16.503 ( -0.402 -14.830 0.210) 14.837 16.622 ( -1.943 -9.875 -1.963) 10.254 16.921 ( 0.652 2.865 0.323) 2.956 18.683 ( 1.507 2.439 -1.189) 3.104 18.991 ( 0.277 -5.018 -2.759) 5.733 19.053 ( 0.858 -11.892 2.413) 12.165 19.204 ( -6.021 -4.490 0.965) 7.573 19.735 ( -1.766 6.603 -0.318) 6.843 19.951 ( 2.690 11.585 -2.073) 12.073 21.593 ( 0.333 1.011 -0.204) 1.083 21.814 ( -2.309 4.261 3.660) 6.073 ======================= Grid point 99 (39/115) ======================= q-point: ( 0.56 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.306 -4.904 -2.167) 5.370 1.196 ( -0.458 1.986 -0.540) 2.109 1.242 ( 1.163 3.180 -1.081) 3.555 1.337 ( 2.117 -1.324 -0.743) 2.605 1.380 ( 2.204 -1.435 2.531) 3.650 1.459 ( 0.715 -3.182 -2.657) 4.207 1.510 ( -1.597 -5.016 -2.766) 5.946 1.534 ( -1.687 0.609 1.018) 2.062 1.587 ( 0.595 0.782 -0.853) 1.301 1.670 ( -3.397 3.427 0.312) 4.836 1.813 ( 1.711 1.392 -1.057) 2.446 1.840 ( 1.526 0.074 -4.489) 4.742 1.900 ( 0.412 -1.536 2.782) 3.205 1.954 ( -0.037 -3.799 -1.254) 4.001 2.008 ( 1.916 2.491 1.497) 3.481 2.093 ( 0.677 0.298 -1.495) 1.668 2.215 ( -0.489 -0.051 -3.061) 3.101 2.244 ( -0.705 -1.103 -1.834) 2.253 2.409 ( -1.203 0.595 -7.183) 7.307 2.484 ( -1.356 -2.342 0.558) 2.763 2.508 ( 2.733 -0.560 1.740) 3.288 2.622 ( -0.228 1.922 0.827) 2.105 2.668 ( 0.741 1.159 3.962) 4.195 2.786 ( -1.120 0.159 3.846) 4.009 2.907 ( -3.496 -2.338 -0.466) 4.231 2.987 ( -0.160 1.666 0.655) 1.797 3.024 ( 0.949 0.946 -1.661) 2.134 3.060 ( 3.324 0.799 5.023) 6.076 3.185 ( 0.692 -3.229 -0.413) 3.328 3.281 ( 0.276 -2.660 0.511) 2.723 3.310 ( 1.008 4.069 -0.715) 4.252 3.427 ( -3.734 -2.549 -2.050) 4.964 3.537 ( 5.227 -2.773 0.482) 5.936 3.601 ( 3.152 0.467 0.657) 3.253 3.732 ( -3.838 0.648 -4.004) 5.584 3.849 ( 0.889 3.320 1.627) 3.803 3.926 ( 0.549 -0.528 1.684) 1.849 3.939 ( 0.525 1.363 0.192) 1.473 4.047 ( -2.308 -0.131 3.283) 4.015 4.251 ( -2.735 -2.319 -2.232) 4.223 4.435 ( 0.015 3.075 -3.370) 4.562 4.504 ( 0.259 -2.157 0.837) 2.328 4.665 ( 1.447 -1.825 0.201) 2.338 5.299 ( 0.792 -0.880 -0.749) 1.401 5.344 ( -0.982 0.774 -0.460) 1.332 5.926 ( -0.284 -1.289 0.877) 1.585 6.488 ( -0.088 0.196 -0.328) 0.392 6.822 ( -0.144 -4.679 -0.665) 4.728 7.026 ( -0.272 -1.448 1.388) 2.024 7.321 ( -0.053 -0.438 2.022) 2.070 7.588 ( -0.246 -17.651 -1.880) 17.753 7.620 ( 0.462 -6.590 -0.802) 6.654 9.094 ( -0.169 3.586 1.053) 3.742 9.280 ( -0.185 -1.074 0.138) 1.099 9.311 ( -0.176 -2.279 0.663) 2.380 9.467 ( -0.497 4.895 1.807) 5.242 9.634 ( -2.196 -9.968 -0.186) 10.209 9.808 ( 0.813 7.146 0.871) 7.245 10.062 ( 1.171 -6.822 -0.830) 6.971 10.596 ( -2.191 -3.332 -1.477) 4.252 11.111 ( 3.943 1.616 1.541) 4.531 11.209 ( 1.648 15.973 0.144) 16.058 12.043 ( 0.023 4.619 0.712) 4.674 12.087 ( -0.620 0.743 -0.499) 1.089 13.202 ( -0.185 -4.979 -0.733) 5.036 14.171 ( -0.888 0.829 0.017) 1.215 14.582 ( -0.084 0.957 0.215) 0.985 16.705 ( 0.347 -4.283 0.514) 4.328 16.766 ( -1.233 -5.943 -1.119) 6.172 16.882 ( 0.457 1.313 -0.133) 1.397 18.644 ( 0.780 1.512 -0.119) 1.705 18.959 ( -0.164 2.643 -0.725) 2.745 19.324 ( -1.056 -12.167 -0.202) 12.214 19.379 ( -0.121 -12.374 0.852) 12.404 19.552 ( -1.017 10.560 0.133) 10.609 19.761 ( 1.701 8.854 -2.981) 9.496 21.580 ( 0.141 0.428 -0.180) 0.485 21.749 ( -1.148 1.456 2.815) 3.370 ======================= Grid point 100 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -2.228 9.028 0.411) 9.308 1.155 ( -0.609 4.708 -2.528) 5.379 1.232 ( -0.449 7.843 1.826) 8.066 1.293 ( -0.349 -6.024 -0.397) 6.047 1.370 ( 1.845 4.719 -2.469) 5.637 1.520 ( 1.742 -0.403 1.265) 2.190 1.541 ( 1.349 -2.011 -2.618) 3.566 1.577 ( -2.100 -2.707 -1.479) 3.731 1.626 ( -0.702 -3.485 0.999) 3.693 1.667 ( 0.601 -3.806 -0.486) 3.883 1.761 ( -0.208 3.456 -1.393) 3.732 1.836 ( 0.450 0.136 -4.565) 4.589 1.937 ( -0.869 -1.825 0.995) 2.253 1.977 ( 1.331 1.620 2.760) 3.466 2.016 ( 1.206 -0.971 -1.367) 2.065 2.107 ( 1.569 -1.479 -1.876) 2.858 2.235 ( -0.069 -2.578 -3.604) 4.432 2.259 ( 0.812 1.167 -0.936) 1.702 2.349 ( 0.158 3.453 -6.704) 7.543 2.458 ( -4.373 2.813 0.443) 5.218 2.522 ( -0.067 -0.554 2.152) 2.223 2.568 ( 1.347 2.135 -2.176) 3.333 2.658 ( -0.426 0.817 5.468) 5.545 2.809 ( 0.161 -2.012 4.385) 4.827 2.920 ( -2.223 -1.379 -1.105) 2.840 2.938 ( -0.555 2.369 0.596) 2.505 3.021 ( 2.871 1.855 1.165) 3.612 3.100 ( 1.599 -2.673 0.558) 3.164 3.223 ( -0.910 0.250 0.784) 1.227 3.242 ( 1.482 3.546 -0.116) 3.845 3.286 ( -0.578 1.747 0.893) 2.046 3.427 ( -3.217 -1.120 -0.292) 3.419 3.547 ( -4.521 5.413 -4.068) 8.142 3.575 ( 3.992 2.059 -1.905) 4.878 3.748 ( -4.105 -0.316 -1.115) 4.266 3.765 ( 2.083 0.847 3.393) 4.071 3.906 ( -0.745 1.587 4.808) 5.117 3.969 ( 2.695 -1.794 0.247) 3.247 4.063 ( -1.676 -2.627 0.290) 3.130 4.292 ( 1.051 -2.511 -1.356) 3.041 4.385 ( 0.484 1.788 -1.788) 2.574 4.520 ( 0.330 1.365 0.468) 1.480 4.659 ( 0.027 2.326 -0.928) 2.504 5.293 ( -0.317 0.573 -0.644) 0.919 5.375 ( 1.051 -2.777 -0.757) 3.064 5.924 ( -0.177 1.610 1.101) 1.958 6.486 ( 0.245 -0.028 -0.085) 0.261 6.831 ( -1.025 2.893 -2.095) 3.716 7.021 ( 1.849 2.760 3.934) 5.149 7.257 ( -0.904 6.891 0.873) 7.004 7.587 ( 1.490 9.306 -2.382) 9.721 7.814 ( -2.134 -4.309 -4.074) 6.302 9.011 ( 1.524 5.028 4.550) 6.950 9.249 ( -0.794 3.027 -0.104) 3.131 9.314 ( -1.773 2.100 -0.771) 2.855 9.410 ( 1.736 1.562 4.075) 4.697 9.629 ( -2.148 6.822 -2.610) 7.614 9.725 ( 3.006 4.575 6.700) 8.652 10.196 ( 0.514 -4.954 -4.101) 6.452 10.673 ( -0.243 -5.406 -1.810) 5.706 11.003 ( -2.424 -0.830 2.238) 3.402 11.186 ( -1.805 -4.096 -1.641) 4.767 11.999 ( 0.401 -0.269 1.471) 1.548 12.117 ( 0.019 -3.768 -0.459) 3.796 13.213 ( 0.378 3.757 -0.744) 3.849 14.191 ( 0.637 -2.732 0.130) 2.808 14.573 ( -0.001 -0.061 0.452) 0.456 16.691 ( -0.151 5.188 0.685) 5.235 16.806 ( 0.473 2.213 -0.959) 2.457 16.869 ( 0.257 -0.054 -0.476) 0.544 18.645 ( -0.346 -1.546 -0.433) 1.643 18.938 ( 0.092 -0.716 -0.006) 0.722 19.303 ( -0.548 13.627 0.573) 13.650 19.524 ( 4.304 -1.673 -0.013) 4.618 19.572 ( -1.865 -7.469 -1.787) 7.903 19.670 ( -0.216 -4.602 -1.998) 5.022 21.578 ( -0.076 -0.229 -0.130) 0.274 21.754 ( -0.184 -1.912 3.100) 3.647 ======================= Grid point 101 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -1.554 11.353 3.179) 11.891 0.986 ( 1.604 11.807 5.795) 13.250 1.105 ( 0.089 4.845 1.380) 5.038 1.237 ( -1.289 5.361 -8.527) 10.155 1.425 ( 0.342 -2.179 -1.432) 2.630 1.513 ( 1.503 1.378 -0.003) 2.039 1.558 ( 1.414 2.951 -1.887) 3.777 1.589 ( -1.960 -1.901 -3.410) 4.369 1.670 ( 2.273 1.639 -0.304) 2.819 1.719 ( -0.770 -0.178 -1.273) 1.498 1.726 ( -2.149 -2.982 -0.052) 3.676 1.835 ( 0.209 -0.797 -3.032) 3.142 1.933 ( -0.580 1.653 0.380) 1.793 1.967 ( -3.314 1.449 0.602) 3.666 2.002 ( 0.271 2.246 -1.628) 2.787 2.110 ( -0.688 3.102 0.947) 3.316 2.139 ( 3.541 5.922 -1.103) 6.988 2.309 ( 1.465 -2.225 -0.983) 2.840 2.348 ( 2.628 -3.046 1.934) 4.464 2.435 ( -2.403 -2.581 -3.030) 4.650 2.501 ( -1.538 2.771 1.244) 3.404 2.562 ( 1.145 -3.009 -3.770) 4.957 2.686 ( 0.741 -3.608 3.765) 5.267 2.865 ( -0.392 -1.649 4.227) 4.554 2.888 ( -0.950 0.935 0.491) 1.420 2.926 ( -0.227 0.237 -1.679) 1.711 3.014 ( 2.008 0.696 -0.574) 2.201 3.097 ( -0.197 6.443 -1.748) 6.678 3.148 ( -0.182 4.438 -0.091) 4.443 3.177 ( -2.262 3.423 2.831) 4.985 3.286 ( 1.986 -1.501 1.907) 3.136 3.339 ( -5.463 9.432 -1.435) 10.994 3.425 ( -1.852 0.460 -3.139) 3.674 3.538 ( 0.519 1.969 -3.317) 3.892 3.703 ( 1.806 0.707 2.022) 2.801 3.831 ( 0.672 -2.225 2.367) 3.317 3.887 ( -1.007 -0.248 3.799) 3.938 4.014 ( 0.818 -1.101 -0.392) 1.427 4.125 ( -2.337 -4.683 -1.253) 5.381 4.328 ( 1.335 1.700 -0.328) 2.187 4.376 ( 3.835 -0.802 1.517) 4.201 4.451 ( -0.750 5.277 0.969) 5.418 4.608 ( -0.613 1.298 -2.512) 2.893 5.283 ( -0.200 0.333 -0.675) 0.779 5.433 ( 0.942 -2.076 -0.980) 2.481 5.861 ( 0.284 4.878 1.597) 5.141 6.489 ( 0.583 0.176 0.356) 0.706 6.698 ( -1.589 9.099 -2.542) 9.580 6.954 ( 2.063 7.530 4.170) 8.851 7.035 ( 0.093 13.880 0.137) 13.881 7.278 ( 0.008 19.741 -6.697) 20.846 7.746 ( -4.200 6.780 -8.545) 11.689 8.962 ( 3.312 2.384 7.875) 8.870 9.101 ( 0.352 12.564 1.402) 12.647 9.275 ( 0.471 0.737 2.416) 2.569 9.409 ( 2.990 2.544 10.300) 11.023 9.452 ( -2.362 6.591 -3.898) 8.014 9.625 ( 3.064 6.609 5.475) 9.113 10.277 ( -0.603 -4.719 -6.325) 7.914 10.789 ( 0.841 -5.910 -2.146) 6.343 11.141 ( -8.626 -12.853 4.469) 16.112 11.268 ( -0.227 -6.507 -5.853) 8.755 12.049 ( 0.394 -3.375 3.778) 5.081 12.225 ( 0.138 -6.798 -0.913) 6.860 13.063 ( 0.573 11.262 -1.995) 11.452 14.268 ( 0.769 -3.635 0.254) 3.724 14.599 ( 0.709 -2.859 1.571) 3.338 16.516 ( -0.370 12.007 0.939) 12.049 16.673 ( 1.563 10.534 -2.869) 11.029 16.900 ( -0.071 -2.559 0.269) 2.574 18.689 ( -0.864 -2.845 -1.784) 3.467 18.960 ( 1.033 2.499 1.332) 3.014 19.028 ( -1.143 10.532 0.024) 10.594 19.453 ( 2.240 4.107 -4.690) 6.624 19.783 ( 2.136 -10.036 0.668) 10.283 19.797 ( -1.236 -6.639 -0.507) 6.772 21.588 ( -0.114 -0.895 -0.111) 0.909 21.828 ( 0.101 -4.869 4.645) 6.730 ======================= Grid point 102 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.877 12.137 5.331) 13.285 0.791 ( 5.748 10.960 14.523) 19.082 1.004 ( 0.372 7.348 1.188) 7.453 1.102 ( -1.974 5.304 -10.331) 11.779 1.280 ( 0.393 12.611 -4.615) 13.435 1.461 ( 2.875 10.949 -2.169) 11.526 1.497 ( -0.203 4.421 -3.605) 5.708 1.571 ( 0.050 0.049 -2.512) 2.513 1.682 ( -2.444 1.523 0.408) 2.909 1.697 ( 0.512 -3.590 1.430) 3.898 1.755 ( -2.354 -1.185 -0.809) 2.757 1.805 ( -0.453 6.923 3.415) 7.733 1.868 ( -0.251 -2.253 -2.084) 3.080 1.926 ( -0.011 0.920 2.428) 2.597 1.972 ( -2.981 4.155 1.527) 5.337 2.058 ( 1.147 -3.245 -1.593) 3.793 2.146 ( 0.987 -2.283 -2.080) 3.242 2.306 ( -0.506 0.952 -1.668) 1.986 2.421 ( 0.031 2.884 -1.026) 3.061 2.439 ( 2.548 -2.996 1.758) 4.308 2.520 ( -0.165 -5.703 -1.032) 5.798 2.688 ( 0.931 -5.333 -2.651) 6.028 2.761 ( -0.964 1.638 1.128) 2.211 2.841 ( -4.477 1.903 0.721) 4.918 2.853 ( 0.863 2.510 -0.676) 2.738 2.908 ( -1.752 8.132 0.203) 8.321 2.953 ( 7.449 1.073 0.779) 7.566 2.998 ( 1.008 2.017 1.194) 2.551 3.041 ( -2.659 6.531 1.381) 7.186 3.068 ( -3.563 -0.255 -3.813) 5.225 3.209 ( 1.277 2.638 2.713) 3.993 3.331 ( 1.278 -1.339 0.828) 2.028 3.373 ( -1.503 2.175 -6.878) 7.369 3.516 ( 0.620 0.696 -2.622) 2.783 3.732 ( 2.470 -0.929 2.228) 3.454 3.863 ( -0.529 -0.549 3.803) 3.879 3.913 ( -0.020 -2.193 1.276) 2.538 4.032 ( -0.250 -0.984 -1.825) 2.088 4.183 ( -1.965 -1.865 -0.069) 2.710 4.283 ( 0.040 1.955 4.072) 4.517 4.320 ( -0.859 6.150 0.892) 6.273 4.437 ( 4.272 -1.378 1.835) 4.850 4.608 ( -0.492 -1.633 -3.049) 3.494 5.276 ( 0.040 -0.001 0.259) 0.262 5.464 ( -0.080 -1.280 -1.794) 2.205 5.754 ( 1.433 6.348 2.777) 7.075 6.407 ( -3.859 16.981 -4.489) 17.984 6.498 ( 0.007 3.080 -1.894) 3.616 6.578 ( 0.823 22.084 -8.016) 23.508 6.885 ( -1.040 17.044 -0.342) 17.079 6.918 ( 1.714 3.613 1.544) 4.287 7.519 ( -4.005 10.384 -10.632) 15.392 8.797 ( 0.681 16.748 1.680) 16.846 8.958 ( 3.061 2.722 6.734) 7.882 9.247 ( 0.387 2.735 -0.300) 2.779 9.352 ( -1.233 -0.169 -0.231) 1.266 9.427 ( 4.862 3.563 11.023) 12.564 9.612 ( 6.412 -4.724 14.073) 16.171 10.347 ( -1.930 -3.665 -6.529) 7.733 10.910 ( 0.961 -5.938 -0.752) 6.062 11.284 ( -17.283 -10.670 -2.908) 20.518 11.473 ( 10.857 -9.523 -0.138) 14.443 12.125 ( -0.444 -3.007 4.797) 5.679 12.371 ( 0.667 -7.550 -1.042) 7.651 12.782 ( -0.238 16.205 -5.272) 17.043 14.317 ( 0.008 -0.914 0.091) 0.918 14.732 ( 2.480 -9.622 4.732) 11.006 16.229 ( -1.554 15.744 -0.589) 15.832 16.443 ( 2.747 12.792 -4.372) 13.795 16.957 ( -0.026 -2.892 0.679) 2.971 18.655 ( 0.632 9.448 -2.117) 9.703 18.814 ( -2.343 0.536 1.860) 3.039 18.936 ( 0.255 7.215 -8.468) 11.128 19.439 ( -1.994 -3.367 -0.879) 4.011 19.859 ( 0.035 -1.668 -1.070) 1.982 20.041 ( 5.954 -12.202 3.530) 14.029 21.609 ( -0.038 -1.166 -0.154) 1.176 21.961 ( -0.766 -7.915 8.250) 11.459 ======================= Grid point 105 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 4.179 0.000 6.747) 7.937 0.639 ( 15.063 0.000 5.650) 16.088 0.762 ( -1.995 -0.000 -0.948) 2.208 0.883 ( 2.572 0.000 1.459) 2.957 1.076 ( 1.590 0.000 -8.047) 8.202 1.110 ( -1.410 -0.000 -8.570) 8.685 1.297 ( 9.214 0.000 18.652) 20.803 1.488 ( -1.168 -0.000 -8.997) 9.073 1.613 ( -2.571 -0.000 6.372) 6.871 1.660 ( 1.785 0.000 3.409) 3.848 1.683 ( 0.329 0.000 -3.350) 3.366 1.708 ( -1.771 -0.000 -2.025) 2.691 1.831 ( 1.333 0.000 -1.711) 2.169 1.955 ( -0.927 -0.000 2.373) 2.548 2.013 ( 1.574 0.000 1.868) 2.443 2.186 ( -3.867 -0.000 -0.892) 3.968 2.253 ( -3.855 -0.000 -3.448) 5.172 2.315 ( -3.358 -0.000 1.369) 3.627 2.328 ( -1.696 -0.000 1.235) 2.098 2.349 ( -0.727 -0.000 -0.750) 1.045 2.438 ( -1.972 -0.000 -2.066) 2.856 2.472 ( 1.103 0.000 0.697) 1.305 2.540 ( -5.959 -0.000 0.594) 5.989 2.653 ( -0.558 -0.000 -3.889) 3.929 2.734 ( -1.176 -0.000 3.284) 3.488 2.895 ( -1.041 -0.000 4.635) 4.751 2.923 ( -1.977 -0.000 0.833) 2.145 3.006 ( 0.626 0.000 -2.187) 2.275 3.022 ( 6.256 0.000 -5.131) 8.090 3.138 ( 1.483 0.000 -1.151) 1.877 3.339 ( -1.646 -0.000 0.594) 1.750 3.402 ( 11.133 0.000 -0.038) 11.133 3.529 ( 6.948 0.000 -5.202) 8.679 3.580 ( 9.408 0.000 -1.951) 9.608 3.667 ( 0.493 0.000 -0.961) 1.080 3.870 ( 0.366 0.000 0.005) 0.366 4.031 ( -0.424 -0.000 -1.913) 1.960 4.118 ( -3.492 -0.000 2.955) 4.574 4.126 ( 1.076 0.000 2.826) 3.024 4.236 ( 1.120 0.000 -0.155) 1.130 4.321 ( 0.002 0.000 -0.015) 0.015 4.420 ( -4.609 -0.000 3.567) 5.828 4.832 ( 3.863 0.000 3.667) 5.327 5.254 ( 4.106 0.000 5.811) 7.115 5.395 ( -5.056 -0.000 -4.182) 6.561 5.443 ( -5.162 -0.000 -8.901) 10.290 5.663 ( 0.019 0.000 -0.579) 0.579 5.885 ( -5.092 -0.000 -1.195) 5.231 6.535 ( 0.683 0.000 0.755) 1.018 6.613 ( 4.243 0.000 8.956) 9.910 6.775 ( -4.431 -0.000 -6.462) 7.835 7.124 ( -2.256 -0.000 -4.284) 4.842 8.386 ( -0.137 -0.000 -0.545) 0.562 8.869 ( 0.078 0.000 0.941) 0.945 9.228 ( -0.225 -0.000 -0.234) 0.324 9.368 ( 0.154 0.000 -0.294) 0.332 9.455 ( 4.060 0.000 6.081) 7.312 10.051 ( -14.493 -0.000 1.398) 14.560 10.362 ( -7.246 -0.000 1.943) 7.502 10.789 ( -12.676 -0.000 -5.432) 13.791 11.779 ( 0.115 0.000 0.154) 0.192 11.826 ( 21.959 0.000 -7.359) 23.160 12.286 ( 15.614 0.000 -0.359) 15.618 12.378 ( -1.210 -0.000 -2.136) 2.455 12.658 ( 5.228 0.000 1.225) 5.370 14.312 ( 0.088 0.000 -0.013) 0.089 15.525 ( -15.236 -0.000 -11.087) 18.844 15.708 ( 0.139 0.000 0.702) 0.716 15.795 ( -0.227 -0.000 -0.722) 0.757 17.061 ( 1.248 0.000 0.796) 1.480 18.260 ( -0.075 -0.000 0.010) 0.076 18.375 ( 0.121 0.000 -0.015) 0.122 18.940 ( 2.324 0.000 1.207) 2.618 19.398 ( -7.040 -0.000 8.626) 11.134 19.876 ( 0.796 0.000 -1.869) 2.032 20.637 ( -4.915 -0.000 -5.096) 7.080 21.647 ( 0.736 0.000 -0.149) 0.751 22.126 ( -11.470 -0.000 10.724) 15.702 ======================= Grid point 106 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 2.306 -16.746 1.729) 16.992 0.785 ( 12.029 -4.109 5.068) 13.684 0.833 ( -1.231 -6.900 0.244) 7.014 1.087 ( 1.509 -1.912 -6.329) 6.782 1.104 ( 3.021 -12.653 4.534) 13.777 1.183 ( -2.068 -7.878 -6.066) 10.155 1.382 ( -4.698 -5.450 -7.590) 10.459 1.501 ( 3.335 -1.190 1.641) 3.902 1.605 ( -4.469 -0.912 -0.246) 4.568 1.701 ( 3.052 -0.545 4.690) 5.622 1.763 ( 4.193 -3.830 2.616) 6.253 1.779 ( 2.090 -6.990 2.296) 7.649 1.812 ( 2.066 -1.204 -0.724) 2.498 1.942 ( 0.441 0.627 1.548) 1.727 1.990 ( 1.267 2.765 1.168) 3.258 2.088 ( -3.081 6.447 -0.075) 7.145 2.188 ( -2.282 0.479 -4.832) 5.365 2.262 ( -2.547 1.919 0.342) 3.208 2.322 ( -1.795 0.874 -3.889) 4.371 2.432 ( -2.737 -2.048 -1.080) 3.585 2.468 ( -2.955 -5.292 3.057) 6.788 2.524 ( -4.178 -7.301 0.913) 8.461 2.616 ( 0.549 -6.786 -0.232) 6.812 2.651 ( -1.416 -0.499 -2.630) 3.029 2.756 ( -0.764 -3.683 3.854) 5.385 2.843 ( -4.614 3.635 2.874) 6.539 2.977 ( -0.121 -5.789 2.290) 6.227 3.021 ( 3.548 0.158 -1.571) 3.883 3.049 ( 4.279 0.120 -1.781) 4.637 3.169 ( 0.721 -1.930 -1.651) 2.640 3.293 ( -1.778 1.917 0.379) 2.642 3.456 ( 10.636 2.118 -2.588) 11.150 3.551 ( 5.795 5.779 -2.342) 8.513 3.599 ( 6.560 -2.179 -3.045) 7.553 3.743 ( 2.057 -4.053 -0.261) 4.552 3.848 ( 0.028 1.827 -2.038) 2.737 3.998 ( -0.762 4.951 1.867) 5.346 4.026 ( -1.837 0.450 -0.339) 1.922 4.198 ( -0.059 -2.644 2.247) 3.471 4.249 ( 0.748 2.298 2.211) 3.275 4.316 ( -0.640 1.698 3.515) 3.955 4.362 ( -3.638 -1.362 -2.623) 4.688 4.779 ( 2.574 5.387 1.026) 6.058 5.297 ( -1.078 1.410 0.269) 1.795 5.356 ( -3.251 0.781 -1.223) 3.561 5.664 ( -0.449 -23.628 -4.749) 24.105 5.717 ( 0.679 -7.578 1.627) 7.781 6.035 ( -5.510 -16.517 -2.250) 17.557 6.530 ( 0.435 0.629 -0.003) 0.764 6.730 ( 3.039 -6.326 6.875) 9.824 6.826 ( -1.980 -9.214 -3.190) 9.949 7.137 ( -3.211 -3.256 -4.206) 6.213 8.506 ( -0.175 -11.742 -0.125) 11.744 8.924 ( -0.089 -5.232 0.435) 5.251 9.236 ( -0.251 0.053 -0.112) 0.280 9.394 ( 0.361 -3.386 0.303) 3.418 9.470 ( 3.081 1.638 3.488) 4.933 9.906 ( -10.004 5.534 3.347) 11.912 10.267 ( -4.126 3.665 -2.248) 5.959 10.682 ( -8.118 2.384 -3.302) 9.082 11.594 ( 8.367 12.565 -3.970) 15.609 12.166 ( 9.623 -9.754 -0.412) 13.708 12.281 ( 9.701 8.289 1.136) 12.811 12.382 ( -1.422 -5.043 -1.025) 5.339 12.606 ( 4.633 8.747 0.285) 9.903 14.312 ( -0.255 0.251 0.017) 0.358 15.061 ( -6.357 20.428 -2.170) 21.505 15.845 ( -1.308 -12.624 -1.105) 12.739 16.086 ( -3.700 -17.433 -3.878) 18.238 17.044 ( 1.016 2.402 0.705) 2.702 18.420 ( -2.421 -13.265 -3.293) 13.881 18.472 ( 0.162 -9.629 -0.165) 9.632 18.933 ( 1.553 2.003 2.028) 3.246 19.333 ( -5.059 3.394 6.673) 9.035 19.867 ( 0.298 1.253 -1.722) 2.150 20.466 ( -3.168 11.300 -2.679) 12.037 21.641 ( 0.699 1.023 -0.093) 1.243 22.020 ( -6.608 4.666 7.479) 11.017 ======================= Grid point 107 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 3.161 -4.342 3.191) 6.247 0.987 ( 4.010 -8.862 -0.697) 9.752 1.034 ( 2.585 -13.070 2.056) 13.481 1.159 ( -0.429 -6.362 -5.837) 8.645 1.278 ( -3.055 -4.482 -3.769) 6.605 1.294 ( 3.263 -2.600 5.238) 6.697 1.476 ( -0.536 -5.545 -7.821) 9.602 1.540 ( -1.477 -0.874 -2.384) 2.938 1.613 ( -1.780 -3.600 -1.699) 4.360 1.709 ( 2.246 -1.437 -0.030) 2.667 1.840 ( -0.374 2.351 0.240) 2.393 1.846 ( 2.617 -0.898 0.353) 2.789 1.891 ( 1.632 3.492 0.905) 3.960 1.946 ( -1.494 3.612 0.755) 3.981 1.985 ( 2.819 -4.167 1.422) 5.228 2.037 ( 1.214 -5.488 4.692) 7.322 2.204 ( -3.864 -1.706 -0.748) 4.289 2.229 ( 2.888 -2.854 -2.099) 4.570 2.310 ( -0.891 -1.021 -4.266) 4.476 2.391 ( -2.994 0.411 0.349) 3.042 2.545 ( -0.439 1.546 -0.847) 1.816 2.603 ( -5.414 -2.826 1.649) 6.326 2.652 ( -0.809 -0.951 0.989) 1.593 2.701 ( -0.873 -5.220 0.801) 5.353 2.797 ( -2.570 -1.405 2.460) 3.825 2.904 ( 1.014 -7.702 2.328) 8.110 3.020 ( 1.736 0.706 -1.093) 2.169 3.083 ( 5.789 -2.469 2.246) 6.682 3.124 ( 0.627 -4.579 0.398) 4.638 3.209 ( -1.053 -3.931 0.726) 4.134 3.249 ( -1.569 2.764 -0.070) 3.179 3.421 ( 5.342 5.528 -1.962) 7.934 3.512 ( 4.985 1.303 -5.637) 7.637 3.659 ( 5.314 0.423 -0.932) 5.412 3.800 ( 1.766 0.046 -0.467) 1.827 3.831 ( -0.612 -1.709 -3.501) 3.944 3.912 ( -0.229 3.054 1.140) 3.268 4.028 ( -0.853 -0.966 1.730) 2.157 4.103 ( -1.316 6.077 2.325) 6.638 4.241 ( -3.244 2.829 2.164) 4.817 4.352 ( 0.261 -6.136 -0.363) 6.152 4.407 ( -1.639 -4.372 -1.468) 4.894 4.681 ( 1.649 5.619 -0.858) 5.918 5.272 ( 0.555 0.405 -0.026) 0.687 5.352 ( -2.835 -1.735 -0.628) 3.383 5.802 ( -0.096 -4.674 -0.230) 4.681 6.255 ( 0.791 -25.887 -0.842) 25.913 6.413 ( -3.374 -26.092 -0.167) 26.310 6.523 ( 0.182 -0.173 -0.519) 0.577 6.876 ( -0.257 -7.692 0.364) 7.705 7.103 ( 2.751 -15.884 2.890) 16.377 7.187 ( -3.034 -4.527 -2.344) 5.932 8.816 ( -0.416 -18.442 0.082) 18.447 9.062 ( -0.665 -8.425 -0.554) 8.470 9.201 ( -0.206 2.655 0.359) 2.687 9.440 ( 1.771 2.337 0.872) 3.059 9.535 ( -0.131 -9.417 -0.125) 9.419 9.734 ( -6.000 6.404 1.923) 8.984 10.172 ( -2.753 3.422 -4.017) 5.952 10.594 ( -2.837 2.259 0.985) 3.758 11.388 ( 7.761 12.418 -3.165) 14.982 12.077 ( 9.866 18.516 6.891) 22.083 12.220 ( 1.663 4.504 1.035) 4.911 12.381 ( 1.269 12.182 -1.258) 12.312 12.687 ( -1.070 -18.836 -3.906) 19.267 14.281 ( -1.328 2.665 0.015) 2.978 14.732 ( -2.674 9.494 -0.523) 9.877 16.155 ( -0.939 -18.199 -0.536) 18.231 16.369 ( -2.234 -13.860 -2.576) 14.273 16.991 ( 0.656 3.413 0.418) 3.500 18.651 ( 0.008 -9.317 -4.645) 10.410 18.724 ( 0.082 -14.732 -0.072) 14.732 18.917 ( -0.660 -1.465 2.632) 3.084 19.223 ( -3.704 5.181 4.016) 7.530 19.818 ( -0.832 3.353 -1.014) 3.600 20.206 ( 0.168 12.677 -2.245) 12.875 21.620 ( 0.519 1.384 -0.117) 1.483 21.895 ( -3.628 5.019 4.398) 7.596 ======================= Grid point 108 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.118 -4.480 0.387) 4.499 1.163 ( 2.702 -5.755 -3.945) 7.482 1.249 ( 1.488 -6.142 -0.480) 6.338 1.283 ( -1.803 -2.705 -0.333) 3.268 1.318 ( -0.528 -7.072 -3.495) 7.907 1.373 ( 3.612 -2.477 3.441) 5.569 1.483 ( 1.242 2.173 -1.729) 3.042 1.530 ( -3.003 0.007 -2.495) 3.904 1.653 ( 1.164 2.432 1.215) 2.957 1.717 ( -1.972 3.636 -1.345) 4.349 1.820 ( 3.187 -3.475 -1.497) 4.947 1.855 ( 1.590 0.948 -1.935) 2.678 1.871 ( 0.810 -0.813 -0.702) 1.345 1.901 ( -1.218 -0.153 2.015) 2.359 2.050 ( 0.865 -0.333 1.043) 1.395 2.082 ( -0.006 -0.670 -1.005) 1.208 2.204 ( -1.070 -0.833 -0.582) 1.476 2.263 ( 1.584 2.869 -2.625) 4.199 2.371 ( -2.214 -2.914 -4.538) 5.830 2.409 ( -1.527 -4.065 1.134) 4.488 2.517 ( 1.989 -0.338 3.417) 3.969 2.601 ( -2.948 -1.745 0.801) 3.518 2.689 ( 1.453 -0.876 2.053) 2.664 2.791 ( -3.547 0.431 2.077) 4.133 2.808 ( -0.851 -4.973 0.630) 5.084 3.014 ( 1.767 -1.462 1.293) 2.633 3.029 ( -0.486 -0.501 -0.289) 0.756 3.121 ( -0.349 3.522 0.647) 3.598 3.178 ( 4.627 -0.424 -0.117) 4.648 3.215 ( 3.999 -3.541 1.410) 5.524 3.328 ( -1.995 -5.236 0.738) 5.652 3.371 ( 0.114 1.631 -0.038) 1.635 3.508 ( 3.481 -0.459 -4.264) 5.524 3.655 ( 1.590 1.947 -0.059) 2.515 3.759 ( -0.939 3.642 -4.008) 5.496 3.864 ( -1.521 -1.193 -2.211) 2.936 3.911 ( 3.527 -1.484 0.733) 3.896 4.004 ( -0.000 3.598 3.036) 4.708 4.041 ( -1.195 -0.056 3.550) 3.746 4.190 ( -3.711 -0.558 0.070) 3.753 4.419 ( -1.186 -2.876 -2.505) 3.994 4.503 ( 0.523 -1.536 -0.295) 1.649 4.617 ( 0.863 -0.710 -0.692) 1.314 5.285 ( 1.162 -0.865 -0.387) 1.499 5.352 ( -1.860 0.331 -0.398) 1.930 5.880 ( -0.156 -3.220 0.667) 3.292 6.484 ( -0.465 -0.838 -1.015) 1.396 6.657 ( 0.440 -11.700 0.374) 11.714 6.904 ( -1.011 -14.087 2.112) 14.280 7.125 ( 1.425 -22.223 -1.373) 22.311 7.248 ( -6.009 -6.157 -6.331) 10.682 7.446 ( 6.440 -12.418 8.905) 16.583 9.136 ( -1.351 -3.638 -1.401) 4.126 9.149 ( -0.717 -6.877 -1.141) 7.007 9.246 ( -0.238 -8.055 1.492) 8.195 9.429 ( 0.133 -3.155 -0.300) 3.172 9.571 ( -4.150 5.880 -0.432) 7.210 9.750 ( -0.863 -10.778 -2.189) 11.032 10.071 ( -0.012 5.093 -1.319) 5.262 10.562 ( 0.511 0.421 3.223) 3.290 11.229 ( 5.800 7.623 0.600) 9.598 11.679 ( 4.274 25.689 2.648) 26.176 12.129 ( -1.548 4.144 -1.578) 4.697 12.175 ( 0.589 8.389 0.957) 8.464 13.011 ( -0.290 -13.636 -1.687) 13.743 14.203 ( -1.520 3.224 -0.073) 3.565 14.613 ( -0.670 2.609 -0.206) 2.702 16.501 ( 0.158 -15.749 -0.143) 15.751 16.593 ( -1.486 -9.946 -1.326) 10.143 16.928 ( 0.262 3.006 0.078) 3.019 18.702 ( 1.628 2.430 -1.060) 3.111 18.986 ( 0.343 -5.022 -3.125) 5.925 19.062 ( -0.318 -12.945 1.600) 13.048 19.149 ( -3.007 -4.639 3.414) 6.498 19.714 ( -0.989 6.521 -0.178) 6.598 19.970 ( 1.201 11.256 -2.773) 11.654 21.597 ( 0.349 1.132 -0.157) 1.195 21.794 ( -2.098 3.583 2.903) 5.066 ======================= Grid point 109 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.252 -2.885 -3.915) 4.870 1.191 ( -0.124 1.424 -0.067) 1.431 1.236 ( -0.779 3.027 -1.374) 3.414 1.374 ( 2.679 2.145 1.007) 3.576 1.391 ( -1.348 -3.906 -2.084) 4.628 1.470 ( 1.145 -3.045 0.270) 3.265 1.488 ( -1.214 -0.944 -3.502) 3.825 1.526 ( 1.009 -5.315 1.511) 5.617 1.605 ( 1.884 2.517 0.712) 3.223 1.639 ( -0.860 2.229 1.746) 2.960 1.811 ( -1.258 1.232 -1.822) 2.534 1.828 ( -0.734 0.838 -4.140) 4.287 1.912 ( 0.392 -0.414 1.724) 1.816 1.981 ( 3.617 -3.521 -1.903) 5.394 2.036 ( 0.480 1.758 2.141) 2.812 2.095 ( 1.035 -0.729 -2.500) 2.803 2.188 ( -1.557 -0.154 -2.295) 2.778 2.255 ( 2.005 -0.501 2.495) 3.240 2.363 ( -1.611 0.162 -9.236) 9.377 2.462 ( -1.333 -1.097 -0.896) 1.945 2.552 ( 2.361 0.184 3.477) 4.207 2.609 ( -2.410 0.355 0.879) 2.590 2.676 ( -1.158 1.984 0.423) 2.336 2.788 ( -0.147 -1.158 4.752) 4.893 2.870 ( -1.376 -2.098 -0.517) 2.561 2.985 ( -0.291 2.226 -0.085) 2.246 3.035 ( 1.342 -0.696 0.303) 1.542 3.111 ( 0.603 0.296 4.974) 5.020 3.201 ( 1.653 0.474 -2.176) 2.774 3.293 ( 2.271 -0.907 0.617) 2.522 3.339 ( 2.485 2.583 -0.359) 3.602 3.364 ( -3.855 -2.393 0.983) 4.643 3.584 ( -2.934 -1.336 -2.151) 3.876 3.616 ( 2.573 0.162 -4.404) 5.104 3.681 ( -0.916 2.048 0.561) 2.313 3.839 ( -1.398 1.900 -1.104) 2.605 3.941 ( 0.486 1.184 1.908) 2.297 3.981 ( 3.576 0.237 4.433) 5.700 4.023 ( -2.558 0.196 1.173) 2.821 4.225 ( -0.108 -3.800 -0.243) 3.810 4.421 ( -0.131 1.651 -3.628) 3.988 4.521 ( 1.359 -1.374 1.574) 2.492 4.665 ( -1.071 -1.568 -1.769) 2.595 5.306 ( 0.520 0.482 -0.759) 1.039 5.333 ( -0.434 -1.060 -0.421) 1.220 5.927 ( -0.028 -1.269 1.178) 1.732 6.484 ( -0.174 -0.109 -0.588) 0.623 6.814 ( -0.364 -3.943 -0.953) 4.073 7.042 ( 1.152 -2.678 2.896) 4.109 7.292 ( -3.483 -1.915 -2.271) 4.578 7.580 ( -0.047 -17.459 -2.164) 17.593 7.662 ( 4.291 -3.472 4.916) 7.392 9.105 ( 0.716 2.227 2.099) 3.143 9.258 ( -2.475 -1.910 -3.178) 4.458 9.303 ( -0.603 -0.494 0.685) 1.038 9.453 ( -2.044 2.879 -0.678) 3.595 9.597 ( -1.751 -8.537 -1.245) 8.803 9.847 ( 2.449 3.267 3.231) 5.207 10.060 ( -0.482 -6.205 -2.094) 6.567 10.595 ( 1.861 -2.438 1.951) 3.635 11.157 ( 1.914 3.777 0.948) 4.339 11.218 ( -0.366 18.842 0.332) 18.848 12.031 ( -1.347 3.229 -1.143) 3.681 12.089 ( 0.687 1.398 0.799) 1.750 13.199 ( 0.049 -5.289 -0.716) 5.337 14.162 ( -0.398 -0.026 -0.040) 0.401 14.581 ( -0.167 0.782 0.065) 0.802 16.711 ( 0.364 -3.394 0.099) 3.415 16.750 ( -0.531 -7.420 -0.496) 7.456 16.884 ( 0.011 1.302 -0.414) 1.366 18.653 ( 0.436 2.205 -0.107) 2.250 18.954 ( -0.079 2.386 -0.802) 2.519 19.311 ( -0.501 -12.415 -0.041) 12.425 19.386 ( 0.354 -13.240 1.308) 13.309 19.544 ( -0.269 10.269 0.387) 10.279 19.767 ( 0.685 9.206 -3.514) 9.878 21.582 ( 0.137 0.582 -0.141) 0.614 21.743 ( -1.005 0.778 2.591) 2.886 ======================= Grid point 110 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.881 8.650 0.148) 8.696 1.145 ( 0.380 3.916 -2.434) 4.626 1.240 ( 0.422 8.512 2.527) 8.890 1.278 ( -1.114 -4.293 -1.067) 4.562 1.391 ( 1.941 3.489 -1.112) 4.144 1.508 ( -3.525 -3.148 -4.266) 6.367 1.557 ( 1.955 0.749 3.733) 4.280 1.576 ( 1.999 -2.777 -2.794) 4.418 1.606 ( -2.061 -2.710 -0.423) 3.431 1.689 ( 2.107 -3.480 0.747) 4.136 1.758 ( 0.447 3.115 -0.339) 3.165 1.819 ( -0.818 -0.584 -4.989) 5.089 1.910 ( -3.208 -0.035 -0.552) 3.256 1.984 ( -0.396 1.679 0.130) 1.730 2.036 ( 1.743 0.334 -0.574) 1.865 2.123 ( 0.407 -0.777 -2.787) 2.922 2.225 ( 0.098 -4.297 -1.334) 4.500 2.285 ( 3.703 0.628 0.446) 3.783 2.338 ( 0.573 -0.351 -7.104) 7.136 2.404 ( -2.018 4.738 -0.290) 5.159 2.526 ( -0.101 1.846 0.279) 1.870 2.590 ( 1.423 1.385 2.106) 2.894 2.655 ( -1.547 -0.578 3.098) 3.510 2.819 ( -1.020 -1.520 4.244) 4.622 2.899 ( -0.206 -1.567 -0.454) 1.645 2.937 ( 0.271 2.496 0.378) 2.539 3.052 ( 1.050 1.396 0.370) 1.786 3.125 ( 1.324 -1.856 1.119) 2.539 3.182 ( -4.045 1.360 0.726) 4.329 3.269 ( 2.382 4.061 -0.093) 4.709 3.308 ( 1.331 2.385 1.553) 3.142 3.390 ( -2.533 -1.909 -1.115) 3.363 3.476 ( -1.900 6.108 -3.122) 7.118 3.600 ( 1.573 3.659 -4.536) 6.036 3.696 ( -3.095 -2.292 1.278) 4.058 3.820 ( 3.102 -0.309 2.795) 4.187 3.909 ( -0.390 2.188 3.583) 4.216 4.016 ( 2.311 -0.047 4.073) 4.683 4.025 ( -2.386 -3.021 -2.652) 4.675 4.313 ( 1.902 -3.660 -0.189) 4.128 4.387 ( 0.509 1.059 -1.090) 1.603 4.534 ( 1.273 1.874 1.285) 2.605 4.640 ( -1.912 2.186 -2.605) 3.901 5.287 ( -0.123 0.605 -0.857) 1.056 5.382 ( 0.189 -3.014 -0.777) 3.119 5.927 ( 0.049 1.537 1.092) 1.886 6.488 ( 0.089 -0.340 -0.079) 0.361 6.813 ( -0.630 3.438 -1.327) 3.738 7.062 ( 1.818 1.938 3.577) 4.456 7.241 ( -1.520 5.698 0.917) 5.968 7.599 ( 1.083 11.892 -1.970) 12.103 7.764 ( -2.682 -2.167 -6.342) 7.218 9.064 ( 3.297 3.590 6.831) 8.391 9.232 ( -1.620 2.160 -2.004) 3.362 9.287 ( -1.027 0.786 0.506) 1.389 9.443 ( 0.848 -1.154 4.683) 4.897 9.601 ( -0.922 6.838 -0.064) 6.900 9.796 ( 3.634 5.017 6.586) 9.042 10.156 ( -3.465 -4.482 -7.492) 9.392 10.682 ( 1.594 -4.528 -0.535) 4.830 10.989 ( -0.665 1.626 2.143) 2.770 11.156 ( -1.110 -3.050 -2.958) 4.391 12.010 ( 0.384 -1.101 1.889) 2.220 12.115 ( -0.039 -3.701 -0.546) 3.741 13.214 ( 0.127 3.636 -0.761) 3.717 14.197 ( 0.077 -3.239 0.198) 3.246 14.575 ( 0.115 -0.354 0.606) 0.712 16.693 ( -0.001 5.218 0.887) 5.293 16.807 ( 0.117 1.899 -1.094) 2.195 16.869 ( 0.039 -0.135 -0.573) 0.590 18.638 ( -0.391 -0.916 -0.732) 1.236 18.944 ( 0.641 -1.168 0.464) 1.411 19.303 ( 0.161 13.761 0.864) 13.789 19.522 ( -3.917 -1.281 -3.075) 5.141 19.570 ( 2.198 -8.238 -0.405) 8.535 19.678 ( 1.874 -4.726 -1.018) 5.184 21.577 ( 0.030 -0.150 -0.107) 0.187 21.759 ( -0.504 -2.436 3.216) 4.065 ======================= Grid point 111 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.595 10.938 3.466) 12.024 1.040 ( 3.505 8.619 6.279) 11.225 1.107 ( 0.145 3.919 -0.767) 3.996 1.215 ( 0.691 7.460 -3.389) 8.223 1.418 ( -0.109 0.837 -3.016) 3.132 1.504 ( -3.907 1.589 -7.230) 8.370 1.515 ( -0.830 -0.320 -2.699) 2.842 1.606 ( 0.984 -1.054 2.844) 3.188 1.685 ( -1.390 -4.357 -1.468) 4.803 1.711 ( 2.264 2.781 0.221) 3.593 1.721 ( 1.100 1.575 -1.131) 2.230 1.821 ( -0.587 -1.039 -3.157) 3.375 1.883 ( -3.975 0.204 -0.513) 4.013 1.960 ( 0.388 1.137 1.643) 2.036 2.015 ( 1.988 3.210 -1.868) 4.213 2.092 ( -2.259 2.568 -0.901) 3.537 2.187 ( 2.922 6.388 1.731) 7.234 2.316 ( -0.059 -0.121 -0.387) 0.409 2.381 ( -1.492 -3.526 -2.396) 4.516 2.409 ( 3.732 -5.126 -0.615) 6.370 2.497 ( -0.179 2.134 0.257) 2.157 2.572 ( 1.376 -1.873 -0.928) 2.503 2.705 ( 0.326 -3.772 3.335) 5.045 2.840 ( -3.510 -0.357 0.795) 3.617 2.885 ( 0.176 1.928 0.197) 1.946 2.938 ( 1.473 -1.795 1.366) 2.694 3.032 ( 0.728 1.366 -1.375) 2.071 3.074 ( -2.018 6.094 -0.435) 6.435 3.147 ( -2.786 2.175 1.884) 4.006 3.171 ( 3.621 7.172 -0.105) 8.035 3.248 ( -3.987 2.509 0.805) 4.779 3.363 ( 3.882 2.263 -0.750) 4.556 3.410 ( 1.533 1.868 -2.104) 3.204 3.532 ( 0.541 1.972 -3.988) 4.482 3.730 ( 1.366 -1.617 2.931) 3.616 3.860 ( 1.693 -0.077 2.512) 3.030 3.883 ( -0.705 -0.678 1.302) 1.628 4.022 ( -0.210 0.029 1.992) 2.003 4.087 ( -2.060 -4.175 -1.914) 5.034 4.325 ( -1.175 1.855 -0.054) 2.197 4.421 ( 0.971 -0.620 2.324) 2.594 4.475 ( 3.828 3.998 1.727) 5.799 4.579 ( -2.140 0.982 -3.811) 4.480 5.277 ( -0.198 0.276 -0.859) 0.924 5.433 ( -0.510 -1.996 -0.921) 2.257 5.872 ( 0.490 4.234 1.403) 4.487 6.496 ( 0.220 -0.177 0.455) 0.535 6.667 ( -1.685 10.346 -2.169) 10.704 6.998 ( 2.394 10.660 3.869) 11.590 7.038 ( 0.126 11.213 0.215) 11.216 7.233 ( -2.981 20.498 -5.035) 21.317 7.658 ( -4.317 7.589 -11.194) 14.197 9.043 ( 4.352 2.954 8.646) 10.120 9.114 ( 0.733 10.356 1.888) 10.552 9.289 ( 0.691 -0.167 1.313) 1.493 9.387 ( -3.368 8.466 -1.903) 9.307 9.520 ( 4.944 -2.346 13.191) 14.281 9.679 ( 2.550 8.385 4.647) 9.920 10.221 ( -3.890 -5.933 -7.813) 10.553 10.775 ( -2.503 -5.435 -3.802) 7.089 11.036 ( -4.563 -6.021 -0.029) 7.554 11.327 ( 8.427 -11.748 -1.630) 14.549 12.065 ( 0.384 -3.276 4.048) 5.221 12.223 ( 0.045 -7.014 -1.059) 7.094 13.058 ( -0.262 11.626 -2.055) 11.809 14.270 ( -0.547 -3.581 0.282) 3.633 14.614 ( 0.512 -3.752 1.871) 4.224 16.513 ( -0.466 12.684 0.833) 12.720 16.674 ( -0.161 9.855 -2.851) 10.260 16.903 ( 0.280 -2.554 0.358) 2.594 18.674 ( -0.307 -2.674 -1.889) 3.288 18.983 ( 1.578 0.309 1.045) 1.917 19.016 ( -0.467 13.762 0.521) 13.780 19.407 ( -5.672 3.428 -4.962) 8.279 19.781 ( -1.110 -7.046 -0.231) 7.137 19.841 ( 5.164 -10.391 0.453) 11.612 21.588 ( 0.094 -0.872 -0.123) 0.886 21.837 ( -0.954 -5.153 4.787) 7.098 ======================= Grid point 115 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 2.243 0.000 4.084) 4.660 0.736 ( -1.101 -0.000 -1.324) 1.723 0.841 ( 12.194 0.000 3.666) 12.733 0.919 ( 1.206 0.000 -1.011) 1.574 1.072 ( -0.447 -0.000 -2.737) 2.773 1.086 ( 1.367 0.000 -2.077) 2.486 1.280 ( -6.193 -0.000 -11.047) 12.664 1.518 ( -0.992 -0.000 4.446) 4.556 1.574 ( -1.790 -0.000 -1.586) 2.391 1.650 ( -1.421 -0.000 -3.811) 4.067 1.713 ( 2.415 0.000 2.375) 3.387 1.798 ( 10.786 0.000 10.295) 14.911 1.849 ( 2.227 0.000 -0.309) 2.248 1.951 ( -0.671 -0.000 0.955) 1.167 2.028 ( 0.144 0.000 0.938) 0.949 2.145 ( -2.377 -0.000 -2.955) 3.793 2.190 ( -2.826 -0.000 -1.403) 3.155 2.276 ( -2.847 -0.000 0.672) 2.926 2.295 ( -2.260 -0.000 0.131) 2.264 2.356 ( 0.589 0.000 0.419) 0.723 2.389 ( -3.636 -0.000 -2.430) 4.373 2.465 ( -5.295 -0.000 2.003) 5.661 2.478 ( -0.315 -0.000 -0.590) 0.669 2.644 ( 0.689 0.000 -1.819) 1.945 2.749 ( 0.889 0.000 6.127) 6.191 2.857 ( -6.030 -0.000 1.668) 6.256 2.890 ( -1.697 -0.000 2.873) 3.337 3.046 ( 3.782 0.000 -1.267) 3.989 3.078 ( 4.090 0.000 -4.210) 5.870 3.160 ( 2.539 0.000 -1.141) 2.783 3.310 ( -2.768 -0.000 0.329) 2.787 3.535 ( 8.784 0.000 -5.828) 10.541 3.607 ( 6.478 0.000 -1.785) 6.720 3.677 ( 1.052 0.000 0.211) 1.073 3.700 ( 8.319 0.000 -0.847) 8.362 3.859 ( -1.507 -0.000 -2.430) 2.860 4.014 ( -2.046 -0.000 -0.828) 2.207 4.087 ( -1.844 -0.000 3.968) 4.376 4.138 ( -0.190 -0.000 0.521) 0.555 4.247 ( 0.784 0.000 -0.388) 0.875 4.332 ( 1.174 0.000 1.806) 2.154 4.380 ( -2.622 -0.000 2.654) 3.731 4.860 ( -0.789 -0.000 0.023) 0.789 5.299 ( -1.491 -0.000 -4.650) 4.884 5.347 ( -0.437 -0.000 -1.566) 1.626 5.395 ( 2.828 0.000 5.918) 6.559 5.664 ( 0.015 0.000 -0.419) 0.419 5.800 ( -5.731 -0.000 -2.782) 6.371 6.543 ( 0.267 0.000 -0.377) 0.462 6.679 ( -3.878 -0.000 -6.107) 7.234 6.697 ( 2.076 0.000 5.320) 5.711 7.098 ( -0.435 -0.000 0.906) 1.005 8.385 ( 0.109 0.000 -0.093) 0.144 8.868 ( -0.422 -0.000 -0.085) 0.430 9.226 ( -0.039 -0.000 0.090) 0.097 9.373 ( 0.476 0.000 0.437) 0.646 9.509 ( 1.656 0.000 0.765) 1.824 9.887 ( -10.252 -0.000 0.859) 10.288 10.271 ( -6.022 -0.000 -4.895) 7.761 10.658 ( -4.585 -0.000 -0.900) 4.673 11.780 ( 0.039 0.000 0.033) 0.051 12.010 ( 9.558 0.000 -16.049) 18.680 12.382 ( 1.905 0.000 2.162) 2.882 12.431 ( 5.264 0.000 4.322) 6.811 12.771 ( 10.141 0.000 6.143) 11.856 14.313 ( 0.087 0.000 0.005) 0.087 15.295 ( -12.414 -0.000 -10.721) 16.403 15.706 ( -0.472 -0.000 -0.497) 0.685 15.796 ( 0.373 0.000 0.434) 0.573 17.076 ( 0.595 0.000 0.414) 0.725 18.259 ( -0.084 -0.000 -0.033) 0.090 18.377 ( 0.119 0.000 0.017) 0.121 18.969 ( 1.132 0.000 2.391) 2.646 19.346 ( -4.395 -0.000 6.359) 7.730 19.883 ( 0.995 0.000 -2.093) 2.317 20.542 ( -6.184 -0.000 -3.528) 7.120 21.658 ( 0.829 0.000 0.052) 0.830 22.031 ( -6.766 -0.000 6.859) 9.635 ======================= Grid point 116 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 1.451 -16.554 2.516) 16.807 0.815 ( -0.805 -6.847 0.147) 6.896 0.955 ( 10.108 -3.224 3.282) 11.106 1.060 ( -4.374 -1.569 -4.543) 6.499 1.086 ( -3.508 -11.119 -6.525) 13.361 1.211 ( 3.973 -8.159 5.074) 10.397 1.291 ( -1.544 -7.738 -10.953) 13.500 1.519 ( -4.226 -2.508 -1.222) 5.064 1.536 ( -0.038 1.334 -2.157) 2.536 1.730 ( 0.503 -2.146 0.191) 2.213 1.786 ( 1.157 -4.238 0.581) 4.432 1.834 ( 1.787 -2.915 -1.480) 3.726 1.915 ( 6.314 -2.344 10.788) 12.718 1.944 ( -0.077 0.510 1.821) 1.893 2.006 ( 0.715 1.731 0.746) 2.016 2.066 ( -0.288 7.126 -0.555) 7.153 2.134 ( -2.069 -0.927 -4.607) 5.134 2.236 ( -1.669 1.386 0.063) 2.170 2.303 ( 1.018 -0.501 -2.685) 2.915 2.395 ( -2.275 0.726 1.092) 2.626 2.450 ( -1.944 -8.005 2.545) 8.622 2.467 ( -2.849 -5.989 0.235) 6.636 2.618 ( -0.086 -8.492 -1.010) 8.552 2.639 ( 0.229 0.921 -0.520) 1.083 2.753 ( -1.866 -1.136 4.445) 4.953 2.791 ( -3.743 1.042 2.081) 4.407 2.982 ( -0.098 -7.708 2.559) 8.122 3.061 ( 2.372 0.750 -0.074) 2.489 3.098 ( 3.481 -0.546 -2.152) 4.129 3.174 ( 0.917 0.447 -0.780) 1.284 3.266 ( -2.224 1.527 0.848) 2.828 3.561 ( 6.543 1.463 -7.328) 9.933 3.604 ( 2.594 6.205 -1.540) 6.900 3.676 ( 5.561 -1.290 -0.364) 5.721 3.783 ( 3.467 -1.888 -0.167) 3.951 3.831 ( -1.528 0.790 -2.857) 3.335 3.981 ( -2.434 2.549 2.044) 4.074 4.021 ( 1.181 2.085 1.583) 2.872 4.191 ( -1.317 -3.005 -0.378) 3.303 4.262 ( -0.294 4.817 2.490) 5.431 4.306 ( -2.962 2.366 -1.174) 3.968 4.329 ( 0.885 -2.050 1.344) 2.606 4.791 ( -0.609 4.566 -1.758) 4.930 5.279 ( -0.787 -1.241 -0.744) 1.647 5.331 ( -0.799 2.996 0.495) 3.139 5.679 ( 2.807 -17.952 0.707) 18.184 5.717 ( -0.640 -11.776 -0.525) 11.805 5.975 ( -2.391 -17.648 0.765) 17.825 6.529 ( -0.279 0.628 -1.343) 1.508 6.723 ( -4.726 -6.988 -5.510) 10.076 6.825 ( 1.804 -9.877 2.045) 10.247 7.128 ( 2.212 -2.584 5.031) 6.073 8.504 ( -0.019 -11.512 -0.001) 11.512 8.918 ( -0.720 -5.180 -0.816) 5.293 9.234 ( -0.075 0.165 0.087) 0.201 9.399 ( 0.233 -3.168 0.319) 3.192 9.493 ( -0.590 1.648 -2.172) 2.789 9.787 ( -8.098 3.579 -0.676) 8.879 10.195 ( -3.675 2.187 -5.511) 6.976 10.625 ( -0.319 1.489 2.406) 2.848 11.656 ( 3.348 9.990 -4.891) 11.615 12.219 ( 0.795 -11.711 -9.398) 15.036 12.366 ( 0.685 2.238 1.128) 2.598 12.410 ( 4.773 2.738 5.357) 7.680 12.709 ( 8.830 14.004 7.059) 17.998 14.309 ( -0.176 0.718 0.042) 0.741 14.964 ( -5.442 16.162 -4.977) 17.765 15.831 ( -0.488 -12.445 -0.670) 12.472 16.039 ( -1.675 -16.837 -2.548) 17.111 17.054 ( 0.305 2.347 0.256) 2.381 18.391 ( -0.653 -11.975 -2.049) 12.166 18.476 ( 0.300 -9.525 0.170) 9.531 18.954 ( 0.259 2.288 3.254) 3.987 19.293 ( -3.585 3.272 4.412) 6.559 19.866 ( 0.464 1.900 -1.835) 2.682 20.409 ( -3.401 8.325 -3.011) 9.483 21.651 ( 0.657 1.171 0.129) 1.349 21.963 ( -4.436 3.476 4.803) 7.404 ======================= Grid point 117 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.144 -4.721 1.917) 5.222 1.028 ( 1.105 -10.415 -0.626) 10.492 1.078 ( -3.561 -7.467 -6.269) 10.380 1.131 ( 2.673 -8.282 0.312) 8.708 1.196 ( -1.605 -5.666 -3.490) 6.846 1.381 ( 3.155 -3.534 4.717) 6.686 1.449 ( -1.404 -4.765 -4.339) 6.595 1.523 ( 1.628 -0.191 -4.076) 4.394 1.596 ( 0.169 -6.997 -1.703) 7.203 1.745 ( 3.078 -2.616 -0.268) 4.048 1.838 ( 0.565 4.615 0.314) 4.660 1.871 ( 1.199 0.406 0.110) 1.271 1.892 ( -1.911 1.566 -1.392) 2.836 1.935 ( -0.384 3.488 0.792) 3.597 2.018 ( 0.608 -1.856 1.154) 2.269 2.051 ( -2.166 -3.708 6.368) 7.681 2.168 ( -0.253 -2.594 -1.865) 3.204 2.246 ( 0.475 -4.691 -2.713) 5.440 2.329 ( 5.613 0.875 -2.801) 6.334 2.368 ( -0.571 0.047 1.437) 1.546 2.519 ( -3.142 -1.063 1.302) 3.564 2.559 ( -1.508 0.564 -0.337) 1.645 2.648 ( -0.611 -5.035 3.009) 5.897 2.713 ( 1.280 -3.309 1.972) 4.059 2.749 ( -4.203 -2.175 0.196) 4.736 2.919 ( -0.065 -8.975 1.805) 9.155 3.038 ( 1.322 1.437 -0.875) 2.139 3.126 ( -0.478 -3.164 0.634) 3.262 3.168 ( -3.851 -2.594 -2.442) 5.246 3.185 ( 7.057 -3.740 4.211) 9.029 3.239 ( -1.022 -0.906 3.226) 3.503 3.470 ( 2.422 7.592 -1.437) 8.097 3.548 ( 3.374 2.130 -7.325) 8.341 3.692 ( 0.083 1.783 -1.698) 2.464 3.805 ( -1.136 1.317 -2.507) 3.051 3.825 ( 0.861 -1.236 -1.545) 2.158 3.938 ( 3.604 1.444 1.236) 4.075 4.021 ( -1.341 -0.617 2.596) 2.986 4.093 ( -0.525 5.175 1.561) 5.430 4.200 ( -3.355 3.549 1.699) 5.171 4.356 ( 1.089 -4.719 -1.603) 5.101 4.380 ( -2.068 -5.414 -1.236) 5.925 4.688 ( 0.028 5.085 -1.831) 5.405 5.287 ( 1.264 0.502 0.599) 1.486 5.322 ( -1.172 -1.971 -0.054) 2.293 5.795 ( -0.706 -5.112 -1.024) 5.261 6.281 ( 3.020 -24.760 0.012) 24.943 6.379 ( -1.823 -23.660 2.381) 23.849 6.535 ( 1.368 -3.703 1.195) 4.125 6.859 ( -2.001 -9.604 -2.465) 10.116 7.010 ( -6.830 -9.637 -8.596) 14.608 7.303 ( 9.551 -9.662 13.375) 19.065 8.807 ( -0.621 -18.044 -0.556) 18.063 9.038 ( -2.041 -7.121 -3.131) 8.042 9.207 ( 0.554 1.594 1.419) 2.205 9.438 ( -1.596 1.979 -2.679) 3.693 9.523 ( -1.213 -8.975 -1.774) 9.229 9.646 ( -6.481 4.947 -3.197) 8.758 10.136 ( -0.194 2.097 -2.812) 3.513 10.607 ( 2.674 1.696 5.094) 5.998 11.461 ( 4.254 10.971 -2.402) 12.010 12.180 ( 0.842 13.510 6.413) 14.978 12.221 ( -0.180 9.926 -0.783) 9.959 12.407 ( 1.760 15.592 0.797) 15.712 12.681 ( 2.050 -17.889 -2.805) 18.224 14.267 ( -0.621 3.361 -0.053) 3.419 14.695 ( -2.023 7.506 -1.901) 8.003 16.149 ( 0.364 -18.407 -0.244) 18.413 16.339 ( -1.076 -14.311 -2.308) 14.535 16.996 ( -0.035 3.455 0.090) 3.456 18.643 ( 0.935 -11.297 -4.193) 12.086 18.733 ( 1.310 -14.896 -0.264) 14.955 18.916 ( -1.208 0.201 4.777) 4.932 19.190 ( -2.762 5.035 2.519) 6.271 19.809 ( -0.077 3.800 -0.933) 3.914 20.194 ( -0.644 10.984 -2.889) 11.376 21.627 ( 0.395 1.508 0.051) 1.559 21.864 ( -2.529 4.371 3.159) 5.957 ======================= Grid point 118 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.475 -4.500 -0.299) 4.745 1.169 ( -0.329 -5.536 -4.987) 7.458 1.185 ( -5.104 -6.875 -6.191) 10.567 1.288 ( -0.194 -3.488 1.164) 3.682 1.350 ( 4.775 -7.710 2.799) 9.491 1.416 ( 1.177 0.051 0.475) 1.270 1.466 ( -2.542 -0.357 -3.336) 4.210 1.523 ( 2.890 1.006 -0.135) 3.063 1.684 ( 2.246 1.729 2.875) 4.037 1.710 ( 1.165 3.957 -0.671) 4.180 1.811 ( -2.334 2.862 -1.703) 4.066 1.853 ( -1.102 1.187 -2.030) 2.597 1.903 ( 0.949 -1.659 2.122) 2.856 1.920 ( 4.901 -4.792 -1.383) 6.992 2.042 ( -1.596 -0.603 -0.873) 1.917 2.078 ( -1.044 -0.878 1.400) 1.954 2.195 ( 0.328 -0.105 0.104) 0.360 2.311 ( 5.417 3.480 0.990) 6.514 2.321 ( -2.589 -1.280 -6.605) 7.209 2.402 ( 0.080 -4.159 0.060) 4.160 2.533 ( -1.542 -2.121 2.436) 3.579 2.565 ( -1.548 -2.113 0.235) 2.630 2.685 ( -3.080 -0.374 -1.235) 3.339 2.766 ( 0.486 -1.739 3.451) 3.895 2.821 ( 0.903 -3.363 2.278) 4.161 3.014 ( -1.118 1.401 -1.631) 2.423 3.040 ( 0.864 -2.315 1.699) 2.999 3.119 ( -0.068 2.654 0.961) 2.823 3.178 ( -1.387 -3.854 -0.988) 4.213 3.282 ( -4.132 -2.480 1.449) 5.032 3.342 ( 9.000 -1.747 3.904) 9.964 3.376 ( 0.295 1.335 0.973) 1.678 3.525 ( -0.400 0.604 -4.111) 4.174 3.635 ( -1.164 1.222 -5.770) 6.012 3.741 ( -1.482 2.791 -0.430) 3.189 3.836 ( -0.429 0.157 -2.122) 2.171 3.964 ( 1.770 0.484 0.256) 1.853 4.005 ( 0.052 -0.213 3.085) 3.093 4.038 ( -1.141 2.226 1.300) 2.819 4.166 ( 0.219 -1.650 2.533) 3.031 4.403 ( -0.300 -2.358 -2.323) 3.324 4.506 ( 0.353 -3.979 -0.708) 4.057 4.611 ( -0.997 0.655 -1.821) 2.177 5.302 ( 0.959 -0.875 0.098) 1.301 5.333 ( -0.296 0.475 -0.473) 0.733 5.879 ( -0.270 -3.633 0.446) 3.670 6.474 ( -0.366 -0.968 -1.580) 1.889 6.664 ( 0.469 -11.262 1.286) 11.345 6.925 ( 2.245 -12.561 3.587) 13.255 7.132 ( -6.816 -9.263 -6.576) 13.248 7.136 ( 0.951 -23.524 -1.371) 23.583 7.590 ( 8.687 -8.926 11.457) 16.923 9.098 ( -3.684 -1.878 -5.484) 6.868 9.123 ( -1.287 -11.317 -1.438) 11.481 9.262 ( 1.425 -5.392 2.758) 6.222 9.407 ( -2.669 -2.226 -1.004) 3.618 9.513 ( -3.261 3.419 -2.831) 5.508 9.714 ( -2.658 -11.165 -4.799) 12.440 10.087 ( 2.635 3.546 1.015) 4.533 10.611 ( 3.962 0.980 5.466) 6.821 11.288 ( 2.063 8.525 1.765) 8.947 11.713 ( -0.748 27.852 3.074) 28.031 12.081 ( -3.282 4.199 -3.462) 6.355 12.200 ( 1.626 7.979 1.495) 8.280 13.009 ( 0.738 -13.493 -1.567) 13.604 14.191 ( -0.156 3.114 -0.187) 3.124 14.602 ( -0.648 1.919 -0.599) 2.112 16.507 ( 0.753 -15.972 -0.125) 15.991 16.576 ( -0.248 -10.064 -1.208) 10.139 16.928 ( -0.299 3.040 -0.103) 3.056 18.717 ( 0.997 2.719 -0.984) 3.059 18.980 ( 0.133 -4.513 -3.139) 5.499 19.064 ( 0.116 -11.551 1.674) 11.672 19.137 ( -0.616 -7.345 3.921) 8.349 19.709 ( 0.218 6.454 -0.067) 6.458 19.967 ( -0.219 10.959 -3.200) 11.419 21.601 ( 0.186 1.226 -0.062) 1.242 21.778 ( -1.306 3.123 2.432) 4.168 ======================= Grid point 119 (54/115) ======================= q-point: (-0.22 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.531 -4.056 -3.259) 5.230 1.189 ( 0.133 1.408 -2.210) 2.624 1.226 ( -0.047 2.797 0.311) 2.815 1.345 ( -3.422 -6.248 -2.879) 7.684 1.414 ( 1.129 5.455 1.010) 5.661 1.448 ( -1.117 -3.708 -2.904) 4.841 1.473 ( -0.069 -1.847 -1.251) 2.232 1.577 ( 4.008 -4.081 3.085) 6.499 1.630 ( 1.009 3.793 1.903) 4.362 1.658 ( 2.116 1.835 1.960) 3.419 1.778 ( -1.948 -1.141 -4.409) 4.954 1.809 ( -0.423 1.487 -0.898) 1.788 1.920 ( 0.203 1.017 -0.021) 1.037 1.996 ( -0.981 0.441 -3.501) 3.663 2.050 ( 1.080 -1.053 3.289) 3.619 2.087 ( -1.434 -0.644 -2.776) 3.190 2.185 ( 1.821 0.204 -0.380) 1.872 2.312 ( 2.451 -1.624 -1.277) 3.206 2.322 ( 2.569 0.870 -3.993) 4.827 2.447 ( -0.186 -0.272 -2.919) 2.938 2.561 ( -3.748 0.088 -0.129) 3.751 2.590 ( 0.379 -1.886 4.156) 4.579 2.647 ( -1.981 1.418 -0.980) 2.626 2.800 ( -0.491 -0.530 2.796) 2.888 2.867 ( 0.926 -1.637 1.159) 2.210 2.982 ( -0.075 0.870 -0.452) 0.983 3.055 ( 0.714 0.340 1.784) 1.951 3.114 ( -1.788 -0.389 4.239) 4.617 3.198 ( -0.275 1.013 -2.637) 2.838 3.278 ( -5.125 -2.360 1.172) 5.763 3.370 ( 2.557 1.529 2.035) 3.608 3.390 ( 4.773 2.980 -2.165) 6.029 3.510 ( -3.463 -1.791 -1.499) 4.177 3.627 ( -0.513 0.185 -2.631) 2.687 3.696 ( 2.240 2.418 1.323) 3.552 3.818 ( -1.173 -0.143 -1.079) 1.601 3.942 ( -1.031 0.487 0.589) 1.284 3.986 ( -2.230 1.342 -0.408) 2.635 4.042 ( 2.519 -0.500 4.415) 5.108 4.245 ( 2.430 -4.192 0.724) 4.899 4.409 ( -0.344 0.963 -2.658) 2.848 4.549 ( 1.848 -0.905 1.636) 2.629 4.630 ( -2.591 -1.652 -3.011) 4.302 5.309 ( 0.162 1.457 -0.693) 1.622 5.331 ( 0.377 -1.736 -0.477) 1.839 5.930 ( -0.048 -1.326 0.888) 1.596 6.481 ( -0.057 -0.378 -0.710) 0.807 6.814 ( 0.422 -3.434 0.776) 3.546 7.057 ( -0.114 -3.073 -0.506) 3.116 7.241 ( -2.529 -4.246 0.427) 4.960 7.574 ( 0.261 -15.678 -2.538) 15.884 7.745 ( 4.846 0.694 5.612) 7.447 9.103 ( -2.047 -1.604 -2.691) 3.743 9.223 ( -0.483 -1.286 0.827) 1.603 9.305 ( 0.145 0.890 1.612) 1.847 9.411 ( -2.949 -1.136 -1.836) 3.655 9.588 ( 0.234 -7.136 0.897) 7.196 9.858 ( -1.651 -3.461 -2.770) 4.731 10.062 ( 1.867 -0.325 1.234) 2.261 10.644 ( 3.573 -1.173 2.832) 4.708 11.153 ( -2.996 4.982 0.887) 5.881 11.216 ( 0.231 19.253 0.314) 19.257 12.009 ( -1.202 0.917 -1.414) 2.070 12.102 ( 0.797 2.686 0.802) 2.914 13.199 ( 0.355 -5.205 -0.713) 5.266 14.161 ( 0.268 -0.154 -0.066) 0.316 14.578 ( -0.226 0.483 0.025) 0.534 16.710 ( -0.627 -3.736 0.112) 3.790 16.754 ( 1.390 -7.149 -0.487) 7.299 16.880 ( -0.410 1.332 -0.481) 1.474 18.655 ( -0.054 2.655 -0.029) 2.656 18.952 ( 0.027 1.778 -0.889) 1.988 19.312 ( 0.411 -12.581 0.230) 12.590 19.395 ( 0.481 -12.240 1.303) 12.318 19.548 ( 0.657 10.246 0.528) 10.280 19.757 ( -0.446 8.835 -3.839) 9.643 21.583 ( 0.053 0.645 -0.109) 0.656 21.739 ( -0.676 0.433 2.506) 2.632 ======================= Grid point 120 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 3.812 7.676 0.053) 8.571 1.154 ( 2.132 3.409 -2.490) 4.729 1.244 ( -1.054 -1.148 0.287) 1.585 1.275 ( 1.120 5.346 2.012) 5.821 1.415 ( 1.814 1.235 -1.087) 2.449 1.440 ( -3.810 -2.414 -3.957) 6.000 1.569 ( -1.973 -2.601 -0.115) 3.267 1.584 ( 0.777 0.003 -1.004) 1.269 1.601 ( 0.477 1.255 0.685) 1.508 1.716 ( 1.176 -3.222 -0.092) 3.431 1.775 ( 1.879 2.052 -0.638) 2.854 1.787 ( -0.968 -0.943 -3.211) 3.484 1.871 ( -1.071 1.865 -0.502) 2.208 1.977 ( -0.365 0.205 -0.494) 0.647 2.057 ( 1.511 0.684 -1.291) 2.102 2.081 ( -4.626 -0.698 -0.933) 4.771 2.227 ( 0.475 -2.813 -1.692) 3.317 2.304 ( -0.356 -0.362 -7.852) 7.869 2.375 ( 6.806 0.754 0.535) 6.869 2.410 ( 2.239 2.630 -0.871) 3.562 2.515 ( -1.516 1.628 -0.450) 2.269 2.610 ( -0.126 1.125 5.125) 5.249 2.647 ( -0.473 -2.475 1.162) 2.775 2.806 ( -1.850 -0.839 1.707) 2.653 2.912 ( 1.466 -1.204 2.318) 2.996 2.948 ( 1.205 2.394 0.001) 2.680 3.052 ( -1.161 0.546 0.318) 1.322 3.103 ( -5.773 -0.356 2.607) 6.344 3.158 ( 1.388 1.866 -1.527) 2.783 3.290 ( -0.479 3.122 1.778) 3.625 3.326 ( 0.114 1.811 0.782) 1.976 3.360 ( 1.401 1.192 -1.443) 2.338 3.489 ( 3.286 3.139 -1.251) 4.713 3.585 ( -1.947 2.515 -5.245) 6.134 3.698 ( 2.621 -1.264 4.212) 5.119 3.840 ( -0.451 -2.183 -0.663) 2.326 3.918 ( -0.159 2.240 2.897) 3.666 3.980 ( -1.842 -2.406 -2.918) 4.207 4.061 ( 1.179 0.438 4.438) 4.612 4.326 ( -0.184 -1.394 -1.196) 1.846 4.398 ( 1.534 -1.239 0.405) 2.013 4.552 ( -0.140 1.535 -0.057) 1.542 4.607 ( -0.497 2.296 -1.630) 2.859 5.286 ( 0.317 0.845 -0.915) 1.286 5.376 ( -0.675 -2.782 -0.714) 2.951 5.930 ( -0.086 1.420 0.653) 1.565 6.489 ( 0.040 -0.494 -0.105) 0.507 6.809 ( 0.246 4.294 0.383) 4.318 7.074 ( -0.894 0.745 -0.996) 1.531 7.241 ( 0.788 4.258 5.254) 6.809 7.603 ( 0.309 15.881 -1.689) 15.974 7.706 ( -2.712 0.304 -7.362) 7.852 9.116 ( 0.844 -0.027 2.087) 2.251 9.215 ( 0.752 2.163 2.445) 3.350 9.291 ( 0.637 0.333 1.521) 1.682 9.457 ( -0.619 -3.435 4.336) 5.566 9.607 ( 0.967 6.979 2.979) 7.649 9.849 ( 1.382 3.022 2.457) 4.133 10.078 ( -3.664 -2.028 -6.735) 7.931 10.691 ( -0.693 -1.405 -1.571) 2.219 11.001 ( 1.721 3.529 1.968) 4.392 11.149 ( 1.481 -7.452 -2.169) 7.901 12.021 ( 0.437 -1.994 1.850) 2.755 12.111 ( -0.346 -3.322 -0.628) 3.398 13.212 ( -0.106 3.896 -0.768) 3.972 14.194 ( -0.546 -2.950 0.180) 3.005 14.579 ( 0.113 -0.711 0.601) 0.938 16.696 ( 0.019 5.070 1.009) 5.170 16.802 ( -0.390 3.019 -1.648) 3.461 16.869 ( 0.180 -0.838 -0.129) 0.867 18.633 ( -0.022 -0.671 -0.607) 0.906 18.955 ( 0.663 -1.805 0.263) 1.940 19.313 ( 0.797 13.906 1.085) 13.971 19.456 ( -4.194 3.435 -2.589) 6.007 19.580 ( -0.240 -10.687 -0.445) 10.699 19.709 ( 2.818 -5.890 -1.500) 6.700 21.578 ( 0.096 -0.165 -0.126) 0.229 21.760 ( -0.858 -2.528 3.194) 4.162 ======================= Grid point 125 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.287 0.000 2.841) 2.856 0.727 ( 0.332 0.000 -0.785) 0.852 0.893 ( -2.602 -0.000 -5.306) 5.909 0.966 ( -1.914 -0.000 -5.669) 5.983 1.024 ( 1.119 0.000 0.614) 1.276 1.143 ( 5.397 0.000 4.682) 7.145 1.192 ( -0.912 -0.000 -7.310) 7.367 1.457 ( -5.040 -0.000 -3.810) 6.318 1.591 ( 1.822 0.000 2.856) 3.388 1.612 ( -2.133 -0.000 -4.754) 5.211 1.747 ( 1.524 0.000 1.947) 2.472 1.859 ( 1.326 0.000 -2.790) 3.089 1.930 ( 0.458 0.000 0.020) 0.458 1.983 ( 3.230 0.000 11.546) 11.990 2.015 ( -3.179 -0.000 -1.472) 3.503 2.122 ( 4.129 0.000 0.294) 4.140 2.166 ( -1.339 -0.000 -3.183) 3.454 2.244 ( -2.795 -0.000 0.653) 2.870 2.276 ( -0.589 -0.000 0.646) 0.874 2.359 ( 1.434 0.000 -0.140) 1.440 2.362 ( 0.138 0.000 -0.064) 0.152 2.416 ( -2.362 -0.000 1.809) 2.975 2.462 ( -1.161 -0.000 -1.926) 2.249 2.659 ( 1.710 0.000 -0.102) 1.713 2.779 ( -2.624 -0.000 5.842) 6.404 2.796 ( -1.008 -0.000 4.437) 4.550 2.868 ( -2.120 -0.000 1.250) 2.461 3.082 ( 1.481 0.000 0.294) 1.510 3.109 ( 2.455 0.000 -4.213) 4.876 3.200 ( 3.427 0.000 -0.633) 3.485 3.268 ( -3.250 -0.000 0.109) 3.252 3.601 ( 4.797 0.000 -9.241) 10.412 3.679 ( 3.539 0.000 -1.079) 3.699 3.694 ( 1.007 0.000 1.087) 1.481 3.801 ( 6.060 0.000 -1.790) 6.319 3.814 ( -3.285 -0.000 -0.931) 3.415 3.980 ( -2.576 -0.000 1.836) 3.164 4.088 ( -0.045 -0.000 2.739) 2.739 4.122 ( -1.789 -0.000 -1.829) 2.558 4.255 ( 0.420 0.000 -0.190) 0.461 4.358 ( 1.117 0.000 1.917) 2.218 4.367 ( -0.425 -0.000 3.795) 3.819 4.819 ( -3.836 -0.000 -3.759) 5.371 5.238 ( -3.141 -0.000 -5.916) 6.698 5.363 ( 2.155 0.000 1.152) 2.443 5.496 ( 5.283 0.000 9.609) 10.965 5.668 ( 1.430 0.000 1.655) 2.187 5.725 ( -3.438 -0.000 -4.350) 5.545 6.538 ( -0.546 -0.000 -1.439) 1.539 6.568 ( -6.803 -0.000 -10.136) 12.207 6.768 ( 3.751 0.000 5.847) 6.947 7.124 ( 2.744 0.000 5.405) 6.061 8.389 ( 0.360 0.000 0.337) 0.494 8.858 ( -0.793 -0.000 -1.001) 1.277 9.227 ( 0.171 0.000 0.368) 0.406 9.382 ( 0.557 0.000 1.052) 1.191 9.489 ( -3.490 -0.000 -5.466) 6.485 9.765 ( -8.085 -0.000 -3.548) 8.829 10.188 ( -2.378 -0.000 -5.103) 5.629 10.651 ( 2.244 0.000 2.636) 3.462 11.780 ( -0.064 -0.000 -0.072) 0.096 12.019 ( 0.990 0.000 -15.565) 15.596 12.383 ( -2.789 -0.000 -3.162) 4.216 12.509 ( 4.672 0.000 4.729) 6.648 12.951 ( 10.481 0.000 14.611) 17.982 14.314 ( 0.044 0.000 0.020) 0.049 15.139 ( -5.465 -0.000 -11.046) 12.324 15.694 ( -0.697 -0.000 -1.242) 1.424 15.806 ( 0.640 0.000 1.141) 1.309 17.080 ( -0.142 -0.000 0.013) 0.142 18.258 ( -0.055 -0.000 -0.070) 0.089 18.378 ( 0.064 0.000 0.045) 0.079 18.984 ( -0.340 -0.000 3.520) 3.537 19.309 ( -3.568 -0.000 4.019) 5.374 19.889 ( 0.853 0.000 -2.321) 2.472 20.461 ( -4.014 -0.000 -3.573) 5.374 21.669 ( 0.584 0.000 0.353) 0.682 21.977 ( -3.785 -0.000 4.366) 5.779 ======================= Grid point 126 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.438 -16.737 2.021) 16.864 0.811 ( -0.006 -6.672 0.338) 6.681 0.914 ( -11.387 -3.408 -11.168) 16.309 1.023 ( -3.045 -7.850 -2.423) 8.762 1.091 ( 7.351 -3.899 1.987) 8.555 1.238 ( 0.942 -7.600 -3.998) 8.639 1.317 ( 4.315 -9.152 2.192) 10.353 1.447 ( -3.387 -3.789 -5.036) 7.155 1.548 ( 0.998 1.293 1.102) 1.970 1.729 ( -0.789 -5.706 -0.971) 5.842 1.802 ( 0.733 -3.037 -1.177) 3.339 1.837 ( -0.412 -0.929 -0.942) 1.386 1.927 ( 0.023 0.445 -0.568) 0.722 1.979 ( -1.810 1.125 4.239) 4.744 1.996 ( -2.294 -0.102 1.629) 2.815 2.062 ( -1.092 5.745 0.536) 5.872 2.150 ( 3.997 0.856 -0.185) 4.092 2.220 ( 0.668 0.209 -0.476) 0.847 2.343 ( 4.988 -3.373 -0.697) 6.061 2.378 ( -0.901 0.344 1.796) 2.039 2.430 ( 0.345 -3.814 1.337) 4.056 2.468 ( 0.845 -8.640 1.605) 8.828 2.607 ( -0.746 -9.090 -1.975) 9.332 2.651 ( 1.262 1.424 1.088) 2.192 2.724 ( -3.040 2.927 0.018) 4.220 2.769 ( -1.274 -1.822 5.546) 5.975 2.983 ( -1.214 -7.979 2.319) 8.398 3.079 ( 0.041 0.934 0.641) 1.134 3.121 ( 1.086 -0.944 -2.360) 2.764 3.189 ( 0.418 2.112 0.683) 2.259 3.252 ( 0.801 -0.153 0.850) 1.178 3.595 ( 2.234 2.068 -9.144) 9.637 3.617 ( 0.351 5.245 -0.804) 5.318 3.720 ( -0.137 0.693 -0.756) 1.034 3.784 ( -3.572 -1.116 -2.428) 4.461 3.841 ( 5.117 0.879 0.014) 5.192 3.966 ( -1.255 -0.108 3.023) 3.275 4.048 ( 1.372 2.773 2.736) 4.130 4.163 ( -1.914 -3.665 -2.126) 4.650 4.259 ( -1.305 4.375 0.223) 4.571 4.265 ( -1.584 3.884 -0.099) 4.196 4.354 ( 1.580 0.112 1.705) 2.327 4.758 ( -2.616 2.580 -3.607) 5.149 5.272 ( -0.271 -2.899 -0.533) 2.960 5.336 ( 1.329 3.314 1.325) 3.809 5.678 ( -2.142 -5.045 -3.129) 6.312 5.753 ( 4.719 -22.566 3.858) 23.375 5.981 ( 2.047 -18.519 4.318) 19.126 6.513 ( -1.376 -0.387 -3.001) 3.324 6.620 ( -6.228 -8.805 -8.110) 13.494 6.849 ( 1.002 -4.292 1.414) 4.629 7.218 ( 6.666 -6.192 9.381) 13.068 8.505 ( 0.153 -11.070 0.146) 11.072 8.900 ( -1.162 -4.737 -1.814) 5.204 9.233 ( -0.035 0.253 -0.119) 0.282 9.400 ( -0.374 -2.226 -0.084) 2.258 9.443 ( -4.322 0.717 -5.254) 6.841 9.669 ( -7.956 2.863 -6.616) 10.736 10.165 ( 1.438 1.077 -1.778) 2.527 10.665 ( 4.047 1.058 3.129) 5.224 11.668 ( 0.729 8.299 -3.821) 9.166 12.185 ( -1.427 -10.859 -5.134) 12.095 12.324 ( -4.910 -0.083 -4.693) 6.793 12.488 ( 3.767 4.548 2.681) 6.485 12.859 ( 7.393 17.086 12.938) 22.671 14.308 ( 0.046 0.922 0.072) 0.926 14.893 ( -2.393 13.975 -6.524) 15.607 15.829 ( 0.705 -12.943 -0.635) 12.978 16.021 ( -0.160 -15.941 -2.109) 16.081 17.053 ( -0.485 2.286 -0.076) 2.338 18.388 ( 1.052 -11.759 -1.714) 11.930 18.482 ( 0.458 -10.064 0.240) 10.077 18.960 ( -1.017 2.356 4.471) 5.155 19.258 ( -3.278 3.134 2.639) 5.247 19.868 ( 0.607 2.155 -1.889) 2.929 20.362 ( -2.099 6.782 -3.585) 7.953 21.659 ( 0.265 1.279 0.373) 1.359 21.930 ( -2.193 3.059 3.519) 5.153 ======================= Grid point 127 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -4.192 -3.986 -1.102) 5.889 0.946 ( -7.360 -9.303 -7.608) 14.093 1.012 ( -2.864 -8.974 -1.520) 9.541 1.158 ( 0.806 -10.280 2.086) 10.520 1.244 ( 5.901 -5.943 1.959) 8.601 1.401 ( -1.027 -2.604 -5.995) 6.616 1.422 ( 1.064 -4.970 -1.246) 5.233 1.541 ( 0.780 0.213 -0.678) 1.055 1.618 ( 3.217 -8.568 1.325) 9.248 1.786 ( 2.860 -3.786 -0.369) 4.760 1.839 ( -4.000 0.585 -4.184) 5.818 1.860 ( 1.357 3.494 0.799) 3.832 1.882 ( 0.227 0.359 0.077) 0.432 1.921 ( -1.660 3.128 0.611) 3.593 2.014 ( -1.146 -1.984 2.512) 3.400 2.028 ( -3.450 -2.166 5.111) 6.535 2.177 ( 2.073 -2.399 -3.575) 4.779 2.247 ( 1.228 -2.096 -2.094) 3.207 2.366 ( 1.241 -0.047 0.297) 1.277 2.429 ( 6.380 1.274 -0.174) 6.508 2.493 ( -0.467 -1.384 2.852) 3.205 2.543 ( -0.495 1.982 -1.964) 2.834 2.642 ( -1.457 -2.130 1.381) 2.927 2.721 ( 0.526 -6.407 1.942) 6.715 2.738 ( 1.361 -2.257 2.733) 3.797 2.909 ( -2.098 -9.420 1.023) 9.704 3.049 ( 0.519 1.398 -0.091) 1.494 3.093 ( -4.502 -4.312 -0.695) 6.273 3.131 ( -0.428 -0.062 -0.553) 0.702 3.224 ( -2.460 -4.624 3.591) 6.351 3.286 ( 5.039 -1.247 3.136) 6.065 3.476 ( -0.486 5.531 -2.087) 5.932 3.568 ( 2.645 2.125 -5.150) 6.167 3.660 ( -3.049 3.323 -3.702) 5.835 3.751 ( -5.365 1.798 -3.417) 6.610 3.843 ( 1.947 0.132 -0.625) 2.049 3.984 ( -1.138 -1.336 1.802) 2.516 4.011 ( 1.830 2.643 2.839) 4.288 4.104 ( 1.250 4.505 0.139) 4.678 4.177 ( -0.539 1.761 3.291) 3.772 4.339 ( -3.074 -5.991 -2.029) 7.032 4.371 ( 1.720 -3.588 -2.221) 4.556 4.674 ( -0.989 4.187 -2.229) 4.846 5.290 ( -0.954 -0.450 0.565) 1.196 5.337 ( 2.908 -0.523 0.412) 2.984 5.777 ( -1.336 -5.969 -1.529) 6.305 6.329 ( 3.990 -22.286 -1.032) 22.664 6.385 ( 1.162 -18.006 4.385) 18.568 6.568 ( 2.584 -11.177 2.848) 11.820 6.801 ( -4.610 -14.085 -4.924) 15.617 6.923 ( -2.942 -4.552 -3.860) 6.654 7.473 ( 9.152 -10.673 11.410) 18.107 8.797 ( -0.585 -17.297 -0.668) 17.319 8.988 ( -3.268 -4.816 -5.101) 7.739 9.221 ( 0.772 -0.323 1.157) 1.428 9.393 ( -3.330 0.988 -2.361) 4.200 9.481 ( -4.138 -6.572 -5.222) 9.358 9.556 ( -3.909 1.937 -3.429) 5.549 10.158 ( 3.723 1.636 -0.034) 4.066 10.677 ( 4.879 1.412 4.069) 6.508 11.489 ( 0.480 9.630 -0.374) 9.650 12.145 ( -3.932 4.978 -3.734) 7.362 12.218 ( -4.026 18.758 7.821) 20.718 12.416 ( -0.652 12.350 0.407) 12.374 12.724 ( 4.548 -11.784 -1.600) 12.732 14.266 ( 0.507 3.515 -0.100) 3.553 14.667 ( -1.053 6.317 -2.437) 6.852 16.165 ( 1.978 -18.350 0.223) 18.458 16.326 ( 0.235 -14.466 -2.794) 14.735 16.990 ( -0.706 3.382 -0.034) 3.455 18.649 ( 1.538 -11.747 -3.674) 12.404 18.761 ( 3.366 -14.526 -1.721) 15.010 18.915 ( -1.188 0.003 6.707) 6.811 19.160 ( -2.513 4.474 1.776) 5.431 19.811 ( 0.837 3.811 -0.892) 4.002 20.172 ( -1.357 10.223 -3.387) 10.854 21.630 ( -0.019 1.563 0.172) 1.573 21.849 ( -0.885 4.159 2.829) 5.107 ======================= Grid point 128 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.513 -5.329 -0.401) 5.905 1.079 ( -6.102 -10.027 -5.700) 13.049 1.149 ( -2.026 -7.516 -2.321) 8.123 1.300 ( 1.346 -0.913 3.001) 3.413 1.396 ( -1.567 -0.272 -6.757) 6.941 1.422 ( 4.380 -6.411 -0.418) 7.776 1.466 ( 2.564 1.113 2.227) 3.574 1.556 ( 1.444 -1.201 0.563) 1.961 1.710 ( 0.326 -1.134 -0.531) 1.294 1.738 ( 2.081 5.412 1.181) 5.917 1.779 ( -1.211 4.891 -0.084) 5.039 1.820 ( -2.161 1.177 -1.182) 2.730 1.918 ( 0.491 -1.378 0.964) 1.752 1.972 ( 2.187 -4.470 -2.755) 5.689 2.026 ( -0.314 -0.606 2.418) 2.512 2.063 ( -0.977 -2.975 1.129) 3.329 2.213 ( 2.019 0.184 0.015) 2.028 2.261 ( -3.179 0.114 -6.707) 7.423 2.390 ( 1.640 -1.278 0.879) 2.257 2.416 ( 4.952 0.781 -2.997) 5.841 2.506 ( -1.744 -1.077 3.651) 4.187 2.559 ( -0.057 -1.037 -0.811) 1.318 2.641 ( -2.038 -0.832 -0.363) 2.231 2.788 ( 0.310 -1.524 3.225) 3.581 2.847 ( 2.298 -2.567 1.949) 3.958 2.984 ( -2.473 -0.380 -1.287) 2.814 3.051 ( -0.201 -1.266 2.220) 2.563 3.123 ( -0.613 0.176 2.119) 2.213 3.153 ( -1.195 -2.937 -1.735) 3.614 3.228 ( -4.220 0.708 1.273) 4.464 3.361 ( -2.363 -4.550 1.600) 5.371 3.452 ( 1.380 -0.259 1.706) 2.210 3.495 ( 2.606 4.866 -3.488) 6.529 3.614 ( -0.201 -0.884 -4.928) 5.011 3.703 ( -3.786 -1.204 0.085) 3.974 3.846 ( 1.833 1.701 -0.487) 2.548 3.940 ( -3.266 1.323 0.364) 3.542 4.020 ( -1.011 2.702 0.275) 2.898 4.042 ( 2.565 -0.324 1.900) 3.209 4.199 ( 2.670 -2.096 2.301) 4.101 4.385 ( -1.461 -2.489 -2.296) 3.688 4.512 ( 0.660 -6.632 -1.284) 6.787 4.589 ( -0.846 2.775 -1.399) 3.220 5.300 ( -0.737 -0.804 0.005) 1.091 5.350 ( 2.471 1.034 -0.381) 2.706 5.874 ( -0.648 -4.319 -0.004) 4.368 6.466 ( 0.062 -1.165 -1.561) 1.949 6.682 ( 1.250 -10.581 2.714) 10.995 6.961 ( 0.820 -6.124 -0.552) 6.203 7.043 ( -3.133 -13.520 -1.562) 13.966 7.154 ( 2.307 -25.524 -0.291) 25.630 7.731 ( 6.923 -6.880 8.748) 13.107 9.013 ( -5.094 -2.733 -7.095) 9.152 9.108 ( -0.617 -12.246 -0.330) 12.266 9.292 ( 1.652 -4.117 1.682) 4.744 9.355 ( -4.237 -0.022 -0.884) 4.328 9.478 ( -0.742 -1.863 -0.273) 2.024 9.656 ( -3.246 -9.936 -5.587) 11.853 10.143 ( 4.605 2.836 1.532) 5.621 10.686 ( 4.499 1.526 3.743) 6.048 11.293 ( -2.353 9.726 3.164) 10.495 11.673 ( -6.304 26.767 1.720) 27.553 12.035 ( -1.903 3.355 -2.105) 4.394 12.221 ( 0.877 7.877 0.530) 7.944 13.020 ( 1.575 -12.729 -1.570) 12.922 14.198 ( 1.274 3.206 -0.193) 3.455 14.592 ( -0.513 1.499 -0.575) 1.686 16.516 ( 0.349 -14.462 0.508) 14.475 16.582 ( 1.947 -11.183 -1.918) 11.512 16.920 ( -0.694 2.966 -0.087) 3.047 18.722 ( 0.115 3.104 -0.755) 3.197 18.970 ( -0.366 -4.345 -2.516) 5.034 19.071 ( -0.124 -8.092 1.099) 8.167 19.164 ( 3.406 -10.979 3.725) 12.084 19.719 ( 1.293 6.432 -0.083) 6.561 19.944 ( -1.775 10.752 -3.444) 11.428 21.601 ( -0.149 1.222 -0.034) 1.231 21.775 ( -0.207 3.075 2.509) 3.974 ======================= Grid point 129 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.966 -7.103 -0.889) 7.223 1.182 ( 0.546 -0.246 -4.551) 4.590 1.242 ( 1.695 3.265 2.248) 4.311 1.287 ( -3.757 -6.031 -1.604) 7.284 1.389 ( -1.504 -0.944 -4.411) 4.755 1.464 ( 1.674 -0.911 -0.662) 2.017 1.487 ( 2.356 2.471 1.926) 3.920 1.626 ( 1.643 -0.594 1.569) 2.348 1.636 ( -1.036 1.069 1.509) 2.120 1.684 ( 0.182 3.698 -0.452) 3.730 1.748 ( 0.403 -2.321 -2.934) 3.762 1.815 ( 1.415 0.050 -0.340) 1.457 1.919 ( 0.203 2.648 -0.548) 2.712 1.964 ( -1.590 -0.325 -2.209) 2.741 2.038 ( -2.390 -0.115 0.273) 2.408 2.088 ( 1.074 1.592 0.751) 2.062 2.211 ( 2.030 0.579 -1.035) 2.351 2.286 ( -0.001 -2.683 -7.688) 8.143 2.426 ( 7.515 0.617 2.346) 7.897 2.430 ( -0.911 -1.234 -5.315) 5.532 2.514 ( -2.244 -0.296 1.937) 2.979 2.580 ( -2.466 -2.626 0.206) 3.609 2.637 ( -0.298 0.686 2.451) 2.563 2.795 ( -0.665 0.351 1.389) 1.579 2.897 ( 2.243 -1.715 2.548) 3.803 2.978 ( -0.271 -0.154 -0.486) 0.577 3.044 ( -4.096 0.713 2.036) 4.630 3.092 ( -1.983 1.910 1.720) 3.246 3.194 ( 0.347 0.351 -0.803) 0.943 3.226 ( -1.622 -4.281 0.776) 4.644 3.378 ( -2.317 3.712 -0.023) 4.376 3.432 ( 3.114 -1.231 0.323) 3.364 3.508 ( 1.285 -0.544 -0.507) 1.485 3.601 ( -1.223 1.383 -2.056) 2.763 3.735 ( 1.628 -1.527 2.689) 3.495 3.805 ( 0.068 1.918 -0.540) 1.994 3.921 ( -1.704 -0.984 -0.947) 2.184 3.966 ( -0.823 1.767 -0.478) 2.007 4.067 ( -0.393 -0.580 2.984) 3.066 4.280 ( 2.181 -3.179 -0.507) 3.888 4.394 ( -0.783 -0.040 -1.916) 2.070 4.557 ( -1.774 0.184 -1.568) 2.375 4.611 ( 1.747 -2.455 0.432) 3.044 5.305 ( -0.279 0.099 -0.572) 0.644 5.341 ( 1.301 0.451 -0.561) 1.487 5.930 ( -0.336 -1.468 0.520) 1.593 6.480 ( 0.215 -0.472 -0.539) 0.748 6.829 ( 1.016 -3.047 2.067) 3.819 7.031 ( -2.111 -3.212 -3.674) 5.317 7.236 ( 0.305 -5.734 3.999) 6.998 7.572 ( 0.672 -12.941 -2.799) 13.257 7.814 ( 2.923 3.980 3.226) 5.898 9.045 ( -3.596 -4.413 -4.300) 7.134 9.247 ( 1.750 -2.213 3.675) 4.634 9.310 ( -0.482 0.960 1.961) 2.236 9.378 ( -0.808 -3.638 -0.559) 3.768 9.604 ( 1.153 -6.809 2.800) 7.452 9.796 ( -4.515 -6.021 -6.216) 9.761 10.113 ( 4.059 3.587 2.318) 5.892 10.689 ( 1.747 0.830 0.594) 2.023 11.099 ( -4.828 5.849 1.200) 7.679 11.218 ( -0.334 14.875 0.563) 14.889 11.994 ( -0.465 -0.321 -0.710) 0.907 12.113 ( 0.453 3.324 0.336) 3.371 13.203 ( 0.557 -4.772 -0.719) 4.858 14.168 ( 0.774 0.511 -0.051) 0.928 14.575 ( -0.234 0.174 0.090) 0.305 16.700 ( -0.725 -4.648 0.341) 4.717 16.777 ( 1.992 -5.624 -0.861) 6.028 16.872 ( -0.471 1.248 -0.297) 1.366 18.653 ( -0.227 2.655 0.106) 2.666 18.948 ( -0.212 1.108 -0.985) 1.498 19.317 ( -0.000 -13.050 0.259) 13.053 19.415 ( 2.172 -8.865 1.214) 9.208 19.563 ( 1.260 10.268 0.501) 10.358 19.732 ( -1.478 7.668 -3.950) 8.751 21.582 ( -0.083 0.563 -0.126) 0.582 21.740 ( -0.292 0.600 2.626) 2.710 ======================= Grid point 135 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -3.170 -0.000 1.473) 3.496 0.740 ( 1.498 0.000 0.458) 1.566 0.774 ( -14.576 -0.000 -14.829) 20.793 0.844 ( -1.805 -0.000 -4.386) 4.743 1.107 ( 2.881 0.000 1.693) 3.342 1.181 ( 0.701 0.000 0.349) 0.783 1.235 ( 5.288 0.000 5.047) 7.310 1.381 ( -3.731 -0.000 -5.440) 6.597 1.565 ( -2.542 -0.000 -4.744) 5.383 1.622 ( 1.306 0.000 3.130) 3.392 1.764 ( 0.334 0.000 0.954) 1.011 1.853 ( -0.444 -0.000 -3.609) 3.636 1.929 ( -0.942 -0.000 -0.724) 1.188 1.964 ( -0.838 -0.000 -2.073) 2.236 2.009 ( -2.569 -0.000 8.316) 8.704 2.121 ( -2.355 -0.000 -3.607) 4.308 2.188 ( 0.694 0.000 -1.353) 1.521 2.274 ( 8.264 0.000 5.389) 9.866 2.281 ( 0.776 0.000 0.668) 1.024 2.360 ( -0.243 -0.000 0.080) 0.256 2.382 ( 0.115 0.000 0.731) 0.740 2.442 ( -0.629 -0.000 -2.614) 2.689 2.448 ( 6.544 0.000 1.110) 6.637 2.684 ( 1.831 0.000 0.462) 1.888 2.737 ( -3.507 -0.000 3.898) 5.244 2.825 ( 0.113 0.000 6.674) 6.675 2.845 ( -1.743 -0.000 0.771) 1.906 3.083 ( -1.472 -0.000 0.095) 1.475 3.127 ( 1.959 0.000 -3.217) 3.766 3.216 ( -2.518 -0.000 -0.465) 2.561 3.254 ( 2.816 0.000 0.053) 2.816 3.610 ( -0.028 -0.000 -8.482) 8.482 3.692 ( -0.207 -0.000 -1.450) 1.465 3.710 ( 0.680 0.000 1.525) 1.669 3.726 ( -6.128 -0.000 -3.942) 7.287 3.898 ( 6.743 0.000 -0.255) 6.748 3.955 ( -2.660 -0.000 4.006) 4.809 4.084 ( -2.474 -0.000 -2.662) 3.634 4.097 ( 0.212 0.000 1.877) 1.889 4.255 ( -0.447 -0.000 -0.277) 0.526 4.368 ( 0.384 0.000 2.334) 2.365 4.394 ( 1.368 0.000 4.539) 4.741 4.746 ( -4.552 -0.000 -5.335) 7.013 5.190 ( -1.847 -0.000 -3.149) 3.651 5.402 ( 2.756 0.000 2.260) 3.564 5.543 ( -0.415 -0.000 0.444) 0.608 5.678 ( -1.452 -0.000 -6.275) 6.441 5.755 ( 7.875 0.000 12.375) 14.668 6.436 ( -7.589 -0.000 -12.351) 14.497 6.523 ( -0.881 -0.000 -1.455) 1.701 6.831 ( 3.253 0.000 4.051) 5.196 7.198 ( 4.809 0.000 6.701) 8.248 8.396 ( 0.499 0.000 0.575) 0.762 8.843 ( -0.810 -0.000 -1.354) 1.578 9.232 ( 0.282 0.000 0.448) 0.529 9.393 ( 0.351 0.000 1.253) 1.301 9.400 ( -5.839 -0.000 -6.662) 8.859 9.624 ( -9.285 -0.000 -10.621) 14.107 10.194 ( 3.922 0.000 0.035) 3.922 10.710 ( 4.910 0.000 0.833) 4.980 11.778 ( -0.144 -0.000 -0.110) 0.181 11.975 ( -1.449 -0.000 -9.439) 9.550 12.302 ( -6.268 -0.000 -5.333) 8.230 12.568 ( 2.367 0.000 0.773) 2.490 13.125 ( 7.381 0.000 17.364) 18.868 14.315 ( -0.019 -0.000 0.026) 0.032 15.070 ( -0.010 -0.000 -13.209) 13.209 15.681 ( -0.535 -0.000 -1.276) 1.384 15.818 ( 0.551 0.000 1.162) 1.286 17.072 ( -0.840 -0.000 -0.245) 0.875 18.257 ( 0.002 0.000 -0.083) 0.083 18.379 ( -0.021 -0.000 0.055) 0.059 18.983 ( -1.450 -0.000 4.847) 5.059 19.271 ( -3.463 -0.000 2.837) 4.477 19.891 ( 0.509 0.000 -2.343) 2.398 20.411 ( -1.693 -0.000 -4.463) 4.773 21.674 ( -0.065 -0.000 0.532) 0.536 21.957 ( -0.969 -0.000 3.924) 4.042 ======================= Grid point 136 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -10.555 -8.990 -8.794) 16.418 0.726 ( -6.469 -13.622 -2.806) 15.339 0.823 ( 0.568 -5.700 0.932) 5.804 0.986 ( -1.829 -7.844 0.850) 8.100 1.160 ( 0.714 -8.165 -2.767) 8.651 1.243 ( 1.905 -5.780 -0.452) 6.103 1.345 ( -0.065 -2.524 -4.291) 4.979 1.428 ( 1.849 -9.585 2.386) 10.049 1.567 ( 0.951 -0.654 0.780) 1.393 1.693 ( -2.990 -5.871 -2.531) 7.058 1.790 ( -0.608 -0.052 -2.728) 2.795 1.848 ( 1.090 -2.587 1.994) 3.443 1.917 ( -1.134 0.014 -0.676) 1.320 1.957 ( -1.428 -0.349 -0.698) 1.628 1.976 ( -2.544 1.813 5.069) 5.954 2.044 ( -0.967 4.641 0.940) 4.833 2.175 ( 2.271 1.208 -4.905) 5.539 2.271 ( 4.202 1.149 2.463) 5.005 2.376 ( 0.246 -0.176 0.479) 0.566 2.413 ( 4.406 -6.019 1.286) 7.570 2.473 ( 4.648 -0.066 0.700) 4.701 2.495 ( 2.528 -8.938 2.698) 9.673 2.592 ( -0.279 -9.042 -2.141) 9.296 2.666 ( -1.447 2.539 0.629) 2.989 2.702 ( 2.314 0.675 -0.117) 2.413 2.778 ( -0.206 -0.497 6.248) 6.271 2.956 ( -3.254 -6.108 0.538) 6.941 3.066 ( -1.943 0.276 0.014) 1.963 3.122 ( -0.221 -0.074 -0.156) 0.280 3.179 ( -1.492 1.614 0.323) 2.222 3.295 ( 3.950 -1.880 0.988) 4.485 3.565 ( -2.330 3.624 -8.003) 9.088 3.607 ( -4.203 2.578 0.680) 4.978 3.672 ( -2.622 1.978 -2.806) 4.320 3.745 ( -1.650 -0.299 -2.681) 3.162 3.899 ( 2.557 3.568 -0.139) 4.392 3.952 ( -2.384 -0.886 2.795) 3.779 4.070 ( 0.628 1.646 2.716) 3.237 4.136 ( -0.846 -4.407 -1.293) 4.670 4.221 ( -2.522 0.470 -1.326) 2.888 4.279 ( 1.958 8.400 2.312) 8.930 4.374 ( 0.794 1.070 -0.026) 1.332 4.708 ( -2.919 0.545 -3.358) 4.483 5.263 ( -0.696 -2.728 -0.468) 2.854 5.375 ( 3.610 2.186 1.417) 4.452 5.637 ( -2.243 -6.341 -2.744) 7.264 5.834 ( 5.800 -22.667 1.021) 23.420 6.051 ( 5.001 -17.144 8.396) 19.734 6.455 ( -5.147 -7.336 -8.753) 12.527 6.538 ( -2.411 -3.880 -2.995) 5.463 6.866 ( 1.101 -1.030 1.050) 1.837 7.339 ( 6.510 -8.965 7.527) 13.395 8.508 ( 0.208 -10.567 0.190) 10.570 8.877 ( -1.207 -3.779 -2.078) 4.478 9.229 ( -0.480 0.603 -1.132) 1.370 9.364 ( -3.905 -1.520 -3.218) 5.283 9.384 ( -2.521 0.575 -2.126) 3.348 9.541 ( -6.701 0.376 -7.269) 9.894 10.217 ( 5.794 1.102 0.839) 5.957 10.737 ( 5.231 0.749 0.188) 5.288 11.655 ( -1.500 7.832 -2.065) 8.238 12.161 ( -0.680 -10.804 -0.088) 10.826 12.221 ( -7.271 -0.267 -6.272) 9.607 12.523 ( 0.914 4.963 -0.011) 5.047 12.965 ( 1.949 20.085 11.711) 23.331 14.311 ( 0.219 0.719 0.071) 0.755 14.853 ( -0.737 13.197 -7.758) 15.326 15.849 ( 2.603 -14.189 -0.580) 14.438 16.017 ( 0.594 -15.505 -2.900) 15.785 17.042 ( -1.101 2.218 -0.092) 2.478 18.408 ( 2.605 -12.018 -2.064) 12.469 18.494 ( 1.559 -12.045 -0.199) 12.147 18.956 ( -1.696 2.260 5.905) 6.546 19.222 ( -3.039 2.949 2.620) 4.980 19.871 ( 0.669 1.872 -1.809) 2.688 20.326 ( -1.591 6.535 -4.545) 8.117 21.659 ( -0.406 1.295 0.395) 1.414 21.928 ( 0.316 3.155 4.096) 5.180 ======================= Grid point 137 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -8.257 -11.789 -6.845) 15.938 0.870 ( -7.690 -4.599 1.216) 9.043 0.973 ( -1.144 -7.996 -0.598) 8.099 1.187 ( 1.993 -12.247 3.275) 12.833 1.318 ( 2.968 -5.762 -1.963) 6.772 1.365 ( 0.543 -1.541 -6.039) 6.256 1.439 ( 1.789 -8.529 -1.928) 8.925 1.546 ( 0.712 0.953 -0.541) 1.307 1.669 ( 2.364 -5.768 3.291) 7.049 1.758 ( -4.735 -3.956 -3.959) 7.331 1.813 ( 0.587 -4.258 0.781) 4.369 1.867 ( -1.928 0.951 0.732) 2.271 1.877 ( 0.059 4.676 -0.040) 4.676 1.921 ( 1.596 1.680 0.179) 2.324 1.989 ( -3.846 -1.927 3.777) 5.724 2.018 ( 0.403 -2.414 3.263) 4.079 2.183 ( 0.807 -2.199 -7.379) 7.742 2.271 ( 2.455 1.670 0.316) 2.986 2.391 ( 1.773 0.160 0.420) 1.829 2.451 ( -1.185 2.913 0.551) 3.193 2.519 ( 1.138 1.533 -4.219) 4.631 2.558 ( 3.109 -3.591 1.052) 4.865 2.666 ( 5.671 3.619 2.841) 7.303 2.746 ( 1.383 -5.283 1.500) 5.663 2.777 ( 2.971 -4.958 3.974) 7.014 2.873 ( -3.216 -7.894 0.913) 8.573 3.031 ( -4.079 -4.449 -0.670) 6.073 3.054 ( 0.031 -1.004 1.028) 1.437 3.123 ( -1.015 0.371 -0.239) 1.107 3.191 ( -3.485 -4.171 2.769) 6.099 3.324 ( -0.952 3.370 -0.655) 3.562 3.460 ( -0.534 0.685 -1.127) 1.423 3.570 ( -4.121 0.321 -0.090) 4.135 3.614 ( 0.983 1.935 -3.690) 4.281 3.650 ( -6.500 3.113 -6.905) 9.981 3.863 ( 0.735 0.346 0.970) 1.265 3.944 ( -3.840 0.541 2.111) 4.415 4.052 ( 1.149 1.089 1.508) 2.186 4.134 ( 4.040 5.028 -0.471) 6.467 4.203 ( 1.847 0.345 5.358) 5.678 4.290 ( -2.906 -5.427 -2.084) 6.499 4.384 ( 1.217 -4.199 -3.312) 5.485 4.653 ( -1.022 3.265 -1.911) 3.918 5.278 ( -0.801 -0.874 0.197) 1.202 5.384 ( 3.587 0.541 0.162) 3.632 5.752 ( -1.485 -6.727 -1.189) 6.990 6.379 ( 3.812 -13.050 -1.010) 13.633 6.429 ( 3.122 -17.242 2.391) 17.684 6.627 ( 4.838 -18.914 3.450) 19.825 6.723 ( -4.230 -17.419 -3.908) 18.346 6.895 ( -0.432 -2.082 -1.349) 2.518 7.605 ( 5.719 -10.938 6.278) 13.848 8.788 ( -0.500 -16.644 -0.386) 16.656 8.926 ( -3.148 -2.351 -4.403) 5.902 9.231 ( 0.180 -2.114 -0.487) 2.177 9.334 ( -4.458 0.269 -1.969) 4.881 9.409 ( -2.842 -4.404 -1.958) 5.595 9.518 ( -1.394 -1.662 -1.567) 2.676 10.227 ( 6.003 2.155 0.159) 6.380 10.753 ( 5.002 1.294 0.875) 5.240 11.472 ( -3.127 9.071 1.058) 9.653 12.059 ( -8.466 10.380 -2.653) 13.655 12.161 ( -6.229 14.327 7.395) 17.284 12.402 ( -1.137 9.286 -0.785) 9.388 12.774 ( 3.356 -8.946 -2.353) 9.840 14.279 ( 1.296 3.023 -0.078) 3.290 14.652 ( -0.151 5.746 -1.978) 6.078 16.202 ( 2.856 -17.476 1.216) 17.749 16.328 ( 1.818 -14.919 -4.409) 15.663 16.978 ( -1.019 3.228 0.148) 3.388 18.656 ( 0.944 -11.431 -2.942) 11.841 18.808 ( 3.834 -9.414 -3.813) 10.856 18.938 ( 2.333 -4.810 5.770) 7.866 19.139 ( -1.287 3.412 3.875) 5.321 19.824 ( 1.404 3.420 -0.919) 3.810 20.134 ( -2.715 10.154 -3.748) 11.159 21.627 ( -0.479 1.511 0.106) 1.588 21.859 ( 0.775 4.458 3.674) 5.829 ======================= Grid point 138 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.122 -7.014 0.440) 8.696 0.994 ( -3.877 -12.889 -2.246) 13.646 1.115 ( -1.918 -7.547 0.015) 7.787 1.343 ( 2.918 0.164 4.138) 5.066 1.351 ( -1.414 -0.793 -9.292) 9.433 1.465 ( 3.172 -2.910 -2.645) 5.052 1.517 ( 2.616 0.448 1.365) 2.984 1.572 ( 1.485 -3.767 1.329) 4.261 1.687 ( -2.014 -0.675 -4.015) 4.542 1.753 ( -0.623 6.391 2.757) 6.989 1.775 ( -0.409 2.940 -0.697) 3.049 1.810 ( 0.995 -0.340 0.242) 1.079 1.924 ( 0.317 -1.320 -0.140) 1.364 1.969 ( -0.248 -0.323 -1.271) 1.335 2.035 ( -0.243 0.313 1.772) 1.816 2.070 ( 0.803 -8.535 2.846) 9.033 2.194 ( -2.985 -0.066 -6.568) 7.215 2.251 ( 2.813 1.343 0.472) 3.152 2.370 ( -2.341 -0.824 -3.318) 4.144 2.450 ( 1.228 -1.440 -3.347) 3.845 2.511 ( -0.372 -1.019 -1.179) 1.602 2.594 ( 4.399 5.312 4.278) 8.116 2.629 ( -0.432 -1.038 1.636) 1.984 2.799 ( 0.824 -0.908 1.961) 2.313 2.886 ( 2.013 -1.796 -0.175) 2.704 2.953 ( -1.199 -2.312 1.251) 2.889 3.032 ( -4.164 1.020 3.183) 5.340 3.111 ( -0.382 -0.640 -2.372) 2.486 3.146 ( -0.054 -4.785 1.326) 4.966 3.186 ( -2.061 1.806 1.422) 3.087 3.319 ( -3.768 -5.718 0.589) 6.873 3.445 ( -0.738 1.557 1.124) 2.057 3.533 ( 1.573 0.968 -4.531) 4.893 3.582 ( -3.896 -0.849 -1.243) 4.176 3.658 ( -1.378 -4.298 -0.738) 4.574 3.858 ( -0.778 0.935 0.411) 1.284 3.905 ( -2.177 0.819 1.732) 2.900 4.008 ( -0.333 3.285 -1.268) 3.537 4.093 ( 3.790 2.710 2.890) 5.483 4.240 ( 2.598 -2.469 0.354) 3.601 4.357 ( -1.300 -2.893 -1.617) 3.560 4.502 ( -1.404 -5.099 -2.158) 5.712 4.592 ( 1.394 1.001 -0.164) 1.724 5.291 ( -0.458 -0.675 -0.193) 0.838 5.385 ( 2.637 1.575 -0.589) 3.127 5.864 ( -0.775 -4.928 0.171) 4.991 6.468 ( 0.692 -1.104 -0.823) 1.541 6.709 ( 1.176 -9.901 2.111) 10.191 6.936 ( -1.805 -4.270 -2.366) 5.205 7.035 ( 0.130 -14.450 0.989) 14.485 7.203 ( 4.794 -24.586 -0.204) 25.050 7.817 ( 2.547 -5.738 2.922) 6.925 8.936 ( -3.230 -2.714 -3.297) 5.354 9.101 ( -0.443 -13.329 0.153) 13.337 9.288 ( -2.664 -2.890 -0.953) 4.044 9.327 ( 0.623 -1.336 2.469) 2.875 9.489 ( 1.224 -5.036 3.457) 6.230 9.597 ( -2.813 -7.851 -4.991) 9.719 10.214 ( 5.135 2.959 -0.069) 5.927 10.746 ( 3.248 2.578 0.532) 4.181 11.251 ( -5.028 10.790 4.287) 12.653 11.555 ( -10.843 21.649 -0.961) 24.232 12.020 ( -0.004 3.331 0.538) 3.374 12.228 ( 0.179 7.437 -0.268) 7.444 13.039 ( 1.766 -11.856 -1.697) 12.106 14.222 ( 2.038 3.435 -0.070) 3.995 14.586 ( -0.184 1.445 -0.112) 1.461 16.519 ( -0.203 -12.569 0.905) 12.603 16.614 ( 3.358 -12.079 -2.535) 12.791 16.910 ( -0.707 2.828 0.087) 2.916 18.717 ( -0.464 3.220 -0.707) 3.329 18.957 ( -0.536 -4.019 -1.373) 4.280 19.063 ( -1.274 -7.704 0.629) 7.834 19.254 ( 7.962 -10.169 2.295) 13.118 19.740 ( 1.772 6.481 -0.235) 6.723 19.898 ( -3.349 10.415 -3.312) 11.430 21.597 ( -0.376 1.113 -0.085) 1.178 21.787 ( 0.622 3.482 3.135) 4.726 ======================= Grid point 145 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -7.045 -0.000 1.161) 7.140 0.517 ( -15.868 -0.000 -13.721) 20.977 0.763 ( 1.434 0.000 1.051) 1.778 0.828 ( 0.948 0.000 -2.547) 2.718 1.027 ( -14.022 -0.000 1.599) 14.113 1.221 ( 1.916 0.000 -2.391) 3.063 1.307 ( 3.236 0.000 2.099) 3.857 1.351 ( 2.744 0.000 -1.084) 2.950 1.519 ( -2.066 -0.000 -3.176) 3.789 1.652 ( 2.133 0.000 1.933) 2.878 1.762 ( -0.831 -0.000 -0.041) 0.832 1.838 ( -0.242 -0.000 -2.739) 2.750 1.910 ( -1.326 -0.000 -0.246) 1.349 1.957 ( -0.847 -0.000 0.908) 1.242 1.992 ( -2.542 -0.000 5.659) 6.204 2.105 ( 1.991 0.000 -2.747) 3.393 2.213 ( 4.226 0.000 -3.843) 5.712 2.293 ( 0.531 0.000 0.091) 0.539 2.363 ( 0.720 0.000 0.386) 0.817 2.363 ( 1.136 0.000 1.862) 2.181 2.420 ( 5.369 0.000 3.554) 6.438 2.431 ( 0.179 0.000 -1.794) 1.803 2.556 ( 8.168 0.000 1.704) 8.344 2.709 ( 1.685 0.000 -1.413) 2.199 2.709 ( -2.565 -0.000 4.095) 4.832 2.830 ( -0.814 -0.000 2.736) 2.854 2.833 ( -0.896 -0.000 3.701) 3.808 3.047 ( -3.247 -0.000 -1.354) 3.518 3.144 ( 1.487 0.000 -1.055) 1.823 3.175 ( -3.039 -0.000 -0.755) 3.131 3.296 ( 2.974 0.000 0.118) 2.976 3.539 ( -7.522 -0.000 -2.733) 8.003 3.611 ( -6.726 -0.000 -7.343) 9.957 3.702 ( 0.960 0.000 -2.001) 2.220 3.720 ( 0.176 0.000 1.286) 1.298 3.921 ( -3.530 -0.000 3.340) 4.860 3.985 ( 5.792 0.000 -1.288) 5.933 4.046 ( -1.886 -0.000 -1.715) 2.549 4.103 ( -0.183 -0.000 1.456) 1.467 4.241 ( -1.364 -0.000 -0.397) 1.420 4.384 ( 0.586 0.000 3.020) 3.076 4.428 ( 1.799 0.000 4.581) 4.922 4.671 ( -4.019 -0.000 -3.598) 5.394 5.166 ( -0.844 -0.000 -1.266) 1.522 5.449 ( 2.929 0.000 0.675) 3.005 5.524 ( -1.370 -0.000 -1.276) 1.872 5.634 ( -2.162 -0.000 -8.552) 8.821 5.922 ( 9.510 0.000 15.986) 18.601 6.287 ( -8.101 -0.000 -14.516) 16.624 6.509 ( -0.525 -0.000 -0.879) 1.024 6.879 ( 2.320 0.000 1.975) 3.047 7.279 ( 4.116 0.000 4.350) 5.988 8.404 ( 0.404 0.000 0.412) 0.577 8.830 ( -0.426 -0.000 -0.930) 1.023 9.237 ( 0.252 0.000 0.312) 0.401 9.308 ( -4.864 -0.000 -4.328) 6.511 9.398 ( -0.045 -0.000 0.961) 0.962 9.463 ( -8.921 -0.000 -9.865) 13.300 10.276 ( 7.284 0.000 1.067) 7.361 10.777 ( 5.288 0.000 -2.584) 5.885 11.776 ( -0.163 -0.000 -0.063) 0.175 11.913 ( -4.939 -0.000 -6.794) 8.400 12.208 ( -4.465 -0.000 -1.972) 4.881 12.580 ( -0.187 -0.000 -0.990) 1.008 13.250 ( 3.867 0.000 12.922) 13.488 14.314 ( -0.073 -0.000 0.020) 0.075 15.029 ( -0.113 -0.000 -18.104) 18.104 15.673 ( -0.191 -0.000 -0.866) 0.887 15.827 ( 0.278 0.000 0.769) 0.817 17.057 ( -1.312 -0.000 -0.121) 1.318 18.258 ( 0.063 0.000 -0.065) 0.091 18.378 ( -0.100 -0.000 0.041) 0.109 18.977 ( -1.898 -0.000 6.003) 6.296 19.238 ( -2.493 -0.000 4.724) 5.341 19.889 ( 0.203 0.000 -2.123) 2.132 20.377 ( -1.471 -0.000 -6.060) 6.236 21.670 ( -0.792 -0.000 0.363) 0.871 21.980 ( 2.297 0.000 6.089) 6.508 ======================= Grid point 146 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -10.848 -9.222 -5.758) 15.358 0.642 ( -7.695 -14.871 1.349) 16.798 0.840 ( 1.247 -5.491 1.072) 5.732 0.942 ( -7.602 -8.346 1.888) 11.446 1.132 ( 1.087 -17.741 -3.181) 18.057 1.245 ( -1.584 -3.089 -6.604) 7.461 1.362 ( 3.708 -1.638 -0.822) 4.136 1.467 ( 2.215 -8.244 1.082) 8.605 1.567 ( -0.132 -5.029 0.256) 5.037 1.675 ( 0.971 -0.816 0.496) 1.362 1.775 ( -0.756 -0.924 -0.613) 1.342 1.858 ( -0.179 -1.882 0.099) 1.893 1.903 ( -3.578 -2.179 2.035) 4.657 1.929 ( -0.120 1.644 0.927) 1.891 1.961 ( -1.532 1.848 3.628) 4.351 2.060 ( 3.174 4.591 -2.106) 5.966 2.196 ( 2.669 2.178 -4.746) 5.864 2.314 ( 1.420 0.674 -0.104) 1.575 2.386 ( 1.048 -1.215 0.046) 1.605 2.469 ( 3.129 -5.636 1.795) 6.691 2.536 ( 2.384 -6.511 -1.176) 7.033 2.541 ( 2.987 1.266 2.508) 4.101 2.593 ( 1.307 -7.250 -0.419) 7.379 2.649 ( 0.997 -1.495 -0.422) 1.846 2.757 ( 3.200 -0.811 3.081) 4.516 2.808 ( 2.975 0.176 4.443) 5.350 2.909 ( -3.149 -4.079 -0.413) 5.170 3.029 ( -3.177 -0.881 -0.965) 3.435 3.118 ( -0.521 1.268 1.665) 2.157 3.153 ( -2.575 0.493 -0.768) 2.731 3.342 ( 1.979 -1.422 -0.785) 2.560 3.488 ( -8.730 -1.034 -0.410) 8.801 3.499 ( -5.498 4.243 -4.412) 8.228 3.670 ( 0.418 2.750 -4.071) 4.930 3.699 ( -3.095 3.601 -3.740) 6.044 3.907 ( -2.747 1.207 5.138) 5.950 3.927 ( -0.148 3.132 -1.185) 3.352 4.079 ( -0.360 0.553 1.523) 1.660 4.132 ( -0.126 -4.972 -0.048) 4.974 4.191 ( -1.397 -0.218 0.983) 1.722 4.327 ( 3.792 7.335 1.568) 8.404 4.375 ( -0.178 1.906 -0.878) 2.106 4.666 ( -1.970 -0.916 -1.661) 2.735 5.255 ( -0.252 -1.740 -0.014) 1.758 5.434 ( 4.302 1.540 0.043) 4.570 5.606 ( -1.267 -6.341 -0.974) 6.539 5.912 ( 6.837 -29.085 -6.264) 30.528 6.164 ( 6.782 -13.191 11.926) 19.032 6.343 ( -6.066 -12.965 -10.340) 17.658 6.519 ( -0.128 -1.789 -0.372) 1.831 6.883 ( 0.938 0.487 0.376) 1.121 7.423 ( 3.121 -10.003 2.107) 10.688 8.511 ( 0.029 -10.140 -0.027) 10.140 8.860 ( -0.520 -2.650 -0.923) 2.854 9.212 ( -1.192 0.864 -2.117) 2.578 9.319 ( -3.278 -0.467 -1.402) 3.595 9.324 ( -2.772 -0.014 -0.320) 2.791 9.468 ( -2.284 -2.722 -0.942) 3.676 10.312 ( 7.443 1.636 -0.045) 7.621 10.804 ( 5.427 0.504 -2.573) 6.027 11.612 ( -3.987 8.156 -1.812) 9.257 12.090 ( -8.334 -6.821 -4.861) 11.816 12.175 ( 0.793 -2.877 4.692) 5.561 12.520 ( -0.800 5.007 -1.009) 5.170 12.961 ( -7.075 23.630 3.445) 24.906 14.314 ( 0.227 0.269 0.037) 0.354 14.818 ( -0.922 10.957 -6.691) 12.872 15.899 ( 4.841 -15.469 -0.153) 16.209 16.016 ( 0.991 -16.022 -5.418) 16.943 17.025 ( -1.248 2.077 0.331) 2.446 18.437 ( 1.973 -9.996 -1.823) 10.351 18.536 ( 6.122 -18.003 -4.054) 19.443 18.951 ( -1.935 1.842 5.811) 6.396 19.207 ( -0.313 2.805 7.485) 7.999 19.874 ( 0.569 1.255 -1.661) 2.158 20.281 ( -3.120 6.853 -5.337) 9.229 21.651 ( -0.847 1.189 0.172) 1.470 21.966 ( 2.854 4.146 6.803) 8.463 ======================= Grid point 147 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -3.798 -14.623 1.110) 15.149 0.741 ( -11.004 -6.753 2.418) 13.135 0.974 ( 0.886 -6.503 0.343) 6.572 1.215 ( 0.452 -12.960 -0.365) 12.973 1.284 ( -1.736 -6.096 -8.451) 10.564 1.410 ( 4.612 -3.617 0.300) 5.869 1.460 ( 1.907 -8.456 -3.643) 9.402 1.559 ( 1.375 -0.566 0.232) 1.505 1.672 ( -1.151 0.200 -2.630) 2.878 1.730 ( 0.035 -6.162 4.074) 7.387 1.808 ( -1.380 -2.077 2.116) 3.270 1.831 ( -3.239 -1.765 0.121) 3.690 1.878 ( 0.072 3.131 -0.078) 3.132 1.934 ( -0.831 -0.030 0.984) 1.288 1.979 ( 1.996 -0.950 1.147) 2.490 2.033 ( -0.195 -1.930 3.000) 3.572 2.160 ( -0.199 1.010 -7.328) 7.400 2.303 ( 1.624 1.089 -0.076) 1.956 2.398 ( -0.428 1.536 -1.489) 2.181 2.434 ( -0.913 2.844 0.028) 2.987 2.537 ( 2.641 2.710 -2.709) 4.653 2.599 ( 3.381 -2.153 1.265) 4.203 2.752 ( 0.588 2.054 -0.502) 2.194 2.771 ( 3.834 -2.085 1.758) 4.706 2.821 ( 2.665 -3.803 1.240) 4.806 2.864 ( 1.928 -7.718 3.815) 8.823 2.977 ( -3.543 -4.138 -0.533) 5.474 3.057 ( -1.206 -4.351 1.027) 4.630 3.097 ( -1.569 0.850 2.082) 2.743 3.162 ( -1.808 -4.252 1.166) 4.766 3.259 ( -6.650 4.902 -3.284) 8.890 3.427 ( -5.672 0.006 -2.163) 6.071 3.500 ( -3.694 -2.992 1.737) 5.062 3.549 ( -3.879 2.468 -8.382) 9.560 3.645 ( 3.084 1.728 -0.363) 3.554 3.867 ( -1.218 1.132 3.896) 4.236 3.912 ( -1.246 0.610 1.197) 1.832 4.053 ( -0.491 1.645 -1.202) 2.096 4.200 ( 4.521 -0.438 1.133) 4.681 4.232 ( -1.143 1.473 1.744) 2.553 4.272 ( 2.167 -2.300 2.849) 4.255 4.381 ( 0.022 -4.656 -3.689) 5.940 4.638 ( -0.480 2.376 -1.751) 2.991 5.272 ( -0.225 -1.015 0.122) 1.047 5.429 ( 2.983 1.295 -0.789) 3.346 5.734 ( -0.856 -7.089 0.153) 7.142 6.423 ( 2.527 -5.886 -0.016) 6.405 6.472 ( 3.011 -16.254 -1.815) 16.630 6.651 ( -2.442 -18.321 -5.625) 19.320 6.737 ( 7.525 -23.880 4.241) 25.395 6.895 ( 0.427 -1.920 -0.129) 1.971 7.654 ( 0.031 -10.841 -1.252) 10.913 8.782 ( -0.323 -16.293 0.194) 16.298 8.890 ( -0.789 -0.986 0.006) 1.263 9.220 ( -0.961 -2.142 -0.142) 2.352 9.291 ( -1.184 -1.947 2.826) 3.631 9.391 ( -0.521 -4.476 0.540) 4.539 9.503 ( -0.340 -1.906 0.575) 2.019 10.310 ( 5.965 3.062 -1.656) 6.906 10.817 ( 4.643 1.752 -1.424) 5.163 11.420 ( -4.187 8.584 0.661) 9.573 11.872 ( -18.564 18.455 1.552) 26.222 12.123 ( -2.057 6.853 4.202) 8.298 12.383 ( -0.986 7.899 -1.292) 8.064 12.797 ( 1.532 -10.972 -4.100) 11.812 14.297 ( 1.326 2.114 0.016) 2.496 14.654 ( 1.068 5.671 -0.044) 5.771 16.238 ( 1.308 -15.481 1.991) 15.663 16.353 ( 4.318 -15.819 -6.129) 17.506 16.966 ( -0.854 3.064 0.478) 3.217 18.657 ( 0.419 -10.952 -2.377) 11.215 18.829 ( 0.623 -2.267 -0.588) 2.424 18.984 ( 2.225 -6.421 -6.008) 9.071 19.194 ( 7.931 -0.872 9.849) 12.676 19.841 ( 1.406 2.776 -0.968) 3.259 20.074 ( -4.402 10.077 -3.129) 11.433 21.619 ( -0.589 1.377 -0.034) 1.499 21.891 ( 1.691 5.407 5.454) 7.864 ======================= Grid point 155 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -9.403 -0.000 3.498) 10.033 0.336 ( -8.554 -0.000 3.884) 9.395 0.776 ( -22.602 -0.000 4.251) 22.999 0.784 ( 1.168 0.000 0.770) 1.399 0.842 ( 1.731 0.000 -1.741) 2.455 1.202 ( -1.063 -0.000 -8.081) 8.151 1.325 ( -0.261 -0.000 -4.369) 4.377 1.438 ( 7.549 0.000 3.468) 8.308 1.501 ( 0.134 0.000 1.196) 1.204 1.686 ( 1.952 0.000 0.041) 1.952 1.745 ( -1.432 -0.000 -0.626) 1.562 1.829 ( -0.326 -0.000 -0.575) 0.661 1.887 ( -1.717 -0.000 0.376) 1.758 1.960 ( 0.705 0.000 3.360) 3.433 1.981 ( -1.054 -0.000 3.887) 4.028 2.143 ( 4.322 0.000 -3.670) 5.670 2.266 ( 4.298 0.000 -3.769) 5.717 2.297 ( 0.221 0.000 0.125) 0.254 2.377 ( 0.936 0.000 -0.165) 0.950 2.377 ( 1.708 0.000 -0.671) 1.835 2.438 ( 1.262 0.000 -0.022) 1.263 2.481 ( 1.124 0.000 4.217) 4.364 2.658 ( 4.408 0.000 1.555) 4.674 2.685 ( -2.762 -0.000 4.371) 5.170 2.707 ( -0.686 -0.000 -4.318) 4.372 2.846 ( 2.901 0.000 0.777) 3.003 2.855 ( 2.721 0.000 5.718) 6.333 2.994 ( -3.162 -0.000 -2.743) 4.186 3.127 ( -3.677 -0.000 -1.222) 3.875 3.158 ( 0.616 0.000 -0.543) 0.821 3.333 ( 2.333 0.000 0.205) 2.342 3.412 ( -9.563 -0.000 1.466) 9.675 3.502 ( -5.500 -0.000 -8.339) 9.990 3.689 ( -2.867 -0.000 -5.561) 6.257 3.720 ( -0.546 -0.000 0.193) 0.579 3.878 ( -3.439 -0.000 0.372) 3.459 4.028 ( -0.410 -0.000 0.513) 0.657 4.053 ( 5.044 0.000 -2.240) 5.519 4.099 ( -0.782 -0.000 1.008) 1.276 4.219 ( -1.596 -0.000 -0.195) 1.608 4.397 ( -0.017 -0.000 3.789) 3.789 4.480 ( 4.171 0.000 4.679) 6.268 4.630 ( -1.047 -0.000 3.279) 3.442 5.156 ( -0.337 -0.000 -0.454) 0.565 5.427 ( -6.662 -0.000 -12.857) 14.481 5.509 ( -0.423 -0.000 0.306) 0.522 5.596 ( 0.895 0.000 -0.243) 0.928 6.099 ( 8.865 0.000 15.859) 18.168 6.128 ( -8.126 -0.000 -15.650) 17.634 6.504 ( 0.043 0.000 -0.230) 0.234 6.905 ( 1.124 0.000 -0.171) 1.137 7.322 ( 0.890 0.000 -0.728) 1.150 8.408 ( 0.103 0.000 -0.142) 0.176 8.827 ( 0.147 0.000 0.079) 0.167 9.240 ( 0.118 0.000 0.049) 0.128 9.249 ( -2.332 -0.000 -0.179) 2.339 9.358 ( -2.983 -0.000 4.650) 5.525 9.397 ( -0.437 -0.000 0.324) 0.544 10.380 ( 7.242 0.000 -1.288) 7.355 10.844 ( 6.461 0.000 -3.243) 7.229 11.774 ( -0.113 -0.000 0.046) 0.122 11.784 ( -9.719 -0.000 -10.030) 13.966 12.192 ( 0.747 0.000 6.318) 6.362 12.566 ( -1.053 -0.000 -1.348) 1.711 13.274 ( -5.348 -0.000 -6.538) 8.446 14.313 ( -0.092 -0.000 0.004) 0.093 14.937 ( -4.651 -0.000 -15.162) 15.859 15.671 ( 0.186 0.000 -0.228) 0.294 15.830 ( -0.064 -0.000 0.169) 0.180 17.039 ( -1.232 -0.000 0.539) 1.345 18.259 ( 0.098 0.000 -0.027) 0.102 18.376 ( -0.135 -0.000 0.013) 0.136 18.963 ( -2.899 -0.000 3.912) 4.869 19.264 ( 4.071 0.000 14.090) 14.667 19.884 ( 0.007 0.000 -1.864) 1.864 20.320 ( -4.332 -0.000 -6.681) 7.962 21.657 ( -1.015 -0.000 0.054) 1.016 22.066 ( 7.194 0.000 11.081) 13.212 ======================= Grid point 156 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -0.762 -11.145 11.630) 16.126 0.516 ( -12.164 -9.175 4.692) 15.943 0.815 ( -8.767 -20.094 1.793) 21.997 0.863 ( 1.529 -6.308 1.908) 6.765 1.179 ( 0.436 -5.481 -9.601) 11.064 1.195 ( 3.803 -14.067 -6.488) 15.951 1.379 ( -0.042 -5.013 -3.793) 6.286 1.512 ( 4.239 -2.293 0.588) 4.855 1.594 ( 2.422 -6.876 4.353) 8.491 1.696 ( 0.997 0.021 0.430) 1.086 1.768 ( -0.366 -1.251 0.832) 1.546 1.839 ( -3.384 2.950 0.329) 4.501 1.858 ( -1.400 -3.927 -0.438) 4.192 1.944 ( 0.147 1.990 0.639) 2.095 1.958 ( -0.010 0.998 5.216) 5.311 2.103 ( 3.984 4.844 -2.945) 6.929 2.214 ( 1.767 3.397 -3.274) 5.038 2.317 ( -0.350 0.287 -1.389) 1.461 2.396 ( 0.452 0.154 -1.035) 1.140 2.499 ( -1.150 -1.678 -2.740) 3.412 2.526 ( 1.036 -4.976 1.931) 5.438 2.583 ( 2.323 -7.543 -0.726) 7.926 2.625 ( 1.947 -0.586 1.013) 2.272 2.687 ( 2.554 -7.967 3.091) 8.919 2.805 ( 3.076 0.346 3.333) 4.548 2.852 ( -0.030 -3.585 -0.985) 3.718 2.904 ( 2.810 0.630 1.832) 3.413 2.990 ( -0.428 -1.147 -1.577) 1.996 3.091 ( -5.578 -0.058 -1.220) 5.710 3.119 ( -0.856 2.144 0.631) 2.393 3.298 ( -6.458 3.688 -2.034) 7.710 3.399 ( -3.977 -0.448 -2.701) 4.828 3.449 ( -0.854 -0.789 -0.430) 1.240 3.561 ( -9.396 4.639 -10.863) 15.093 3.704 ( 1.429 1.689 0.840) 2.366 3.876 ( -2.519 -1.227 1.778) 3.318 3.948 ( 1.636 5.191 5.508) 7.744 4.071 ( -0.924 0.643 -0.256) 1.154 4.122 ( -1.118 -4.981 0.750) 5.160 4.194 ( 0.485 -1.222 3.655) 3.884 4.354 ( 0.015 2.623 -2.753) 3.802 4.402 ( 3.962 6.040 4.014) 8.264 4.642 ( -1.230 -1.286 -1.093) 2.088 5.261 ( 0.854 0.007 1.209) 1.480 5.485 ( 3.653 1.442 -2.222) 4.512 5.597 ( -0.159 -5.701 1.231) 5.834 5.987 ( 9.174 -35.594 -15.485) 39.885 6.207 ( -5.283 -13.499 -10.858) 18.112 6.331 ( 8.148 -13.903 12.369) 20.314 6.526 ( 0.935 -3.091 0.925) 3.359 6.891 ( 0.137 1.006 -0.674) 1.218 7.427 ( -1.962 -9.573 -4.368) 10.704 8.510 ( -0.052 -9.997 -0.109) 9.998 8.861 ( 0.610 -2.347 1.130) 2.675 9.195 ( -0.196 0.653 0.507) 0.849 9.307 ( 0.616 1.219 6.586) 6.726 9.321 ( 2.282 -1.635 4.790) 5.552 9.461 ( 1.129 -2.911 4.834) 5.755 10.399 ( 5.229 2.075 -3.325) 6.535 10.879 ( 6.877 1.031 -1.555) 7.126 11.544 ( -3.795 7.331 -3.564) 8.992 11.953 ( -11.702 -2.027 -0.324) 11.880 12.204 ( -0.354 1.117 6.760) 6.861 12.504 ( -0.772 5.037 -1.241) 5.245 12.768 ( -19.277 17.186 -10.037) 27.708 14.317 ( 0.141 -0.179 0.015) 0.228 14.812 ( 2.632 7.667 1.918) 8.330 15.962 ( 1.854 -12.739 1.786) 12.996 16.026 ( 6.260 -20.200 -10.204) 23.481 17.013 ( -0.869 1.931 0.860) 2.286 18.449 ( 0.679 -8.362 -0.839) 8.432 18.624 ( 9.327 -22.191 -13.026) 27.370 18.926 ( -3.716 1.352 1.159) 4.121 19.308 ( 11.081 2.879 16.716) 20.261 19.876 ( 0.362 0.613 -1.532) 1.690 20.207 ( -5.310 6.502 -2.878) 8.874 21.639 ( -0.753 1.015 -0.038) 1.264 22.048 ( 5.027 7.394 11.031) 14.200 ======================= Grid point 165 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -5.915 -0.000 9.692) 11.355 0.365 ( 6.397 0.000 27.300) 28.039 0.486 ( -19.368 -0.000 12.022) 22.796 0.799 ( 0.649 0.000 0.407) 0.766 0.857 ( 0.979 0.000 -1.709) 1.969 1.155 ( -1.282 -0.000 -11.047) 11.121 1.283 ( -2.221 -0.000 -9.023) 9.292 1.524 ( 1.747 0.000 3.692) 4.085 1.548 ( 6.079 0.000 3.868) 7.205 1.695 ( -0.488 -0.000 -1.648) 1.719 1.724 ( -1.191 -0.000 -0.880) 1.481 1.824 ( -0.509 -0.000 -0.025) 0.509 1.872 ( -0.806 -0.000 0.487) 0.941 1.964 ( -0.889 -0.000 -0.097) 0.894 2.036 ( 6.507 0.000 8.237) 10.497 2.189 ( 3.898 0.000 -3.787) 5.434 2.286 ( 1.165 0.000 -4.109) 4.271 2.302 ( 0.391 0.000 0.460) 0.604 2.388 ( 0.832 0.000 0.765) 1.130 2.401 ( 0.138 0.000 -0.578) 0.594 2.455 ( 0.741 0.000 -0.500) 0.894 2.485 ( -1.085 -0.000 1.901) 2.189 2.640 ( -2.811 -0.000 1.997) 3.448 2.680 ( -0.762 -0.000 -3.822) 3.898 2.694 ( -0.751 -0.000 3.612) 3.689 2.884 ( -0.497 -0.000 -0.876) 1.007 2.919 ( 3.115 0.000 5.083) 5.962 2.991 ( 6.086 0.000 -1.548) 6.280 3.073 ( -3.034 -0.000 -0.662) 3.105 3.132 ( -4.550 -0.000 -5.837) 7.401 3.317 ( -5.390 -0.000 -0.691) 5.435 3.358 ( 1.135 0.000 0.006) 1.135 3.422 ( -2.551 -0.000 -4.403) 5.088 3.516 ( -18.356 -0.000 -13.087) 22.543 3.707 ( -1.074 -0.000 -1.137) 1.564 3.841 ( -1.479 -0.000 0.292) 1.508 4.037 ( 0.902 0.000 2.764) 2.908 4.076 ( -0.222 -0.000 -2.960) 2.968 4.122 ( 3.022 0.000 2.026) 3.638 4.202 ( -0.786 -0.000 0.316) 0.847 4.405 ( -0.882 -0.000 1.856) 2.055 4.560 ( 4.736 0.000 2.564) 5.386 4.689 ( 3.559 0.000 5.382) 6.452 5.153 ( 0.129 0.000 0.147) 0.196 5.291 ( 2.654 0.000 3.275) 4.215 5.515 ( 0.588 0.000 2.129) 2.209 5.632 ( 2.283 0.000 4.200) 4.780 5.964 ( -8.224 -0.000 -16.743) 18.654 6.265 ( 7.862 0.000 15.355) 17.251 6.508 ( 0.414 0.000 0.379) 0.562 6.908 ( -0.170 -0.000 -2.136) 2.143 7.294 ( -3.209 -0.000 -5.221) 6.128 8.406 ( -0.204 -0.000 -0.737) 0.765 8.834 ( 0.577 0.000 1.129) 1.268 9.240 ( -0.057 -0.000 -0.225) 0.232 9.254 ( 1.257 0.000 5.234) 5.383 9.389 ( -0.640 -0.000 -0.367) 0.737 9.559 ( 32.925 0.000 35.789) 48.630 10.440 ( 2.511 0.000 -5.679) 6.209 10.948 ( 8.930 0.000 1.037) 8.990 11.627 ( -6.409 -0.000 -9.963) 11.846 11.773 ( -0.019 -0.000 0.166) 0.167 12.231 ( -1.357 -0.000 6.619) 6.757 12.548 ( -1.236 -0.000 -2.434) 2.730 12.863 ( -49.317 -0.000 -38.767) 62.730 14.312 ( -0.070 -0.000 -0.014) 0.071 14.992 ( 21.707 0.000 18.940) 28.808 15.676 ( 0.491 0.000 0.466) 0.677 15.826 ( -0.385 -0.000 -0.482) 0.617 17.028 ( -0.709 -0.000 1.091) 1.301 18.260 ( 0.087 0.000 0.013) 0.088 18.375 ( -0.105 -0.000 -0.017) 0.107 18.920 ( -3.748 -0.000 0.590) 3.794 19.487 ( 20.289 0.000 17.780) 26.977 19.878 ( 0.016 0.000 -1.641) 1.641 20.238 ( -2.894 -0.000 2.133) 3.595 21.645 ( -0.686 -0.000 -0.126) 0.697 22.266 ( 16.695 0.000 13.367) 21.387 ======================= Grid point 166 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.474 0.000 8.437) 8.451 0.536 ( -3.352 -0.000 11.687) 12.159 0.799 ( 0.790 0.000 -0.416) 0.893 0.841 ( -0.015 -0.000 0.052) 0.054 0.847 ( 1.523 0.000 -12.342) 12.436 1.019 ( -1.845 -0.000 -8.572) 8.768 1.218 ( 14.206 0.000 21.974) 26.166 1.500 ( -7.793 -0.000 -9.119) 11.995 1.622 ( 2.190 0.000 1.914) 2.909 1.678 ( -1.452 -0.000 -1.374) 1.999 1.719 ( 0.259 0.000 3.093) 3.104 1.776 ( -0.530 -0.000 -1.312) 1.415 1.820 ( -2.788 -0.000 -2.588) 3.804 1.975 ( 0.882 0.000 1.259) 1.537 2.120 ( -4.287 -0.000 2.450) 4.937 2.176 ( 3.512 0.000 -2.479) 4.299 2.309 ( 2.158 0.000 -1.359) 2.550 2.339 ( 1.234 0.000 1.897) 2.263 2.397 ( -2.171 -0.000 -2.460) 3.281 2.412 ( 0.334 0.000 2.296) 2.320 2.451 ( 1.260 0.000 1.888) 2.270 2.457 ( -3.967 -0.000 3.088) 5.028 2.603 ( 0.166 0.000 -6.967) 6.969 2.611 ( 0.026 0.000 -2.362) 2.362 2.757 ( 0.912 0.000 1.470) 1.730 2.812 ( -4.590 -0.000 -3.154) 5.569 2.827 ( 1.632 0.000 -2.683) 3.140 2.983 ( -1.266 -0.000 1.600) 2.040 3.095 ( 1.365 0.000 0.619) 1.499 3.129 ( 6.135 0.000 1.244) 6.260 3.207 ( -5.637 -0.000 -0.909) 5.710 3.339 ( 1.989 0.000 1.259) 2.354 3.365 ( -0.011 -0.000 0.276) 0.276 3.403 ( 0.183 0.000 -1.848) 1.857 3.652 ( -0.646 -0.000 -1.285) 1.438 3.877 ( 0.338 0.000 1.437) 1.476 4.018 ( -0.355 -0.000 -1.613) 1.652 4.140 ( 0.868 0.000 2.976) 3.100 4.188 ( 0.236 0.000 1.475) 1.494 4.209 ( 0.304 0.000 -0.183) 0.355 4.326 ( -1.500 -0.000 -2.016) 2.512 4.661 ( -7.096 -0.000 3.785) 8.042 4.700 ( 6.510 0.000 0.098) 6.511 5.228 ( 2.816 0.000 5.199) 5.912 5.461 ( 1.482 0.000 -1.859) 2.378 5.465 ( -4.918 -0.000 -9.112) 10.354 5.654 ( 0.090 0.000 -0.286) 0.300 5.849 ( 4.978 0.000 2.647) 5.638 6.533 ( 0.375 0.000 0.860) 0.938 6.621 ( 3.983 0.000 9.078) 9.914 6.789 ( -2.510 -0.000 -6.176) 6.666 7.110 ( -2.054 -0.000 -4.377) 4.835 8.383 ( -0.168 -0.000 -0.517) 0.544 8.877 ( 0.402 0.000 1.004) 1.081 9.230 ( -0.144 -0.000 -0.282) 0.316 9.364 ( -0.356 -0.000 -0.506) 0.618 9.450 ( 2.005 0.000 5.620) 5.967 10.228 ( -0.472 -0.000 -4.555) 4.579 10.436 ( 9.077 0.000 -0.369) 9.084 11.147 ( 6.375 0.000 3.447) 7.247 11.530 ( -7.147 -0.000 -3.498) 7.957 11.713 ( -6.537 -0.000 -0.828) 6.589 11.778 ( 0.047 0.000 0.147) 0.155 12.454 ( -0.637 -0.000 1.983) 2.083 12.583 ( 0.669 0.000 0.435) 0.798 14.311 ( -0.009 -0.000 -0.016) 0.018 15.528 ( 8.744 0.000 -0.349) 8.751 15.709 ( 0.601 0.000 0.974) 1.145 15.795 ( -0.574 -0.000 -0.967) 1.124 17.046 ( 0.002 0.000 0.703) 0.703 18.261 ( 0.022 0.000 0.024) 0.032 18.373 ( -0.015 -0.000 -0.022) 0.027 18.890 ( -0.326 -0.000 0.065) 0.332 19.633 ( -1.545 -0.000 -0.175) 1.555 19.846 ( 0.065 0.000 -0.995) 0.997 20.450 ( 6.454 0.000 -0.041) 6.454 21.635 ( -0.079 -0.000 -0.120) 0.144 22.471 ( -0.217 -0.000 0.405) 0.459 ======================= Grid point 167 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 3.849 -6.559 9.809) 12.412 0.723 ( -0.038 -12.837 3.196) 13.229 0.839 ( 3.362 -2.395 -11.976) 12.667 0.882 ( -0.074 -6.661 1.377) 6.802 1.078 ( 2.128 -14.392 2.423) 14.749 1.143 ( -2.072 -11.470 -7.042) 13.617 1.380 ( 10.479 -3.134 11.239) 15.683 1.438 ( -7.122 -2.211 -8.640) 11.413 1.717 ( -0.132 -0.532 3.775) 3.815 1.731 ( 0.820 -4.787 1.787) 5.175 1.748 ( -3.226 -0.615 -2.696) 4.249 1.759 ( 0.452 -4.483 1.172) 4.656 1.776 ( -0.335 -1.276 -0.990) 1.649 1.955 ( 1.033 2.305 0.460) 2.567 2.032 ( -4.466 4.389 3.154) 7.011 2.139 ( 2.651 4.648 -2.439) 5.881 2.202 ( -3.115 6.399 0.190) 7.120 2.266 ( 1.422 2.394 -1.572) 3.198 2.367 ( -1.545 2.144 0.487) 2.687 2.479 ( -0.667 0.177 -1.616) 1.757 2.569 ( -1.449 -8.046 2.302) 8.494 2.580 ( 0.171 -9.325 -1.039) 9.385 2.613 ( -0.143 -7.446 -1.006) 7.515 2.708 ( -4.244 -2.384 0.282) 4.876 2.775 ( -0.968 0.465 -0.501) 1.186 2.845 ( 6.083 -6.971 -1.939) 9.453 2.865 ( 3.029 -3.912 -1.668) 5.221 3.008 ( -1.389 -1.932 2.100) 3.174 3.054 ( -5.465 4.587 -1.742) 7.344 3.113 ( 3.982 2.717 0.580) 4.856 3.177 ( 4.864 0.202 -0.198) 4.872 3.317 ( 1.012 1.244 0.249) 1.623 3.376 ( 2.829 2.301 0.007) 3.646 3.437 ( 0.892 -2.405 -1.910) 3.199 3.716 ( 0.045 -5.696 -0.325) 5.705 3.837 ( -0.135 3.470 -0.605) 3.525 4.014 ( -0.330 -0.123 -0.502) 0.613 4.066 ( -0.289 5.269 1.199) 5.411 4.214 ( 0.630 -5.299 1.491) 5.540 4.269 ( 0.204 2.508 2.302) 3.410 4.338 ( -0.788 -3.713 -1.839) 4.218 4.507 ( -4.487 7.332 2.826) 9.049 4.671 ( 4.509 4.445 -0.324) 6.340 5.330 ( -0.067 3.734 1.514) 4.030 5.433 ( -2.031 0.820 -1.463) 2.634 5.632 ( -1.950 -23.276 -5.564) 24.011 5.722 ( 0.485 -10.407 1.667) 10.551 6.063 ( 0.752 -15.423 -2.791) 15.692 6.524 ( 0.205 0.700 0.401) 0.833 6.758 ( 2.008 -8.940 7.323) 11.730 6.831 ( -1.428 -6.610 -4.153) 7.936 7.132 ( -1.278 -3.737 -4.241) 5.795 8.508 ( -0.058 -12.256 -0.108) 12.256 8.931 ( 0.148 -5.008 0.596) 5.046 9.239 ( -0.067 -0.061 -0.078) 0.120 9.391 ( 0.048 -3.784 0.186) 3.789 9.451 ( 1.417 1.798 2.954) 3.738 10.152 ( -2.872 7.851 -1.031) 8.423 10.312 ( -0.089 7.558 -2.144) 7.857 11.032 ( -9.255 9.491 -0.695) 13.275 11.361 ( -6.138 6.815 2.365) 9.472 11.740 ( 20.883 6.638 1.085) 21.939 12.062 ( 1.202 -18.654 -1.059) 18.722 12.445 ( -2.471 -1.149 1.224) 2.988 12.514 ( 2.580 6.179 -0.838) 6.748 14.318 ( -0.075 -0.500 0.014) 0.505 15.158 ( -0.582 21.829 0.080) 21.837 15.869 ( -0.970 -14.083 -0.921) 14.146 16.093 ( 0.005 -16.158 -3.103) 16.453 17.027 ( 0.476 2.138 0.561) 2.261 18.452 ( -0.917 -8.633 -0.784) 8.717 18.467 ( -0.663 -15.701 -1.586) 15.795 18.875 ( 1.791 1.649 0.343) 2.458 19.550 ( -3.749 5.826 1.068) 7.010 19.847 ( -0.028 -0.025 -0.817) 0.818 20.369 ( 4.464 11.052 -2.656) 12.211 21.627 ( 0.175 0.810 -0.042) 0.830 22.311 ( -4.215 11.555 3.046) 12.672 ======================= Grid point 168 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 6.141 -8.115 7.439) 12.606 0.895 ( 5.062 -5.510 -8.974) 11.684 1.027 ( -0.968 -7.625 0.973) 7.748 1.034 ( 0.838 -13.204 -0.425) 13.237 1.286 ( 1.128 -3.898 1.776) 4.430 1.305 ( -1.164 -5.924 -1.566) 6.237 1.426 ( -2.721 -4.538 -5.009) 7.286 1.544 ( 0.007 -4.879 -1.566) 5.124 1.686 ( -1.590 1.443 -0.056) 2.148 1.699 ( -0.541 1.789 0.733) 2.008 1.749 ( 2.919 0.399 2.160) 3.653 1.856 ( 1.216 3.490 -0.302) 3.708 1.867 ( 0.117 -4.032 1.244) 4.221 1.943 ( -2.166 0.986 0.534) 2.439 2.012 ( 1.824 -4.254 0.812) 4.699 2.039 ( -1.434 2.979 0.677) 3.375 2.142 ( 1.330 -2.414 -0.795) 2.868 2.266 ( 0.077 -1.310 -0.395) 1.371 2.367 ( -3.336 -3.815 0.274) 5.075 2.442 ( -1.195 1.393 -2.082) 2.776 2.514 ( 2.977 6.220 0.640) 6.925 2.653 ( -2.706 3.948 -2.128) 5.238 2.752 ( -1.813 -5.745 1.446) 6.195 2.808 ( 3.120 -1.566 2.122) 4.085 2.836 ( -8.068 -4.846 -0.652) 9.434 2.904 ( 0.541 -2.905 0.747) 3.048 2.972 ( 1.848 -2.708 0.252) 3.288 3.003 ( 0.037 -4.850 -1.524) 5.084 3.076 ( 4.615 -1.864 0.167) 4.980 3.134 ( 6.013 -0.457 1.087) 6.128 3.243 ( 1.886 -4.358 -0.782) 4.812 3.301 ( 0.290 0.815 1.658) 1.870 3.348 ( 1.943 -0.302 -2.957) 3.551 3.480 ( 3.157 -0.688 -1.078) 3.406 3.778 ( -0.104 1.056 -0.489) 1.168 3.821 ( -0.605 -3.425 -1.255) 3.697 3.958 ( -1.342 4.309 0.692) 4.566 4.045 ( 0.718 -2.103 0.721) 2.336 4.167 ( -0.690 6.046 1.845) 6.359 4.341 ( -2.172 -0.509 0.833) 2.382 4.366 ( -0.056 -4.194 1.424) 4.430 4.430 ( -2.391 -2.415 -2.018) 3.952 4.594 ( 3.216 5.379 -1.090) 6.362 5.273 ( -0.334 1.399 -0.010) 1.438 5.419 ( -1.980 -0.484 -0.627) 2.132 5.798 ( 0.002 -5.277 -0.404) 5.292 6.282 ( -2.490 -29.419 1.264) 29.551 6.413 ( 1.897 -21.795 -3.329) 22.129 6.515 ( 0.004 0.190 -0.198) 0.275 6.915 ( -1.687 -6.353 0.404) 6.586 7.073 ( 2.141 -15.962 3.258) 16.431 7.213 ( -1.441 -5.630 -3.298) 6.683 8.828 ( -0.248 -18.518 0.097) 18.520 9.072 ( -0.315 -9.145 -0.071) 9.151 9.210 ( -0.165 2.446 -0.023) 2.452 9.412 ( 0.981 2.589 0.937) 2.923 9.535 ( 0.028 -9.763 -0.012) 9.763 9.918 ( -4.108 10.766 0.072) 11.523 10.206 ( -2.357 4.248 -2.252) 5.355 10.782 ( -8.010 7.721 0.633) 11.144 11.188 ( 1.071 8.527 2.258) 8.886 11.678 ( 19.799 14.389 0.830) 24.489 12.220 ( -0.075 1.849 2.334) 2.979 12.341 ( 0.537 8.409 -1.885) 8.635 12.687 ( -1.055 -18.579 -1.674) 18.684 14.314 ( -0.722 1.035 0.032) 1.262 14.804 ( -2.136 12.387 -0.369) 12.575 16.199 ( -1.515 -18.468 0.815) 18.548 16.372 ( -0.819 -13.308 -3.328) 13.742 16.975 ( 0.588 3.281 0.315) 3.348 18.621 ( -0.121 -6.708 -1.055) 6.791 18.759 ( -2.782 -13.632 -0.026) 13.913 18.892 ( 2.783 -3.633 -0.155) 4.579 19.389 ( -4.112 6.844 1.049) 8.053 19.833 ( -0.724 1.455 -0.500) 1.701 20.122 ( 2.769 14.418 -2.598) 14.910 21.608 ( 0.246 1.153 0.007) 1.179 22.068 ( -3.494 9.699 2.833) 10.691 ======================= Grid point 169 (74/115) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 4.130 -6.020 2.445) 7.699 1.025 ( 5.653 -4.444 -5.041) 8.782 1.177 ( 0.483 -7.655 0.583) 7.692 1.261 ( -0.730 -7.216 -1.994) 7.521 1.322 ( -2.297 -5.322 -2.750) 6.416 1.384 ( 1.002 -0.706 4.008) 4.191 1.449 ( -0.276 0.910 0.417) 1.038 1.586 ( -2.580 -1.013 -2.424) 3.683 1.666 ( -1.079 2.940 1.214) 3.359 1.711 ( 1.092 -2.078 -2.191) 3.211 1.730 ( 2.101 0.067 -0.180) 2.110 1.776 ( 1.789 3.970 -1.653) 4.657 1.902 ( -0.333 -0.509 2.763) 2.829 1.985 ( -1.470 -0.829 1.206) 2.074 2.004 ( 1.466 -3.604 -1.159) 4.060 2.036 ( -0.701 1.429 -0.677) 1.730 2.192 ( -0.513 -0.150 -1.633) 1.718 2.263 ( -2.248 2.399 -1.394) 3.571 2.398 ( -0.861 2.496 -2.367) 3.546 2.430 ( 5.691 0.325 2.888) 6.390 2.474 ( -1.652 -0.455 -0.048) 1.714 2.593 ( 1.286 -3.863 -1.621) 4.382 2.768 ( -2.502 2.688 0.850) 3.769 2.820 ( 0.580 -1.680 2.905) 3.405 2.893 ( -0.770 -3.251 1.143) 3.531 2.981 ( 1.361 0.392 -1.968) 2.424 3.033 ( 2.415 -2.844 2.532) 4.509 3.068 ( -3.190 -3.076 -0.457) 4.455 3.115 ( 1.850 -0.296 -1.848) 2.632 3.201 ( 0.226 -4.295 1.364) 4.512 3.294 ( 2.756 -2.151 2.512) 4.305 3.351 ( 0.891 -2.117 -0.229) 2.308 3.416 ( 1.302 -3.169 -2.713) 4.370 3.517 ( 5.471 -1.055 0.502) 5.594 3.759 ( -2.004 0.559 -2.803) 3.491 3.854 ( 0.849 0.153 0.697) 1.109 3.900 ( -1.137 -0.503 -0.026) 1.243 4.045 ( -0.323 5.635 2.182) 6.051 4.107 ( 0.083 -3.002 1.250) 3.253 4.280 ( -3.694 2.053 -0.829) 4.307 4.443 ( -3.197 -0.535 -4.400) 5.465 4.476 ( 1.193 -1.346 0.567) 1.886 4.562 ( 2.908 -2.692 1.053) 4.101 5.263 ( 0.261 -0.181 -0.025) 0.319 5.400 ( -1.727 1.315 -0.499) 2.227 5.888 ( 0.092 -3.697 0.197) 3.704 6.494 ( -0.718 0.002 -0.408) 0.825 6.652 ( 0.357 -11.716 0.755) 11.745 6.969 ( -1.749 -16.037 -0.110) 16.133 7.055 ( 1.692 -18.449 -0.755) 18.542 7.307 ( -3.800 -6.873 -6.147) 9.973 7.416 ( 4.199 -13.161 8.723) 16.338 9.139 ( 0.066 -10.879 -0.826) 10.911 9.156 ( -0.971 1.753 -1.268) 2.371 9.280 ( -0.746 -7.281 0.642) 7.347 9.415 ( 0.455 -7.042 0.206) 7.059 9.683 ( -3.523 7.157 -1.266) 8.077 9.753 ( -1.532 -8.652 -1.957) 9.002 10.076 ( -0.915 6.803 0.289) 6.871 10.643 ( -3.383 2.857 1.895) 4.816 11.085 ( 4.077 3.589 3.828) 6.644 11.444 ( 12.246 19.179 -1.557) 22.808 12.149 ( -0.416 3.983 1.501) 4.276 12.179 ( -0.344 7.464 -1.461) 7.614 13.013 ( -0.902 -13.752 -0.872) 13.809 14.257 ( -1.790 3.514 -0.058) 3.944 14.634 ( -0.925 4.260 -0.335) 4.372 16.532 ( -1.254 -14.725 1.849) 14.894 16.598 ( -0.720 -10.159 -2.815) 10.566 16.915 ( 0.533 2.961 0.004) 3.008 18.657 ( 0.986 1.418 0.131) 1.732 18.962 ( -0.619 -4.456 -1.114) 4.635 19.066 ( 0.941 -12.453 0.558) 12.500 19.288 ( -4.074 -1.627 1.185) 4.544 19.756 ( -1.822 6.153 -0.081) 6.418 19.870 ( 3.007 11.790 -2.562) 12.434 21.588 ( 0.201 0.906 0.022) 0.928 21.896 ( -2.254 6.046 1.683) 6.668 ======================= Grid point 170 (75/115) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 2.583 -2.143 -1.966) 3.890 1.138 ( 2.426 -4.922 -2.613) 6.078 1.245 ( -0.680 5.284 1.270) 5.477 1.326 ( 0.940 -4.679 1.517) 5.008 1.392 ( -0.579 -2.963 -1.331) 3.299 1.435 ( 0.379 1.003 1.042) 1.495 1.486 ( -1.109 -7.192 -1.456) 7.421 1.567 ( -0.310 4.512 1.636) 4.809 1.587 ( -1.708 -1.334 -0.337) 2.193 1.687 ( -0.970 3.123 -2.263) 3.976 1.742 ( 1.049 0.202 -3.193) 3.367 1.760 ( 3.210 1.472 -0.821) 3.626 1.930 ( -0.451 -2.239 1.786) 2.899 1.990 ( 3.892 2.604 1.342) 4.871 1.992 ( -3.855 -1.504 0.934) 4.242 2.079 ( -0.412 -1.411 -0.090) 1.473 2.163 ( -0.212 1.608 -2.814) 3.248 2.199 ( 0.189 -0.317 -2.631) 2.656 2.353 ( -1.117 1.606 -2.988) 3.572 2.473 ( 4.233 -0.298 1.415) 4.474 2.508 ( 0.427 -2.855 1.003) 3.056 2.621 ( -1.433 2.443 -1.885) 3.402 2.735 ( 0.475 0.083 3.245) 3.280 2.849 ( 0.890 -0.191 3.782) 3.890 2.924 ( -2.152 -0.869 -2.082) 3.117 2.974 ( 1.995 -0.702 -0.624) 2.205 3.035 ( -3.985 2.134 -0.218) 4.526 3.105 ( 0.469 -1.321 3.928) 4.170 3.159 ( 2.302 -2.442 -1.149) 3.548 3.280 ( -0.329 -1.370 -1.068) 1.768 3.330 ( -2.001 0.029 2.077) 2.884 3.405 ( 3.618 -3.404 -0.418) 4.985 3.466 ( -0.865 -2.235 -3.553) 4.286 3.574 ( 4.505 0.265 2.352) 5.089 3.741 ( -2.207 -1.289 -1.020) 2.752 3.841 ( 0.555 1.597 -1.103) 2.019 3.924 ( -0.024 -0.706 0.537) 0.887 3.970 ( 0.908 1.790 3.113) 3.704 4.145 ( -1.329 -0.131 3.419) 3.671 4.226 ( -2.375 0.136 -4.287) 4.903 4.383 ( -0.889 2.286 -3.248) 4.070 4.517 ( -0.296 -1.495 0.636) 1.651 4.645 ( 1.762 -2.050 0.210) 2.711 5.280 ( 0.751 -1.045 -0.136) 1.294 5.350 ( -1.047 1.971 -0.400) 2.267 5.941 ( 0.071 -1.438 0.657) 1.582 6.485 ( -0.179 0.307 -0.225) 0.421 6.811 ( -0.478 -4.180 -1.061) 4.339 7.054 ( 0.417 -1.226 2.001) 2.384 7.339 ( -1.645 -2.233 -2.079) 3.467 7.559 ( -0.594 -17.887 -1.993) 18.007 7.626 ( 2.919 -3.382 5.015) 6.717 9.116 ( 0.192 2.241 1.289) 2.592 9.270 ( -0.963 -2.627 -2.534) 3.774 9.319 ( 0.207 -1.557 0.186) 1.582 9.501 ( -2.009 6.191 -0.315) 6.516 9.644 ( -2.974 -8.647 -3.104) 9.657 9.833 ( 1.275 3.078 3.382) 4.747 10.037 ( 1.164 -4.539 0.513) 4.714 10.611 ( -2.107 -0.908 -0.223) 2.305 11.090 ( 2.888 2.169 1.448) 3.892 11.169 ( 4.282 8.716 0.146) 9.712 12.049 ( -0.517 4.545 -0.591) 4.612 12.091 ( -0.297 1.278 0.311) 1.348 13.195 ( -0.289 -4.838 -0.411) 4.864 14.184 ( -1.017 1.987 -0.066) 2.233 14.586 ( -0.156 0.914 -0.052) 0.929 16.719 ( -0.552 -3.899 0.616) 3.986 16.756 ( -0.308 -6.026 -0.807) 6.087 16.872 ( 0.380 1.577 -0.290) 1.648 18.635 ( 0.696 0.830 0.271) 1.117 18.948 ( -0.287 2.029 -0.802) 2.200 19.329 ( -0.299 -12.369 -0.478) 12.382 19.410 ( -1.168 -9.588 2.083) 9.881 19.566 ( -0.546 10.909 -0.091) 10.923 19.687 ( 1.453 8.575 -2.662) 9.096 21.578 ( 0.083 0.276 0.013) 0.289 21.804 ( -1.036 2.333 1.403) 2.913 ======================= Grid point 171 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -3.923 1.270 -1.557) 4.408 1.092 ( 1.585 6.516 -0.221) 6.710 1.262 ( 0.510 -0.985 -0.028) 1.109 1.303 ( -1.445 4.027 2.312) 4.863 1.355 ( 1.734 4.233 2.372) 5.153 1.474 ( 0.730 0.102 -3.556) 3.632 1.506 ( 0.956 -1.759 -0.047) 2.002 1.585 ( -1.982 -0.200 -1.828) 2.704 1.623 ( 0.976 -1.731 -3.004) 3.602 1.655 ( 0.495 -2.330 0.339) 2.406 1.743 ( 0.688 0.309 0.212) 0.784 1.749 ( -1.684 -1.792 -3.169) 4.011 1.954 ( 1.258 1.579 -0.103) 2.022 1.975 ( 3.159 -0.480 1.525) 3.541 2.014 ( -2.387 -1.298 0.295) 2.733 2.092 ( -0.469 -1.165 -0.508) 1.355 2.171 ( 0.752 2.765 -4.501) 5.335 2.184 ( -0.225 -2.349 -1.959) 3.066 2.322 ( -0.089 -0.007 0.263) 0.278 2.496 ( 0.062 0.176 -0.091) 0.208 2.532 ( -1.708 3.827 -1.040) 4.318 2.569 ( -0.609 -2.252 2.140) 3.166 2.733 ( 1.260 1.531 3.592) 4.103 2.859 ( 2.345 0.193 3.960) 4.606 2.922 ( -1.879 -0.540 -2.836) 3.445 2.969 ( -2.093 1.974 0.455) 2.913 3.016 ( 1.632 -1.371 0.906) 2.316 3.105 ( -1.891 0.849 2.122) 2.967 3.187 ( 1.125 1.070 -2.276) 2.755 3.256 ( 0.216 1.161 1.388) 1.823 3.338 ( -2.506 0.097 1.220) 2.789 3.441 ( 0.095 0.549 -1.543) 1.641 3.462 ( -1.340 1.618 -5.837) 6.204 3.578 ( 0.629 0.805 1.995) 2.242 3.756 ( -2.109 2.639 -2.342) 4.111 3.802 ( 0.133 -1.395 2.428) 2.804 3.932 ( 1.484 -0.205 -0.317) 1.531 3.982 ( 0.779 -0.881 3.329) 3.531 4.120 ( -2.525 0.344 2.941) 3.891 4.237 ( 1.961 -1.267 -3.165) 3.933 4.355 ( 0.234 -0.039 -0.804) 0.838 4.521 ( 0.220 1.279 0.187) 1.311 4.647 ( 0.165 2.299 -0.180) 2.312 5.286 ( -0.465 0.619 -0.697) 1.041 5.349 ( 1.269 -1.941 -0.287) 2.337 5.942 ( -0.117 1.520 0.655) 1.659 6.481 ( 0.440 0.113 0.101) 0.465 6.813 ( -0.888 3.009 -1.590) 3.517 7.053 ( 1.854 2.642 2.895) 4.336 7.293 ( -0.847 6.045 1.497) 6.285 7.539 ( 1.460 13.277 -0.411) 13.363 7.759 ( -3.069 -2.797 -6.910) 8.062 9.072 ( 2.256 3.208 5.812) 7.012 9.251 ( -1.198 2.750 -1.327) 3.280 9.325 ( -1.292 1.315 -0.675) 1.963 9.452 ( 2.556 -1.191 4.299) 5.141 9.620 ( -0.586 7.271 -1.044) 7.369 9.795 ( 2.659 4.922 6.487) 8.566 10.111 ( -0.104 -2.002 -5.494) 5.848 10.641 ( -0.646 -3.369 -2.821) 4.441 11.082 ( -3.219 -7.270 1.929) 8.181 11.191 ( -3.143 -4.770 -1.667) 5.951 12.018 ( 1.097 -1.350 2.001) 2.651 12.107 ( -0.177 -3.170 -0.886) 3.296 13.195 ( 0.494 4.717 -0.500) 4.770 14.182 ( 1.002 -1.779 0.154) 2.048 14.580 ( 0.058 -0.343 0.437) 0.558 16.708 ( -0.121 4.628 1.002) 4.737 16.771 ( 1.140 5.146 -1.578) 5.501 16.867 ( -0.231 -1.331 0.167) 1.361 18.644 ( -0.559 -1.604 -0.539) 1.782 18.937 ( 0.248 -1.067 0.277) 1.129 19.320 ( -0.370 12.865 0.446) 12.878 19.454 ( 2.737 7.088 -1.843) 7.818 19.569 ( -0.359 -10.039 -0.664) 10.067 19.658 ( -0.694 -8.189 0.049) 8.219 21.578 ( -0.141 -0.358 -0.049) 0.388 21.798 ( 0.393 -1.768 1.922) 2.641 ======================= Grid point 172 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.455 8.112 4.683) 10.372 1.038 ( -1.065 3.068 -0.559) 3.295 1.131 ( -2.447 8.648 1.252) 9.074 1.171 ( 2.650 8.173 2.792) 9.034 1.384 ( 0.467 4.696 -4.432) 6.474 1.445 ( 0.502 -1.441 -3.239) 3.581 1.532 ( 2.341 -0.112 -2.757) 3.619 1.542 ( -0.749 2.636 -1.378) 3.067 1.657 ( 1.184 -0.244 2.061) 2.389 1.713 ( -0.911 -1.645 -1.590) 2.462 1.744 ( -0.463 -2.111 -1.988) 2.936 1.777 ( -3.045 -2.845 -2.449) 4.834 1.938 ( 0.682 0.820 -0.372) 1.130 1.984 ( 0.266 2.718 1.006) 2.911 2.018 ( -3.532 3.345 -2.217) 5.346 2.031 ( 3.630 -0.549 -1.163) 3.851 2.169 ( -0.476 0.260 1.720) 1.803 2.260 ( 2.440 -3.631 -1.164) 4.527 2.352 ( 1.616 -2.558 2.360) 3.837 2.450 ( -2.760 0.437 0.714) 2.884 2.491 ( 2.769 1.997 -1.079) 3.580 2.563 ( -4.470 0.942 -0.153) 4.571 2.734 ( 1.437 -1.345 3.156) 3.719 2.880 ( 3.803 1.642 1.556) 4.425 2.903 ( -1.353 1.232 -2.044) 2.744 2.938 ( -1.649 -0.473 1.582) 2.334 3.025 ( -1.711 0.655 1.835) 2.593 3.064 ( 0.240 3.533 -1.056) 3.695 3.148 ( -3.004 2.210 -2.880) 4.712 3.212 ( 0.795 3.473 1.001) 3.700 3.309 ( -0.469 0.807 1.001) 1.368 3.385 ( -3.229 4.284 -1.465) 5.561 3.392 ( -2.852 2.906 -3.641) 5.462 3.536 ( -4.310 1.948 -0.568) 4.764 3.697 ( 3.428 1.362 2.876) 4.677 3.854 ( 0.288 -2.907 0.842) 3.041 3.923 ( -1.658 1.010 -2.303) 3.012 4.023 ( 2.514 -0.514 4.629) 5.293 4.135 ( -2.248 -3.686 -2.034) 4.772 4.280 ( 3.954 -1.170 -0.202) 4.129 4.371 ( 2.193 0.136 2.653) 3.445 4.471 ( -0.390 3.686 0.649) 3.763 4.583 ( -0.826 2.406 -1.364) 2.886 5.273 ( -0.361 0.202 -0.878) 0.971 5.399 ( 1.825 -1.510 -0.503) 2.421 5.881 ( 0.003 4.579 1.022) 4.692 6.484 ( 1.121 0.318 0.537) 1.283 6.679 ( -1.122 9.747 -2.231) 10.061 6.975 ( 1.903 10.685 1.397) 10.942 7.043 ( -0.882 18.137 0.428) 18.163 7.204 ( 2.106 16.098 0.410) 16.240 7.648 ( -5.708 7.981 -12.054) 15.543 9.050 ( 3.529 2.506 8.442) 9.487 9.120 ( 0.426 11.108 1.457) 11.211 9.292 ( 0.098 2.070 0.267) 2.090 9.424 ( -2.021 7.861 -2.788) 8.582 9.545 ( 5.898 -2.917 12.318) 13.965 9.669 ( 2.765 8.500 5.114) 10.298 10.163 ( 0.589 -4.406 -7.067) 8.349 10.720 ( 1.343 -4.710 -4.353) 6.552 11.185 ( -3.101 -4.491 -5.882) 8.024 11.388 ( -14.393 -19.901 3.861) 24.862 12.101 ( 1.607 -4.642 3.943) 6.299 12.204 ( -0.324 -6.594 -1.666) 6.809 13.019 ( 1.230 13.258 -1.446) 13.393 14.253 ( 1.883 -3.576 0.279) 4.051 14.613 ( 1.079 -3.092 1.549) 3.623 16.543 ( -0.338 12.059 1.578) 12.166 16.590 ( 2.727 12.878 -2.915) 13.482 16.910 ( -0.430 -2.986 0.450) 3.050 18.675 ( -1.105 -1.544 -1.572) 2.465 18.953 ( 1.097 2.502 0.037) 2.732 19.057 ( -1.348 12.057 0.956) 12.169 19.335 ( 4.415 3.714 -3.092) 6.546 19.757 ( 1.879 -6.450 -0.181) 6.721 19.830 ( -2.468 -10.691 1.185) 11.036 21.590 ( -0.289 -0.955 -0.095) 1.003 21.883 ( 1.667 -5.666 2.927) 6.592 ======================= Grid point 173 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -6.873 7.928 7.726) 13.030 0.935 ( 1.606 9.348 5.030) 10.736 0.963 ( -2.425 3.594 -5.522) 7.021 1.023 ( 0.812 9.982 2.883) 10.422 1.213 ( 1.910 9.689 -2.149) 10.107 1.382 ( 3.310 10.419 -1.346) 11.015 1.440 ( -2.472 7.079 -5.176) 9.111 1.537 ( 0.586 -0.451 -0.890) 1.157 1.697 ( -0.037 -0.358 -0.348) 0.501 1.706 ( 0.341 -3.428 -0.666) 3.508 1.780 ( -2.604 -1.033 -0.797) 2.912 1.841 ( -0.492 -2.782 -0.277) 2.838 1.867 ( -0.839 6.077 1.536) 6.324 1.957 ( 2.590 -1.801 0.072) 3.156 1.989 ( -0.681 -0.108 0.751) 1.020 2.052 ( -1.577 2.550 0.180) 3.003 2.117 ( 1.250 -0.115 1.138) 1.694 2.285 ( -0.418 1.135 -1.607) 2.011 2.382 ( 2.220 2.518 -0.728) 3.435 2.429 ( 1.496 -1.174 -0.399) 1.943 2.531 ( -2.546 -6.051 -0.651) 6.597 2.633 ( 1.918 -6.117 -0.743) 6.454 2.772 ( 2.937 3.374 1.582) 4.745 2.818 ( 2.882 3.882 -0.943) 4.926 2.855 ( 1.434 3.529 -2.067) 4.334 2.905 ( -2.798 5.439 0.056) 6.117 2.955 ( -0.322 3.123 2.829) 4.226 3.000 ( -2.813 2.880 -1.580) 4.325 3.092 ( -5.723 -2.190 -2.101) 6.478 3.119 ( -3.535 5.754 1.904) 7.017 3.248 ( 0.329 6.151 3.606) 7.137 3.302 ( -1.894 -0.137 -4.174) 4.586 3.341 ( -2.284 -1.174 -0.903) 2.722 3.490 ( -2.110 0.804 -1.603) 2.769 3.729 ( 2.656 -1.030 2.694) 3.921 3.874 ( -1.488 1.959 -4.162) 4.835 3.942 ( 0.687 -4.872 2.237) 5.405 4.027 ( 0.500 0.961 1.710) 2.024 4.203 ( -1.229 -3.375 -1.218) 3.792 4.335 ( 0.365 1.509 0.881) 1.785 4.342 ( 2.927 2.216 3.720) 5.227 4.403 ( 3.125 1.197 1.497) 3.666 4.584 ( -1.637 -2.955 -0.892) 3.494 5.275 ( 0.235 -0.822 -0.085) 0.859 5.425 ( 1.697 -0.292 -1.320) 2.170 5.775 ( 0.902 6.217 1.942) 6.575 6.368 ( 1.562 28.662 -7.403) 29.644 6.408 ( -2.658 17.357 -2.315) 17.711 6.518 ( -0.588 4.147 -0.955) 4.296 6.896 ( 2.972 8.865 2.537) 9.688 6.954 ( 1.927 10.295 6.383) 12.266 7.397 ( -5.857 9.736 -13.167) 17.392 8.813 ( 0.759 17.751 1.462) 17.827 9.019 ( 2.634 5.504 5.391) 8.142 9.232 ( -0.406 0.781 -1.527) 1.763 9.379 ( -0.098 -1.300 2.454) 2.779 9.498 ( 1.951 7.973 4.407) 9.317 9.748 ( 9.499 -8.116 15.608) 19.993 10.244 ( 1.379 -3.349 -6.074) 7.072 10.839 ( 4.995 -6.004 -3.175) 8.430 11.271 ( -0.836 -7.036 -6.733) 9.774 11.662 ( -22.855 -17.969 3.324) 29.262 12.200 ( 0.308 -2.917 3.562) 4.615 12.344 ( -0.252 -7.728 -1.532) 7.882 12.702 ( 0.967 17.934 -3.401) 18.279 14.314 ( 0.744 -1.126 0.075) 1.351 14.759 ( 3.817 -10.207 3.937) 11.586 16.234 ( -0.632 17.711 -2.177) 17.856 16.336 ( 4.056 14.566 -0.267) 15.123 16.972 ( -0.514 -3.273 0.592) 3.365 18.623 ( 0.400 7.748 -1.070) 7.832 18.801 ( 2.987 12.649 -4.357) 13.708 18.884 ( -4.089 2.596 0.548) 4.874 19.402 ( 4.355 -6.143 -0.022) 7.530 19.836 ( 0.868 -1.495 -0.764) 1.890 20.060 ( -0.269 -12.350 3.581) 12.862 21.610 ( -0.349 -1.201 -0.129) 1.258 22.054 ( 2.824 -9.581 4.185) 10.830 ======================= Grid point 174 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -5.475 6.555 10.264) 13.353 0.733 ( -2.972 13.356 3.768) 14.192 0.849 ( 1.576 3.505 -2.656) 4.672 0.872 ( -0.681 4.115 -6.845) 8.015 1.051 ( 2.020 11.826 1.066) 12.045 1.172 ( 8.820 11.216 12.003) 18.646 1.216 ( -1.688 11.164 -6.180) 12.871 1.538 ( -3.359 -0.754 -4.389) 5.578 1.696 ( 1.281 2.541 2.537) 3.812 1.718 ( 1.192 5.347 3.085) 6.288 1.763 ( -1.351 3.123 -1.163) 3.596 1.788 ( -2.184 3.718 -2.613) 5.042 1.797 ( -1.585 -3.673 -1.406) 4.241 1.943 ( 0.101 -2.018 0.985) 2.248 2.075 ( -2.427 -4.763 2.796) 6.032 2.090 ( 5.023 -4.671 -1.580) 7.039 2.208 ( 2.393 -5.977 -0.510) 6.459 2.271 ( -1.459 -1.279 -1.506) 2.456 2.377 ( -0.124 -2.334 -0.305) 2.357 2.462 ( 2.261 0.547 0.019) 2.327 2.570 ( 1.298 10.137 -0.170) 10.221 2.596 ( -2.228 11.121 0.660) 11.361 2.624 ( -0.248 0.829 -2.281) 2.440 2.746 ( 2.091 3.805 -1.908) 4.742 2.781 ( -1.881 2.731 -1.452) 3.619 2.841 ( -4.812 1.157 -2.667) 5.622 2.861 ( -1.424 4.629 -1.358) 5.030 3.010 ( 6.316 -2.910 1.707) 7.161 3.026 ( -2.199 1.236 1.055) 2.734 3.116 ( 1.342 0.559 -0.016) 1.454 3.182 ( -6.271 -3.808 -0.669) 7.367 3.327 ( -2.560 -1.284 -0.857) 2.989 3.345 ( 0.951 -0.961 1.728) 2.194 3.450 ( -1.378 2.039 -1.975) 3.156 3.721 ( -0.301 4.349 -0.490) 4.387 3.842 ( -0.467 -1.920 -1.107) 2.265 4.019 ( -0.054 -0.242 -1.123) 1.150 4.062 ( 0.354 -5.937 1.663) 6.175 4.191 ( 1.405 5.267 3.391) 6.420 4.263 ( -0.092 0.182 2.085) 2.095 4.359 ( -1.403 1.312 -2.514) 3.164 4.510 ( 3.517 -9.062 2.692) 10.086 4.639 ( -0.998 -2.919 2.200) 3.789 5.318 ( 0.878 -2.086 2.022) 3.035 5.444 ( 1.586 -0.611 -2.505) 3.027 5.666 ( 0.777 9.283 -3.625) 9.996 5.719 ( -1.146 23.330 -3.011) 23.551 6.048 ( 1.515 17.585 -1.358) 17.702 6.515 ( 0.828 -0.452 1.282) 1.591 6.699 ( 3.356 10.530 8.727) 14.082 6.851 ( -0.362 3.611 -2.687) 4.515 7.190 ( -4.001 5.374 -8.615) 10.914 8.508 ( 0.089 11.904 -0.112) 11.905 8.921 ( 0.832 4.736 1.613) 5.072 9.239 ( 0.224 0.026 0.227) 0.320 9.391 ( -0.169 3.071 0.525) 3.120 9.417 ( 1.523 -0.981 5.185) 5.492 10.073 ( 13.813 -12.588 11.773) 22.087 10.292 ( 1.654 -2.329 -3.951) 4.876 11.013 ( 8.259 -6.330 1.456) 10.507 11.422 ( 4.821 -6.893 -4.516) 9.547 11.759 ( -24.946 -8.139 0.380) 26.243 12.090 ( -5.658 15.596 -4.211) 17.116 12.454 ( 1.460 2.705 0.472) 3.110 12.499 ( -1.184 -7.068 0.253) 7.171 14.318 ( 0.042 0.497 -0.008) 0.499 15.098 ( 7.496 -19.505 6.250) 21.810 15.886 ( -0.550 14.660 -2.716) 14.920 16.063 ( 4.561 16.338 -0.014) 16.963 17.025 ( -0.470 -2.099 0.712) 2.266 18.446 ( 1.189 8.892 -0.381) 8.979 18.486 ( 0.023 16.351 -3.645) 16.752 18.878 ( -2.405 -1.862 0.101) 3.043 19.563 ( 2.378 -6.231 -0.239) 6.673 19.849 ( 0.164 0.020 -0.995) 1.008 20.303 ( 3.731 -9.554 4.418) 11.168 21.628 ( -0.312 -0.832 -0.152) 0.902 22.306 ( 3.564 -11.855 3.628) 12.900 ======================= Grid point 176 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 1.094 0.000 5.155) 5.269 0.611 ( 7.855 0.000 10.693) 13.268 0.774 ( -3.113 -0.000 -1.730) 3.562 0.862 ( 2.050 0.000 -0.010) 2.050 0.868 ( 6.502 0.000 -9.381) 11.414 0.999 ( 1.837 0.000 -3.099) 3.603 1.335 ( -10.226 -0.000 -14.681) 17.891 1.465 ( 12.300 0.000 14.314) 18.873 1.636 ( -0.778 -0.000 -2.628) 2.740 1.677 ( 1.795 0.000 1.905) 2.617 1.715 ( -2.757 -0.000 1.157) 2.990 1.739 ( -2.774 -0.000 0.988) 2.945 1.808 ( 0.933 0.000 1.104) 1.446 1.989 ( 0.403 0.000 -0.379) 0.553 2.059 ( -4.628 -0.000 2.948) 5.487 2.185 ( -1.192 -0.000 -2.854) 3.093 2.276 ( -3.882 -0.000 -1.846) 4.298 2.347 ( -1.314 -0.000 -1.365) 1.895 2.371 ( -0.388 -0.000 2.058) 2.094 2.425 ( -3.432 -0.000 5.392) 6.392 2.433 ( 0.434 0.000 0.942) 1.037 2.465 ( 0.451 0.000 -0.249) 0.515 2.580 ( -0.972 -0.000 -3.224) 3.367 2.606 ( 0.208 0.000 -1.594) 1.608 2.779 ( 1.382 0.000 0.894) 1.646 2.819 ( 5.380 0.000 0.373) 5.393 2.878 ( 6.832 0.000 -2.171) 7.168 2.974 ( -1.064 -0.000 2.571) 2.783 3.055 ( -8.249 -0.000 -2.604) 8.651 3.105 ( 0.404 0.000 -1.289) 1.351 3.286 ( 8.547 0.000 1.957) 8.768 3.361 ( -0.756 -0.000 0.194) 0.780 3.391 ( 4.143 0.000 -2.589) 4.885 3.434 ( 6.489 0.000 -0.888) 6.550 3.651 ( 0.702 0.000 0.057) 0.704 3.879 ( -0.487 -0.000 0.365) 0.608 4.012 ( 0.017 0.000 -0.574) 0.574 4.151 ( -0.082 -0.000 0.824) 0.828 4.182 ( -1.546 -0.000 0.810) 1.746 4.215 ( 0.779 0.000 -0.611) 0.990 4.319 ( 0.770 0.000 0.710) 1.047 4.569 ( -7.323 -0.000 3.438) 8.090 4.791 ( 5.982 0.000 -0.358) 5.993 5.270 ( 0.428 0.000 -0.968) 1.058 5.406 ( 0.190 0.000 1.318) 1.332 5.413 ( -5.872 -0.000 -2.785) 6.499 5.657 ( 0.072 0.000 -0.276) 0.285 5.875 ( -1.170 -0.000 -4.109) 4.272 6.537 ( -0.037 -0.000 0.001) 0.037 6.680 ( 0.612 0.000 1.266) 1.406 6.737 ( -1.709 -0.000 -1.432) 2.230 7.095 ( 0.900 0.000 -0.013) 0.900 8.381 ( 0.044 0.000 -0.105) 0.114 8.880 ( -0.280 -0.000 0.086) 0.293 9.228 ( -0.046 -0.000 0.019) 0.049 9.364 ( 0.346 0.000 0.179) 0.389 9.482 ( 0.985 0.000 0.995) 1.400 10.168 ( -6.532 -0.000 -1.767) 6.767 10.401 ( -8.837 -0.000 -9.423) 12.919 11.017 ( -21.537 -0.000 -0.729) 21.550 11.473 ( 11.902 0.000 -0.292) 11.905 11.779 ( 0.038 0.000 0.032) 0.050 12.019 ( 29.412 0.000 6.139) 30.046 12.433 ( -2.656 -0.000 1.667) 3.135 12.614 ( 3.471 0.000 0.064) 3.471 14.311 ( 0.063 0.000 0.002) 0.063 15.492 ( -9.879 -0.000 -10.738) 14.592 15.713 ( -0.307 -0.000 -0.231) 0.384 15.791 ( 0.236 0.000 0.195) 0.306 17.056 ( 1.009 0.000 0.412) 1.090 18.261 ( -0.064 -0.000 -0.016) 0.066 18.373 ( 0.091 0.000 0.007) 0.091 18.912 ( 3.110 0.000 0.596) 3.166 19.579 ( -5.928 -0.000 2.284) 6.353 19.845 ( 0.180 0.000 -0.845) 0.864 20.508 ( 3.134 0.000 -7.508) 8.135 21.638 ( 0.489 0.000 0.033) 0.490 22.397 ( -9.866 -0.000 1.950) 10.057 ======================= Grid point 177 (81/115) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 5.636 -10.158 4.652) 12.514 0.765 ( 5.146 -8.382 6.280) 11.669 0.845 ( -0.723 -6.991 -3.576) 7.886 0.906 ( 6.696 -2.103 -5.084) 8.667 1.075 ( -1.888 -13.894 -5.585) 15.093 1.160 ( 4.312 -11.476 4.939) 13.216 1.273 ( -9.536 -3.535 -15.104) 18.209 1.524 ( 4.269 0.864 4.885) 6.545 1.674 ( -5.866 -0.058 -1.198) 5.987 1.738 ( 0.096 0.600 3.434) 3.487 1.751 ( 0.879 -5.785 -0.542) 5.876 1.775 ( 1.761 -6.688 0.242) 6.921 1.800 ( 4.919 -2.185 4.685) 7.136 1.967 ( 0.545 1.218 -0.651) 1.485 1.991 ( -2.276 3.955 1.715) 4.875 2.141 ( -1.263 4.491 -2.522) 5.303 2.149 ( -4.099 4.217 -0.195) 5.884 2.277 ( 0.450 2.797 -0.822) 2.950 2.343 ( -2.193 2.024 2.319) 3.780 2.447 ( -2.484 -1.068 -1.448) 3.067 2.555 ( -2.312 -4.077 3.169) 5.658 2.573 ( -0.747 -9.351 -0.469) 9.393 2.611 ( -0.568 -8.890 -0.212) 8.911 2.653 ( -3.224 -0.787 0.686) 3.389 2.795 ( 2.751 -1.058 2.496) 3.862 2.913 ( 5.162 -4.411 -1.731) 7.008 2.927 ( 1.352 0.366 -0.058) 1.401 2.953 ( -1.480 1.250 -2.073) 2.837 3.036 ( 0.899 -3.883 2.665) 4.795 3.124 ( 0.411 -2.183 -2.224) 3.143 3.276 ( 6.544 3.002 -0.961) 7.264 3.340 ( 2.077 2.497 1.449) 3.557 3.414 ( 4.519 3.496 -3.922) 6.930 3.483 ( 5.887 -1.743 -0.247) 6.145 3.723 ( 1.038 -5.219 0.336) 5.332 3.832 ( -0.434 3.626 -0.268) 3.662 4.011 ( 0.130 0.498 0.287) 0.589 4.058 ( -1.472 4.517 0.422) 4.769 4.214 ( -0.682 -5.097 -1.064) 5.252 4.284 ( 0.744 3.827 1.595) 4.212 4.328 ( -0.123 -4.659 0.589) 4.698 4.438 ( -5.931 6.178 1.511) 8.697 4.726 ( 3.503 5.976 -2.375) 7.323 5.318 ( -2.010 3.376 -0.543) 3.967 5.389 ( -3.342 -0.429 -0.230) 3.377 5.619 ( 1.499 -21.956 0.859) 22.024 5.725 ( -0.366 -10.654 -0.488) 10.671 6.045 ( -1.867 -16.350 -2.380) 16.628 6.523 ( -0.354 0.704 -0.772) 1.103 6.777 ( -4.072 -7.941 -6.177) 10.853 6.805 ( 1.967 -8.259 4.237) 9.489 7.134 ( 1.827 -2.851 3.104) 4.594 8.506 ( -0.137 -12.097 -0.058) 12.098 8.928 ( -0.587 -5.045 -0.551) 5.109 9.238 ( -0.138 -0.005 -0.009) 0.138 9.394 ( 0.310 -3.539 0.256) 3.562 9.467 ( 0.410 1.724 -1.356) 2.232 10.049 ( -10.453 6.696 -3.907) 13.014 10.251 ( -5.323 4.094 -5.705) 8.812 10.835 ( -13.925 4.301 2.130) 14.729 11.412 ( 8.006 10.097 -1.233) 12.945 12.025 ( 10.573 -9.537 -0.841) 14.264 12.155 ( 17.678 1.408 6.860) 19.014 12.413 ( -2.531 -0.905 0.745) 2.789 12.550 ( 3.419 7.597 -0.679) 8.359 14.316 ( -0.183 -0.238 0.036) 0.302 15.090 ( -7.331 18.906 -5.440) 20.995 15.854 ( -1.153 -13.665 0.315) 13.717 16.057 ( -2.667 -16.572 -4.130) 17.286 17.039 ( 0.931 2.311 0.256) 2.505 18.417 ( -2.563 -12.232 -1.071) 12.544 18.468 ( 0.370 -10.074 0.237) 10.084 18.918 ( 3.764 1.619 0.996) 4.217 19.487 ( -5.834 5.126 2.225) 8.079 19.843 ( -0.120 0.284 -0.719) 0.782 20.392 ( 1.122 10.751 -6.650) 12.691 21.633 ( 0.607 0.913 0.107) 1.102 22.227 ( -8.565 8.632 2.827) 12.484 ======================= Grid point 178 (82/115) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 7.340 -4.960 4.609) 9.986 0.962 ( 6.503 -6.605 -3.622) 9.951 1.002 ( -0.927 -9.304 -3.243) 9.896 1.063 ( 2.682 -10.478 1.154) 10.877 1.202 ( -5.940 -4.563 -9.218) 11.877 1.366 ( -1.909 -9.060 -4.828) 10.442 1.383 ( 3.983 -5.022 8.312) 10.496 1.528 ( -1.847 -0.616 -1.909) 2.727 1.649 ( -3.257 -1.223 1.196) 3.679 1.698 ( 0.199 1.049 0.064) 1.069 1.809 ( 3.733 2.197 1.124) 4.475 1.864 ( -0.316 3.196 -0.686) 3.284 1.877 ( 1.229 -2.340 1.022) 2.833 1.934 ( 1.237 -1.760 -0.945) 2.350 2.005 ( -3.388 4.108 1.271) 5.474 2.043 ( 2.700 -2.587 -0.117) 3.741 2.161 ( 1.775 -5.556 -2.037) 6.178 2.262 ( -0.975 0.547 1.241) 1.670 2.322 ( -3.629 -3.661 1.615) 5.402 2.412 ( -2.060 1.119 -1.567) 2.820 2.543 ( 0.023 3.416 -0.010) 3.416 2.624 ( -0.393 3.044 -0.939) 3.210 2.735 ( -3.401 -5.626 3.401) 7.402 2.737 ( -3.375 -5.976 -0.251) 6.867 2.840 ( 0.272 -0.397 0.835) 0.963 2.926 ( 1.286 -5.870 1.455) 6.183 2.982 ( 0.129 -1.440 -1.302) 1.946 3.039 ( 5.698 -2.830 1.823) 6.618 3.129 ( 2.689 -2.784 1.836) 4.284 3.183 ( 1.095 -0.789 -2.760) 3.072 3.281 ( 2.151 2.575 2.488) 4.177 3.319 ( 3.197 -3.498 -1.879) 5.098 3.377 ( 3.653 1.031 -2.348) 4.463 3.547 ( 6.847 -0.578 -1.011) 6.945 3.754 ( -1.885 1.582 -4.331) 4.982 3.826 ( 0.602 -2.752 2.672) 3.882 3.940 ( -1.203 4.261 0.427) 4.448 4.049 ( -0.091 -2.130 -0.488) 2.187 4.166 ( -0.953 5.986 3.087) 6.802 4.308 ( -3.274 3.090 0.709) 4.557 4.345 ( -1.886 -5.353 -1.946) 6.000 4.404 ( -0.885 -4.616 -1.030) 4.812 4.628 ( 2.297 5.233 -2.052) 6.072 5.270 ( -0.025 0.917 0.169) 0.933 5.384 ( -2.621 -0.970 0.063) 2.795 5.793 ( -0.283 -5.728 -1.211) 5.861 6.268 ( -0.721 -27.676 2.751) 27.822 6.425 ( 0.522 -22.591 -0.502) 22.603 6.516 ( 0.489 -1.567 0.279) 1.665 6.888 ( -2.170 -6.772 -1.027) 7.185 7.044 ( -3.624 -13.267 -8.852) 16.356 7.268 ( 5.684 -7.888 12.514) 15.847 8.820 ( -0.744 -18.419 -0.670) 18.447 9.053 ( -1.796 -7.778 -2.774) 8.451 9.214 ( 0.388 1.503 1.328) 2.043 9.419 ( 0.265 2.092 -1.850) 2.805 9.527 ( -0.788 -9.042 -1.761) 9.245 9.813 ( -8.754 8.111 -6.708) 13.690 10.158 ( -3.284 3.045 -0.865) 4.561 10.696 ( -4.970 3.634 4.696) 7.743 11.260 ( 7.158 9.249 1.507) 11.792 11.968 ( 20.314 20.476 3.764) 29.088 12.220 ( -0.581 2.817 -0.367) 2.900 12.345 ( 0.933 9.003 -0.730) 9.081 12.662 ( -1.826 -18.836 -1.082) 18.955 14.300 ( -1.319 1.792 -0.014) 2.225 14.755 ( -3.905 10.027 -2.354) 11.015 16.180 ( -1.816 -18.534 1.549) 18.687 16.342 ( -1.649 -14.256 -3.668) 14.812 16.986 ( 0.717 3.439 0.053) 3.513 18.612 ( -0.741 -8.037 -1.075) 8.142 18.732 ( -1.363 -14.317 0.652) 14.396 18.931 ( 2.671 -1.857 0.977) 3.397 19.331 ( -4.842 6.333 1.443) 8.102 19.819 ( -1.118 2.047 -0.418) 2.370 20.141 ( 1.549 13.442 -4.108) 14.141 21.614 ( 0.503 1.304 0.122) 1.403 22.016 ( -4.936 7.758 1.868) 9.383 ======================= Grid point 179 (83/115) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.717 -3.618 -1.103) 4.154 1.091 ( 3.337 -3.784 -1.571) 5.284 1.201 ( 3.438 -8.467 -1.684) 9.292 1.216 ( -2.569 -5.598 -7.225) 9.494 1.311 ( 0.354 -8.984 2.418) 9.310 1.415 ( 1.489 4.013 3.601) 5.594 1.450 ( -0.145 -1.078 2.132) 2.393 1.541 ( -2.873 -2.230 -2.390) 4.352 1.664 ( 0.319 2.534 2.323) 3.453 1.700 ( -1.230 0.557 -3.715) 3.953 1.758 ( 2.534 -0.590 0.010) 2.602 1.814 ( 3.749 2.170 0.019) 4.332 1.894 ( -2.340 0.959 1.849) 3.133 1.949 ( -2.344 -0.962 1.163) 2.788 2.020 ( 1.156 -3.637 -1.872) 4.250 2.062 ( 3.134 1.227 0.388) 3.388 2.195 ( 1.228 1.191 -0.234) 1.726 2.223 ( -2.427 2.456 -1.506) 3.767 2.355 ( -3.186 0.792 -2.438) 4.090 2.449 ( -1.892 -3.920 0.335) 4.366 2.513 ( 3.866 -0.493 0.437) 3.921 2.607 ( 1.316 -1.719 -0.679) 2.268 2.731 ( -2.389 0.596 0.417) 2.497 2.841 ( -0.535 -3.403 2.664) 4.354 2.860 ( -3.027 -1.104 0.635) 3.284 2.999 ( 1.529 -0.382 -2.224) 2.726 3.026 ( -1.492 -1.444 -0.520) 2.141 3.108 ( 6.325 0.114 2.528) 6.812 3.141 ( 1.971 0.377 2.171) 2.957 3.208 ( 0.562 -3.947 0.634) 4.037 3.337 ( 2.491 -2.748 -0.475) 3.739 3.376 ( 1.342 0.286 2.624) 2.961 3.405 ( 0.368 -3.266 -2.819) 4.330 3.607 ( 4.941 -0.205 -0.180) 4.948 3.715 ( -1.476 -0.075 -3.613) 3.904 3.855 ( -0.945 0.670 -0.838) 1.430 3.899 ( 0.770 -1.151 1.727) 2.214 4.043 ( -0.705 3.545 0.396) 3.636 4.110 ( -0.680 -1.689 2.458) 3.059 4.230 ( -2.970 2.350 -0.040) 3.787 4.392 ( -2.070 -1.124 -3.448) 4.176 4.488 ( 0.526 -1.790 -0.658) 1.979 4.591 ( 1.143 -2.223 -0.474) 2.544 5.270 ( 0.745 -0.394 0.291) 0.891 5.372 ( -2.039 0.843 -0.344) 2.233 5.889 ( -0.003 -3.967 0.111) 3.968 6.479 ( -1.100 -0.749 -0.857) 1.583 6.662 ( 0.687 -11.066 1.264) 11.159 6.951 ( -1.113 -13.181 1.541) 13.317 7.077 ( 1.870 -21.365 -1.380) 21.491 7.219 ( -5.255 -10.012 -6.662) 13.124 7.531 ( 6.773 -9.696 12.720) 17.369 9.120 ( -2.727 -2.201 -5.397) 6.435 9.133 ( -0.748 -9.905 -1.177) 10.002 9.278 ( -0.060 -5.654 1.838) 5.946 9.420 ( 0.500 -5.348 -0.035) 5.372 9.605 ( -5.978 6.636 -5.133) 10.302 9.715 ( -2.240 -10.551 -4.754) 11.787 10.073 ( -0.149 4.019 2.618) 4.798 10.629 ( -0.341 2.415 5.084) 5.638 11.173 ( 6.560 4.647 3.785) 8.886 11.602 ( 10.686 25.363 -0.293) 27.524 12.124 ( -2.564 4.447 -2.761) 5.829 12.185 ( 0.909 7.252 1.657) 7.494 12.997 ( -1.028 -14.340 -0.785) 14.398 14.228 ( -2.234 3.427 -0.187) 4.095 14.617 ( -1.060 2.925 -0.829) 3.219 16.518 ( -1.421 -15.309 1.471) 15.445 16.579 ( -0.805 -10.601 -2.271) 10.872 16.922 ( 0.481 3.106 -0.179) 3.148 18.674 ( 1.275 1.023 0.326) 1.667 18.950 ( -0.433 -4.855 -1.322) 5.050 19.078 ( 0.640 -11.608 0.326) 11.631 19.241 ( -3.630 -2.848 2.390) 5.196 19.731 ( -1.681 6.083 -0.029) 6.311 19.897 ( 2.208 11.627 -2.960) 12.199 21.592 ( 0.353 1.045 0.107) 1.108 21.866 ( -2.689 4.884 1.142) 5.690 ======================= Grid point 180 (84/115) ======================= q-point: ( 0.56 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.870 -1.323 -2.966) 3.748 1.168 ( 1.893 -3.488 -2.259) 4.566 1.242 ( -0.386 4.417 1.056) 4.558 1.360 ( 1.999 -4.875 -0.338) 5.280 1.366 ( -0.798 -2.096 -1.343) 2.614 1.440 ( -0.438 -1.059 -1.755) 2.096 1.486 ( 1.104 -1.846 2.541) 3.329 1.548 ( -1.415 -1.864 1.148) 2.606 1.598 ( 1.615 1.633 1.407) 2.694 1.667 ( -0.807 2.015 -0.496) 2.227 1.741 ( 0.444 2.218 -3.870) 4.482 1.795 ( 1.759 3.156 -1.259) 3.826 1.907 ( -2.291 -3.332 -0.793) 4.121 1.967 ( -0.525 -1.148 0.891) 1.545 2.055 ( 3.549 1.922 2.644) 4.825 2.074 ( 0.454 -1.345 0.640) 1.557 2.154 ( 0.031 0.837 -1.841) 2.022 2.202 ( 1.466 0.303 -3.267) 3.594 2.315 ( -2.907 0.253 -1.874) 3.468 2.485 ( -1.846 -0.160 -0.430) 1.903 2.553 ( 3.808 -1.182 2.093) 4.503 2.603 ( 0.013 3.334 -1.754) 3.768 2.729 ( -2.689 -1.646 0.500) 3.192 2.860 ( -2.162 -1.302 1.116) 2.759 2.887 ( -0.509 -1.202 1.200) 1.773 2.994 ( -1.721 0.706 -0.928) 2.079 3.010 ( 3.191 0.312 1.089) 3.386 3.144 ( 2.734 2.270 2.804) 4.527 3.185 ( 1.722 -3.022 0.210) 3.484 3.270 ( -0.553 0.065 -1.492) 1.593 3.318 ( 0.002 0.287 1.956) 1.977 3.426 ( -1.533 -1.629 1.487) 2.686 3.480 ( 4.794 -1.173 -3.646) 6.136 3.591 ( -2.634 0.617 -2.343) 3.579 3.729 ( 0.426 -0.762 3.297) 3.410 3.830 ( -0.969 1.369 -1.902) 2.535 3.929 ( 0.818 -1.199 -0.553) 1.553 3.998 ( 1.329 1.494 1.505) 2.503 4.121 ( -3.396 0.416 3.981) 5.249 4.207 ( 1.018 -1.554 -1.613) 2.461 4.367 ( 0.160 1.240 -2.433) 2.735 4.522 ( 0.698 -1.375 0.443) 1.604 4.651 ( -0.630 -1.781 -1.272) 2.277 5.289 ( 0.588 -0.536 -0.192) 0.819 5.335 ( -0.929 0.773 -0.393) 1.271 5.944 ( -0.060 -1.368 0.558) 1.478 6.480 ( -0.410 -0.257 -0.448) 0.660 6.807 ( 0.332 -3.357 0.187) 3.379 7.061 ( -0.339 -2.703 0.032) 2.725 7.307 ( -1.747 -3.642 -0.934) 4.146 7.544 ( -0.634 -16.551 -2.474) 16.747 7.695 ( 4.175 -0.049 6.779) 7.962 9.115 ( -0.922 -0.404 -1.747) 2.016 9.246 ( -0.860 -2.271 -0.845) 2.571 9.322 ( 0.160 -0.783 0.939) 1.233 9.467 ( -2.578 2.790 -1.953) 4.272 9.608 ( -1.222 -8.089 -0.151) 8.182 9.846 ( -0.254 -2.276 -1.923) 2.991 10.051 ( 0.532 -2.094 1.889) 2.870 10.609 ( 1.256 0.329 2.607) 2.913 11.134 ( 3.077 6.631 0.541) 7.331 11.215 ( 2.009 12.450 0.453) 12.619 12.029 ( -1.573 2.266 -1.722) 3.252 12.095 ( 0.505 2.311 1.054) 2.589 13.189 ( -0.258 -5.365 -0.418) 5.387 14.170 ( -0.919 0.682 -0.091) 1.148 14.583 ( -0.149 0.607 -0.100) 0.633 16.714 ( -0.227 -4.174 0.273) 4.189 16.748 ( -0.569 -6.804 -0.408) 6.840 16.876 ( 0.228 1.723 -0.423) 1.789 18.645 ( 0.638 1.717 0.229) 1.846 18.942 ( -0.181 1.582 -0.798) 1.781 19.321 ( -0.584 -12.040 0.076) 12.055 19.407 ( -0.253 -11.095 1.593) 11.211 19.558 ( -0.640 10.116 0.422) 10.145 19.696 ( 1.140 9.439 -3.025) 9.978 21.579 ( 0.145 0.458 0.061) 0.484 21.793 ( -1.058 1.251 1.259) 2.066 ======================= Grid point 181 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -4.090 2.465 -2.227) 5.269 1.108 ( 0.772 6.817 -0.152) 6.862 1.270 ( 0.308 -3.710 -0.729) 3.793 1.296 ( -0.523 7.787 3.886) 8.719 1.378 ( 0.966 2.832 1.104) 3.190 1.470 ( -0.188 -2.843 -3.470) 4.490 1.509 ( 0.122 0.985 -2.740) 2.915 1.586 ( 1.985 1.106 3.015) 3.775 1.617 ( -0.594 -3.197 -2.308) 3.987 1.672 ( 1.829 -1.810 0.162) 2.579 1.713 ( -1.719 -1.083 -3.497) 4.045 1.748 ( 0.304 1.574 -1.406) 2.133 1.949 ( -4.211 -2.840 -1.451) 5.282 1.964 ( 0.139 1.087 -1.199) 1.624 2.041 ( 2.643 1.905 2.562) 4.145 2.097 ( 1.721 0.155 0.228) 1.743 2.167 ( 0.989 0.331 -4.308) 4.432 2.195 ( 2.022 -2.450 -0.831) 3.283 2.319 ( -1.145 -1.411 0.801) 1.985 2.445 ( -4.231 1.475 -1.431) 4.704 2.518 ( -0.473 3.246 -1.269) 3.517 2.599 ( 2.591 -0.208 3.634) 4.468 2.734 ( -1.723 -0.148 1.626) 2.374 2.874 ( -2.799 -0.946 -1.898) 3.512 2.908 ( 1.912 -0.880 3.306) 3.919 2.947 ( -1.125 1.949 0.111) 2.253 3.058 ( 2.252 0.571 2.992) 3.789 3.101 ( 0.460 1.388 -0.118) 1.467 3.202 ( 2.764 2.630 -3.166) 4.958 3.255 ( -1.249 0.180 1.457) 1.927 3.315 ( -0.815 1.209 1.739) 2.270 3.414 ( -3.249 1.000 -1.876) 3.882 3.456 ( 1.634 3.853 -1.616) 4.486 3.552 ( -3.154 2.136 -2.100) 4.350 3.739 ( -0.616 0.247 0.864) 1.090 3.820 ( 1.375 -0.972 1.684) 2.381 3.938 ( 0.079 0.938 -0.331) 0.998 4.001 ( -0.051 -1.986 -1.597) 2.549 4.098 ( -1.167 0.665 5.606) 5.764 4.265 ( 2.801 -2.466 -1.733) 4.114 4.367 ( 1.367 -0.984 0.723) 1.833 4.531 ( 1.129 1.582 0.272) 1.963 4.631 ( -2.005 2.353 -1.556) 3.461 5.277 ( -0.487 0.729 -0.796) 1.184 5.363 ( 0.873 -2.644 -0.369) 2.809 5.942 ( -0.221 1.543 0.367) 1.602 6.486 ( 0.159 -0.451 -0.013) 0.479 6.806 ( 0.136 3.744 0.066) 3.747 7.073 ( 0.290 1.296 -0.260) 1.353 7.296 ( 0.245 4.993 4.225) 6.545 7.558 ( 1.342 15.395 -0.359) 15.457 7.691 ( -3.341 0.097 -7.762) 8.451 9.115 ( 1.434 0.586 2.910) 3.296 9.238 ( -0.269 2.591 1.334) 2.927 9.309 ( -0.774 1.047 0.506) 1.397 9.497 ( 2.005 -4.813 3.795) 6.449 9.623 ( 0.734 7.334 2.362) 7.740 9.843 ( 1.761 2.795 3.198) 4.598 10.073 ( -2.386 -0.949 -6.895) 7.358 10.645 ( 1.966 -2.400 -0.811) 3.207 11.052 ( -2.168 -4.914 2.387) 5.878 11.134 ( -3.640 0.729 -3.262) 4.942 12.035 ( 0.516 -2.952 1.877) 3.536 12.103 ( 0.105 -2.802 -0.802) 2.917 13.200 ( 0.321 4.275 -0.495) 4.316 14.195 ( 0.687 -2.940 0.171) 3.024 14.583 ( 0.138 -0.702 0.499) 0.872 16.712 ( 0.111 4.415 1.466) 4.653 16.776 ( 0.436 4.354 -2.041) 4.829 16.865 ( -0.100 -1.158 0.095) 1.166 18.634 ( -0.564 -0.703 -0.623) 1.095 18.943 ( 0.500 -1.600 0.514) 1.753 19.318 ( -0.150 13.091 0.879) 13.121 19.478 ( 1.379 7.223 -3.856) 8.304 19.558 ( -0.600 -11.815 0.449) 11.839 19.656 ( 0.273 -7.683 0.241) 7.691 21.577 ( -0.053 -0.202 -0.006) 0.209 21.808 ( 0.164 -2.786 1.916) 3.385 ======================= Grid point 182 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.286 8.356 4.297) 9.670 1.002 ( -0.958 3.827 -6.420) 7.535 1.136 ( 0.617 8.344 5.200) 9.852 1.224 ( 2.738 7.424 5.239) 9.490 1.370 ( -0.306 6.226 -4.674) 7.792 1.426 ( -1.409 -1.222 -5.031) 5.365 1.488 ( -2.209 -0.067 -4.061) 4.624 1.602 ( 4.364 1.078 1.730) 4.816 1.663 ( -0.477 -1.058 -0.078) 1.163 1.700 ( -0.957 1.132 -1.065) 1.825 1.720 ( -1.509 -1.827 -0.320) 2.391 1.758 ( 0.934 -3.873 -2.684) 4.804 1.944 ( -2.190 -0.210 -2.556) 3.372 1.957 ( -1.029 0.140 1.643) 1.943 1.985 ( -0.007 4.140 0.320) 4.152 2.078 ( 2.147 1.174 -0.778) 2.568 2.187 ( 2.734 2.690 2.078) 4.362 2.288 ( 1.563 -2.410 -1.062) 3.063 2.353 ( -4.528 -6.084 -2.345) 7.938 2.416 ( 0.798 -0.685 1.419) 1.766 2.499 ( -0.278 -4.070 -1.058) 4.215 2.550 ( 1.230 7.495 2.096) 7.879 2.758 ( 0.697 -2.528 3.361) 4.263 2.861 ( -2.479 0.110 -3.274) 4.108 2.904 ( -1.416 1.495 0.056) 2.060 2.947 ( 2.500 -0.866 2.916) 3.938 3.017 ( -0.470 2.030 1.003) 2.313 3.075 ( -0.418 3.729 -0.558) 3.794 3.120 ( 1.465 7.183 -1.893) 7.571 3.212 ( -1.555 3.450 0.306) 3.797 3.298 ( -1.013 -0.334 -0.651) 1.249 3.336 ( -1.713 3.541 0.459) 3.960 3.367 ( -0.759 5.426 -1.072) 5.583 3.492 ( -1.407 1.019 -1.952) 2.613 3.745 ( 2.128 -0.102 2.537) 3.313 3.862 ( 0.123 -2.179 -0.517) 2.243 3.904 ( -0.218 1.337 0.372) 1.405 4.066 ( 1.732 -0.881 1.987) 2.779 4.090 ( -2.838 -2.804 -0.377) 4.007 4.319 ( 1.791 -1.506 -0.360) 2.368 4.422 ( 3.139 -2.139 2.899) 4.778 4.472 ( 0.607 4.924 0.862) 5.036 4.554 ( -2.418 2.403 -2.718) 4.360 5.267 ( -0.235 -0.018 -0.774) 0.809 5.417 ( 0.877 -1.751 -0.458) 2.011 5.884 ( 0.044 4.054 0.558) 4.092 6.497 ( 0.521 -0.320 0.333) 0.696 6.659 ( -0.883 10.620 -1.162) 10.720 6.994 ( 0.669 19.655 -1.250) 19.706 7.039 ( 0.069 11.971 0.231) 11.973 7.238 ( 1.953 12.965 5.203) 14.106 7.534 ( -5.220 9.465 -12.464) 16.498 9.111 ( 1.790 6.700 4.578) 8.310 9.137 ( 1.384 4.229 2.797) 5.256 9.294 ( -0.007 3.016 -0.280) 3.029 9.400 ( -0.780 9.304 0.504) 9.350 9.657 ( 4.475 -7.808 9.663) 13.205 9.718 ( 2.317 10.521 4.653) 11.735 10.135 ( -1.342 -6.696 -6.679) 9.552 10.723 ( 0.528 -5.258 -4.152) 6.721 11.130 ( -4.335 -4.540 -4.731) 7.860 11.249 ( -4.360 -13.779 3.407) 14.848 12.127 ( 0.477 -4.698 3.916) 6.135 12.197 ( 0.080 -6.395 -2.091) 6.728 13.027 ( 0.510 13.118 -1.294) 13.191 14.273 ( 0.744 -3.535 0.205) 3.618 14.632 ( 0.855 -4.479 1.415) 4.774 16.543 ( -0.488 12.976 1.739) 13.101 16.611 ( 1.513 11.199 -3.069) 11.710 16.907 ( -0.134 -2.878 0.349) 2.902 18.657 ( -0.762 -1.660 -1.221) 2.197 18.968 ( 0.885 2.072 -0.276) 2.270 19.046 ( -0.604 13.466 1.462) 13.558 19.362 ( 0.813 2.006 -3.776) 4.352 19.783 ( 1.575 -5.181 -0.437) 5.432 19.809 ( -0.684 -12.271 1.284) 12.357 21.587 ( -0.095 -0.855 -0.038) 0.861 21.908 ( 0.564 -6.613 2.788) 7.199 ======================= Grid point 183 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.013 9.189 8.182) 12.304 0.889 ( 0.183 5.519 -10.741) 12.078 1.006 ( 1.744 7.240 4.544) 8.724 1.037 ( 0.299 12.735 1.416) 12.817 1.235 ( 1.586 5.988 3.368) 7.051 1.372 ( -3.367 5.909 -7.689) 10.265 1.437 ( 2.947 5.515 -0.958) 6.326 1.541 ( 0.576 5.300 -0.927) 5.411 1.693 ( -0.402 -2.041 -0.205) 2.090 1.704 ( -0.452 -2.870 0.324) 2.923 1.746 ( -1.786 -0.541 -0.491) 1.929 1.842 ( 0.638 -3.251 0.409) 3.338 1.863 ( -0.259 5.054 1.489) 5.276 1.976 ( -2.063 -2.213 1.159) 3.240 1.988 ( 1.184 1.997 0.769) 2.446 2.038 ( 0.465 0.758 -0.037) 0.890 2.134 ( 0.504 0.288 0.422) 0.718 2.271 ( -0.561 1.736 -1.704) 2.497 2.399 ( -0.389 5.133 -0.634) 5.186 2.448 ( 1.017 -1.632 -0.812) 2.088 2.493 ( -0.766 -8.614 -1.027) 8.709 2.669 ( 1.947 -6.266 0.156) 6.563 2.774 ( -0.635 4.186 0.144) 4.237 2.792 ( -3.297 4.564 -2.224) 6.054 2.895 ( 0.772 -0.897 2.011) 2.334 2.918 ( -2.423 8.086 0.527) 8.458 2.959 ( 6.698 6.247 0.343) 9.165 2.987 ( -1.660 1.354 -2.672) 3.425 3.029 ( -0.627 -1.210 0.352) 1.407 3.083 ( -1.112 5.718 2.356) 6.283 3.237 ( -0.433 5.698 -1.946) 6.037 3.295 ( 0.118 -1.380 1.317) 1.911 3.335 ( 0.932 -0.360 -1.040) 1.442 3.467 ( -0.214 0.951 -1.975) 2.203 3.764 ( 1.459 -0.391 1.855) 2.392 3.843 ( -1.205 2.651 -3.577) 4.612 3.960 ( 0.519 -4.942 2.258) 5.459 4.035 ( 0.157 2.020 1.071) 2.292 4.180 ( -1.512 -5.237 -0.365) 5.463 4.349 ( 1.061 5.249 1.901) 5.682 4.360 ( -0.967 0.395 2.187) 2.424 4.448 ( 1.507 0.775 -0.190) 1.705 4.566 ( 0.375 -4.383 -1.062) 4.525 5.276 ( -0.056 -1.414 -0.095) 1.418 5.435 ( 0.027 -0.049 -0.942) 0.943 5.792 ( 0.727 5.390 0.916) 5.516 6.328 ( -3.839 30.869 -2.091) 31.177 6.397 ( 2.123 18.955 -5.163) 19.760 6.515 ( 0.041 0.516 -0.173) 0.546 6.925 ( 0.282 6.883 1.184) 6.990 7.010 ( 2.917 12.955 8.457) 15.744 7.287 ( -4.479 8.517 -11.994) 15.378 8.825 ( 0.401 18.186 0.986) 18.217 9.060 ( 1.417 8.123 2.971) 8.764 9.219 ( -0.664 -1.323 -1.538) 2.135 9.392 ( 0.746 -2.367 2.938) 3.846 9.526 ( 0.897 9.518 1.859) 9.739 9.899 ( 4.991 -11.716 9.724) 16.023 10.233 ( -0.558 -3.970 -3.698) 5.454 10.860 ( -1.336 -9.455 -3.221) 10.077 11.241 ( -6.039 -9.470 -1.016) 11.278 11.488 ( 2.931 -10.433 0.849) 10.871 12.212 ( -0.116 -1.876 3.556) 4.022 12.340 ( 0.418 -8.005 -1.962) 8.252 12.700 ( -0.017 18.437 -2.442) 18.598 14.319 ( 0.001 -0.793 0.053) 0.795 14.807 ( 1.354 -12.521 2.321) 12.806 16.217 ( -1.176 18.174 -0.545) 18.220 16.375 ( 1.826 13.252 -2.045) 13.533 16.970 ( -0.006 -3.192 0.463) 3.226 18.623 ( 0.200 6.802 -0.956) 6.872 18.801 ( -2.040 13.034 -2.677) 13.461 18.860 ( 1.201 3.584 0.369) 3.798 19.425 ( -0.762 -6.951 -0.469) 7.009 19.840 ( 0.012 -1.202 -0.662) 1.372 20.085 ( 2.580 -13.870 1.065) 14.148 21.607 ( -0.037 -1.114 -0.062) 1.117 22.085 ( -0.295 -10.582 3.682) 11.208 ======================= Grid point 186 (88/115) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.970 0.000 2.011) 2.232 0.729 ( -2.253 -0.000 -1.513) 2.713 0.771 ( 10.179 0.000 7.884) 12.875 0.871 ( -0.098 -0.000 -3.186) 3.188 0.960 ( 9.648 0.000 -4.327) 10.574 1.051 ( 5.156 0.000 3.976) 6.511 1.140 ( -10.571 -0.000 -18.187) 21.036 1.600 ( 1.628 0.000 2.564) 3.038 1.608 ( -1.592 -0.000 -3.476) 3.823 1.626 ( -6.224 -0.000 -0.066) 6.224 1.713 ( 2.348 0.000 1.614) 2.849 1.773 ( 2.645 0.000 2.478) 3.625 1.845 ( 4.806 0.000 4.625) 6.669 1.981 ( -0.422 -0.000 0.485) 0.643 2.027 ( -1.343 -0.000 -0.233) 1.363 2.138 ( -3.564 -0.000 -2.740) 4.496 2.225 ( -3.143 -0.000 -0.368) 3.165 2.319 ( -1.751 -0.000 -0.990) 2.012 2.372 ( -0.806 -0.000 1.553) 1.750 2.374 ( -5.034 -0.000 1.296) 5.198 2.433 ( -1.745 -0.000 4.857) 5.161 2.465 ( -0.113 -0.000 -1.417) 1.421 2.550 ( -3.354 -0.000 1.136) 3.541 2.611 ( 1.011 0.000 -0.253) 1.042 2.826 ( 3.844 0.000 5.191) 6.459 2.901 ( 5.921 0.000 -1.727) 6.168 2.945 ( -5.926 -0.000 -3.168) 6.719 2.960 ( -2.345 -0.000 1.677) 2.882 2.979 ( 7.557 0.000 0.427) 7.569 3.112 ( 1.743 0.000 -1.163) 2.096 3.343 ( -1.952 -0.000 -0.179) 1.960 3.374 ( 3.460 0.000 -2.508) 4.273 3.469 ( 9.678 0.000 -1.717) 9.829 3.551 ( 9.445 0.000 -0.674) 9.469 3.669 ( 1.607 0.000 1.197) 2.004 3.868 ( -1.076 -0.000 0.185) 1.092 4.009 ( -0.543 -0.000 -0.721) 0.903 4.141 ( -1.218 -0.000 -1.718) 2.105 4.157 ( -2.185 -0.000 0.595) 2.265 4.226 ( 1.127 0.000 -0.435) 1.208 4.346 ( 2.068 0.000 2.901) 3.563 4.490 ( -5.503 -0.000 3.053) 6.293 4.839 ( 0.957 0.000 -2.790) 2.950 5.234 ( -2.339 -0.000 -5.981) 6.422 5.336 ( -2.617 -0.000 -2.010) 3.299 5.478 ( 5.395 0.000 10.436) 11.748 5.655 ( 0.237 0.000 -0.097) 0.256 5.806 ( -5.606 -0.000 -6.418) 8.522 6.532 ( -0.429 -0.000 -1.027) 1.113 6.615 ( -5.586 -0.000 -9.703) 11.196 6.766 ( 2.210 0.000 6.371) 6.744 7.127 ( 2.451 0.000 4.337) 4.982 8.384 ( 0.275 0.000 0.312) 0.415 8.870 ( -0.881 -0.000 -0.833) 1.212 9.229 ( 0.081 0.000 0.313) 0.324 9.374 ( 0.867 0.000 0.836) 1.204 9.478 ( -0.929 -0.000 -4.344) 4.442 10.025 ( -13.268 -0.000 -5.359) 14.310 10.243 ( -7.524 -0.000 -7.586) 10.684 10.786 ( -11.805 -0.000 2.359) 12.038 11.642 ( 12.609 0.000 -7.416) 14.628 11.780 ( 0.007 0.000 -0.079) 0.079 12.386 ( 10.729 0.000 3.993) 11.448 12.412 ( 4.417 0.000 5.257) 6.866 12.708 ( 12.462 0.000 5.184) 13.498 14.312 ( 0.105 0.000 0.018) 0.107 15.267 ( -14.754 -0.000 -14.390) 20.610 15.701 ( -0.907 -0.000 -1.173) 1.483 15.801 ( 0.774 0.000 1.098) 1.343 17.070 ( 0.838 0.000 -0.035) 0.839 18.260 ( -0.117 -0.000 -0.054) 0.129 18.375 ( 0.152 0.000 0.036) 0.156 18.966 ( 3.961 0.000 1.570) 4.261 19.500 ( -6.433 -0.000 2.513) 6.907 19.846 ( 0.280 0.000 -0.915) 0.957 20.491 ( -1.442 -0.000 -8.774) 8.892 21.648 ( 0.932 0.000 0.236) 0.961 22.252 ( -11.460 -0.000 2.529) 11.736 ======================= Grid point 187 (89/115) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 2.073 -14.849 0.711) 15.009 0.823 ( -0.798 -7.632 -0.389) 7.683 0.890 ( 8.395 -3.933 5.335) 10.696 1.005 ( 4.837 -2.635 -1.923) 5.834 1.023 ( -0.489 -7.110 -7.145) 10.092 1.104 ( -6.540 -8.919 -13.444) 17.409 1.238 ( 4.417 -11.273 4.957) 13.082 1.530 ( -4.000 1.139 -2.306) 4.756 1.604 ( -3.151 -0.608 3.457) 4.717 1.738 ( -0.686 -0.623 1.511) 1.772 1.747 ( -0.142 -5.384 -4.191) 6.825 1.805 ( 1.957 -4.813 0.865) 5.267 1.909 ( 6.055 -2.220 1.821) 6.701 1.960 ( -0.948 3.450 -0.090) 3.579 1.999 ( 3.568 -0.505 0.275) 3.614 2.097 ( -3.510 5.917 1.202) 6.984 2.103 ( -2.152 1.370 -2.439) 3.529 2.273 ( -0.659 1.767 -0.196) 1.896 2.327 ( -1.818 2.259 4.584) 5.424 2.417 ( -1.349 -1.507 -0.009) 2.023 2.522 ( -3.558 -2.785 1.848) 4.882 2.541 ( -4.521 -8.721 1.884) 10.002 2.595 ( -0.045 -6.257 -1.873) 6.532 2.638 ( -0.169 -3.247 0.800) 3.349 2.841 ( 1.374 -0.449 4.512) 4.737 2.859 ( -5.184 2.936 -1.255) 6.089 2.969 ( 3.970 -2.211 -2.514) 5.193 3.003 ( 3.893 -3.748 0.143) 5.405 3.072 ( 2.638 -4.175 4.285) 6.538 3.138 ( 2.294 -1.193 -0.904) 2.739 3.301 ( -0.816 1.400 -1.329) 2.096 3.383 ( 3.262 0.774 -3.011) 4.507 3.504 ( 8.585 6.979 -1.397) 11.152 3.569 ( 6.916 -1.424 -1.066) 7.141 3.738 ( 0.781 -2.532 -1.264) 2.936 3.831 ( 0.355 2.143 1.996) 2.950 4.014 ( -0.644 -1.214 -0.733) 1.558 4.039 ( -0.262 6.038 1.715) 6.282 4.192 ( -1.731 -4.776 -2.561) 5.689 4.282 ( -0.853 -0.009 -2.015) 2.188 4.341 ( -0.637 2.074 4.005) 4.555 4.371 ( -3.012 4.565 0.829) 5.531 4.742 ( 0.442 5.407 -4.544) 7.076 5.284 ( -1.937 -0.361 -0.899) 2.165 5.358 ( -1.363 -0.150 1.172) 1.804 5.659 ( 2.232 -10.193 1.340) 10.521 5.717 ( 0.171 -17.933 0.299) 17.936 6.018 ( -1.014 -19.009 1.417) 19.089 6.509 ( -1.028 0.348 -2.168) 2.425 6.682 ( -6.015 -9.844 -8.788) 14.502 6.840 ( 1.474 -5.043 2.632) 5.876 7.195 ( 4.092 -4.415 8.566) 10.470 8.505 ( -0.034 -11.565 0.064) 11.565 8.912 ( -1.214 -4.802 -1.557) 5.192 9.235 ( -0.195 0.085 -0.177) 0.277 9.400 ( 0.327 -2.539 0.181) 2.566 9.450 ( -1.390 0.898 -5.017) 5.282 9.862 ( -12.716 5.116 -10.449) 17.235 10.174 ( -3.655 1.560 -0.837) 4.061 10.713 ( -5.709 1.259 3.392) 6.760 11.511 ( 6.980 10.420 -2.441) 12.778 12.086 ( 3.339 -17.591 -3.445) 18.234 12.375 ( -1.852 -0.574 -2.342) 3.040 12.416 ( 8.402 7.074 7.379) 13.232 12.659 ( 14.072 15.287 6.522) 21.778 14.313 ( -0.240 0.232 0.052) 0.337 14.956 ( -8.167 13.890 -7.571) 17.803 15.838 ( -1.434 -13.425 0.302) 13.505 16.015 ( -1.488 -15.796 -2.919) 16.132 17.050 ( 0.606 2.338 -0.136) 2.419 18.385 ( -1.769 -10.999 -0.530) 11.152 18.474 ( 0.338 -9.605 0.273) 9.615 18.974 ( 3.492 1.874 2.146) 4.506 19.413 ( -5.649 4.578 1.480) 7.420 19.839 ( -0.151 0.777 -0.824) 1.143 20.368 ( -1.293 9.065 -6.420) 11.183 21.644 ( 0.903 1.100 0.304) 1.456 22.117 ( -8.157 5.809 1.966) 10.205 ======================= Grid point 188 (90/115) ======================= q-point: ( 0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -1.226 -8.141 -4.572) 9.417 0.987 ( 3.698 -0.338 0.384) 3.733 1.008 ( -0.399 -9.304 -3.275) 9.872 1.114 ( -0.351 -8.975 -4.563) 10.074 1.123 ( 4.507 -7.449 2.052) 8.945 1.339 ( 0.153 -10.771 -2.665) 11.097 1.445 ( -0.995 -5.616 -0.511) 5.727 1.498 ( 1.138 1.024 3.629) 3.939 1.616 ( -2.458 -2.737 2.881) 4.673 1.707 ( 1.334 -0.131 -1.062) 1.710 1.838 ( 0.294 5.356 -0.679) 5.407 1.861 ( 0.580 -1.249 0.856) 1.622 1.894 ( 0.511 -1.127 -0.587) 1.369 1.954 ( -0.652 -1.147 -2.780) 3.077 1.971 ( 0.545 2.885 0.967) 3.091 2.089 ( 3.594 0.296 -0.080) 3.607 2.173 ( 0.973 -8.644 -2.577) 9.072 2.248 ( -1.777 2.156 2.632) 3.839 2.285 ( -2.233 -1.589 2.250) 3.546 2.388 ( -0.699 1.200 0.291) 1.419 2.527 ( -1.223 1.391 -1.631) 2.468 2.599 ( -3.183 -0.461 -0.725) 3.297 2.719 ( 0.114 -2.687 3.501) 4.415 2.729 ( 0.007 -6.965 2.156) 7.291 2.807 ( -4.446 -1.904 -0.804) 4.902 2.937 ( 0.261 -6.642 0.130) 6.649 2.997 ( 2.174 1.086 -0.446) 2.471 3.138 ( 4.229 -5.561 0.740) 7.026 3.162 ( 2.336 -1.513 3.531) 4.496 3.174 ( 0.585 -1.367 0.155) 1.495 3.294 ( -0.135 -1.295 0.444) 1.376 3.376 ( 5.293 2.334 -3.855) 6.952 3.420 ( 2.620 2.837 0.417) 3.884 3.637 ( 5.019 -0.083 -1.251) 5.173 3.715 ( -0.322 1.592 -6.026) 6.241 3.842 ( -0.186 -1.131 2.762) 2.991 3.938 ( 0.894 3.913 1.964) 4.468 4.045 ( -0.048 -1.162 -1.003) 1.535 4.152 ( -2.352 5.062 2.419) 6.084 4.255 ( -3.484 1.344 -1.040) 3.876 4.333 ( 0.174 -3.144 0.085) 3.150 4.382 ( -1.860 -5.135 -2.025) 5.825 4.642 ( 0.894 4.660 -2.765) 5.492 5.277 ( 1.048 0.424 0.408) 1.202 5.353 ( -2.221 -0.892 0.750) 2.508 5.783 ( -0.517 -6.243 -1.568) 6.457 6.275 ( 0.434 -25.773 2.536) 25.901 6.422 ( -0.678 -17.411 0.885) 17.447 6.538 ( 2.169 -8.796 2.255) 9.336 6.846 ( -3.142 -10.268 -3.480) 11.288 6.964 ( -3.958 -8.506 -6.518) 11.424 7.402 ( 7.379 -9.972 13.364) 18.234 8.806 ( -0.787 -17.855 -0.885) 17.895 9.009 ( -2.851 -5.587 -4.741) 7.863 9.225 ( 0.458 -0.238 1.471) 1.559 9.409 ( -0.575 1.005 -2.633) 2.877 9.501 ( -1.907 -7.569 -3.822) 8.691 9.667 ( -8.179 5.280 -8.320) 12.806 10.126 ( -1.335 1.845 1.645) 2.809 10.673 ( -0.989 1.229 4.695) 4.953 11.367 ( 7.324 8.681 1.859) 11.509 12.173 ( 1.085 8.549 -4.358) 9.657 12.244 ( 9.960 19.480 7.539) 23.141 12.369 ( 3.311 11.910 -0.382) 12.368 12.633 ( -1.855 -19.764 -0.984) 19.875 14.280 ( -1.405 2.801 -0.084) 3.135 14.696 ( -3.315 7.091 -2.749) 8.297 16.160 ( -1.576 -18.600 1.228) 18.707 16.312 ( -1.064 -14.858 -2.913) 15.178 16.993 ( 0.403 3.492 -0.171) 3.519 18.598 ( -0.707 -9.851 -1.022) 9.929 18.724 ( -0.202 -14.033 0.368) 14.039 18.969 ( 2.099 -0.258 2.370) 3.176 19.271 ( -4.306 5.647 0.699) 7.136 19.803 ( -0.949 2.630 -0.435) 2.830 20.142 ( 0.583 11.838 -3.665) 12.406 21.622 ( 0.651 1.511 0.269) 1.668 21.955 ( -4.400 5.962 1.165) 7.501 ======================= Grid point 189 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.018 -1.481 -1.865) 2.382 1.102 ( -0.072 -5.279 -2.389) 5.795 1.143 ( -3.263 -8.209 -5.645) 10.483 1.268 ( 4.447 -5.191 -0.262) 6.840 1.326 ( 1.026 -8.043 0.485) 8.122 1.423 ( -2.249 2.893 -1.302) 3.889 1.471 ( 3.168 -2.593 1.534) 4.372 1.505 ( -1.781 -0.167 3.297) 3.751 1.671 ( -1.128 0.664 -3.966) 4.177 1.695 ( 2.963 1.907 3.213) 4.768 1.793 ( 2.432 0.915 -0.897) 2.749 1.857 ( -1.676 3.643 1.152) 4.172 1.866 ( 1.592 0.019 0.568) 1.690 1.933 ( -0.908 -1.951 1.032) 2.387 2.017 ( -0.344 -2.534 -2.418) 3.520 2.112 ( 3.379 0.415 1.716) 3.812 2.194 ( -0.974 0.965 0.285) 1.400 2.225 ( 3.047 2.030 -1.381) 3.913 2.298 ( -4.184 0.949 -2.144) 4.796 2.428 ( -1.358 -4.625 0.419) 4.838 2.538 ( 1.010 -2.722 -1.770) 3.400 2.610 ( -1.400 -1.995 1.087) 2.669 2.703 ( -2.941 1.412 -1.938) 3.794 2.799 ( -0.795 -2.122 0.259) 2.281 2.871 ( 0.125 -1.618 4.611) 4.888 2.983 ( -0.954 -0.187 -3.825) 3.946 3.044 ( 1.937 -1.867 1.413) 3.039 3.143 ( -0.172 0.298 1.714) 1.749 3.187 ( 0.399 -1.311 0.565) 1.483 3.269 ( 8.445 0.379 3.018) 8.976 3.359 ( 0.211 -2.600 1.193) 2.869 3.372 ( 0.469 0.953 -1.072) 1.509 3.442 ( 3.040 -4.581 0.755) 5.550 3.580 ( -5.237 2.252 -5.668) 8.039 3.745 ( 3.968 -0.567 0.551) 4.046 3.831 ( -2.088 0.635 -0.582) 2.259 3.926 ( 2.395 0.109 1.267) 2.712 4.030 ( -0.769 1.220 -1.208) 1.881 4.092 ( -2.848 -0.242 0.914) 3.001 4.213 ( 0.006 1.358 2.759) 3.075 4.370 ( -0.148 -1.282 -1.999) 2.379 4.488 ( 0.015 -3.822 -1.121) 3.983 4.590 ( -0.621 -0.896 -1.753) 2.065 5.286 ( 1.353 -0.256 0.411) 1.437 5.344 ( -1.817 0.593 -0.260) 1.928 5.887 ( -0.269 -4.331 -0.159) 4.342 6.460 ( -1.082 -1.439 -1.216) 2.172 6.680 ( 1.158 -10.590 2.124) 10.863 6.947 ( -0.117 -9.497 0.618) 9.518 7.095 ( 1.394 -23.531 -1.505) 23.620 7.135 ( -4.628 -12.582 -2.928) 13.722 7.663 ( 6.743 -7.754 11.033) 15.077 9.050 ( -4.144 -2.707 -7.314) 8.831 9.120 ( -0.634 -12.010 -0.703) 12.047 9.287 ( 0.555 -3.578 1.668) 3.987 9.430 ( -0.057 -5.048 1.599) 5.296 9.510 ( -4.532 3.596 -5.379) 7.899 9.664 ( -2.803 -9.751 -5.798) 11.685 10.088 ( 0.980 2.100 2.934) 3.739 10.655 ( 1.514 1.708 4.771) 5.289 11.271 ( 5.596 6.369 3.477) 9.163 11.718 ( 5.885 29.994 0.637) 30.573 12.074 ( -3.131 4.503 -3.013) 6.258 12.204 ( 1.004 7.289 1.306) 7.473 12.983 ( -0.520 -14.805 -0.880) 14.841 14.200 ( -1.583 3.214 -0.219) 3.589 14.602 ( -0.761 1.774 -0.761) 2.075 16.505 ( -0.770 -15.689 0.695) 15.723 16.564 ( -0.569 -10.994 -1.456) 11.105 16.926 ( 0.179 3.196 -0.225) 3.209 18.691 ( 1.027 0.562 0.017) 1.170 18.942 ( -0.124 -4.594 -1.343) 4.787 19.087 ( 0.420 -10.439 0.869) 10.483 19.206 ( -2.345 -4.795 2.090) 5.732 19.713 ( -0.934 5.920 0.019) 5.994 19.911 ( 1.123 11.461 -2.634) 11.814 21.598 ( 0.383 1.223 0.183) 1.294 21.835 ( -2.146 3.809 0.951) 4.474 ======================= Grid point 190 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.907 0.397 -3.734) 3.863 1.173 ( -0.140 -3.659 -1.060) 3.812 1.243 ( 0.161 2.929 1.623) 3.353 1.324 ( -2.056 -4.924 -3.908) 6.614 1.403 ( 1.157 0.401 -1.408) 1.866 1.429 ( 0.535 -3.424 0.769) 3.550 1.484 ( -1.795 -0.388 0.890) 2.041 1.575 ( 3.360 -2.551 3.230) 5.313 1.624 ( 1.549 1.803 0.630) 2.459 1.669 ( 1.046 1.400 0.146) 1.754 1.730 ( -0.764 3.543 -2.427) 4.362 1.798 ( -0.252 2.875 -1.857) 3.432 1.871 ( -1.759 -1.393 -3.386) 4.062 1.968 ( 0.027 -0.654 0.089) 0.661 2.081 ( 0.930 -1.095 2.325) 2.733 2.110 ( 1.371 0.948 1.400) 2.177 2.161 ( 1.517 0.259 1.416) 2.091 2.211 ( 1.031 1.816 -4.395) 4.866 2.279 ( -0.659 -1.773 -1.185) 2.232 2.450 ( -2.522 0.657 -0.745) 2.710 2.579 ( -0.157 1.141 -0.604) 1.301 2.613 ( 0.523 1.065 -0.482) 1.281 2.684 ( -2.261 -2.897 0.599) 3.723 2.829 ( -1.577 -1.475 -0.668) 2.261 2.899 ( 0.413 -1.032 3.254) 3.438 2.974 ( -0.797 0.189 -1.225) 1.473 3.059 ( 2.643 0.129 1.580) 3.082 3.166 ( -0.022 1.873 -0.848) 2.056 3.208 ( -0.246 -2.179 4.676) 5.165 3.282 ( 4.053 2.016 -1.935) 4.923 3.338 ( 1.604 1.389 -0.287) 2.141 3.391 ( -4.210 -0.531 1.343) 4.451 3.527 ( -0.225 1.014 -0.927) 1.392 3.542 ( 1.259 -1.813 -2.903) 3.647 3.745 ( -0.024 1.353 3.960) 4.185 3.814 ( -0.680 -0.260 -1.091) 1.312 3.928 ( -0.807 -0.175 -2.795) 2.915 4.008 ( 0.184 1.445 -0.303) 1.487 4.098 ( -1.233 -1.378 3.717) 4.151 4.230 ( 2.022 -1.986 0.812) 2.948 4.371 ( 0.836 0.451 -1.170) 1.507 4.540 ( 1.842 -1.334 0.647) 2.365 4.621 ( -2.670 -1.683 -2.368) 3.945 5.294 ( 0.343 0.963 -0.311) 1.069 5.325 ( -0.419 -0.941 -0.370) 1.094 5.943 ( -0.194 -1.352 0.289) 1.396 6.473 ( -0.328 -0.738 -0.514) 0.957 6.823 ( 1.276 -2.925 1.789) 3.658 7.040 ( -1.800 -3.346 -3.013) 4.849 7.294 ( -0.546 -5.295 2.442) 5.857 7.529 ( -0.332 -14.676 -2.635) 14.914 7.769 ( 3.554 3.231 4.919) 6.875 9.076 ( -2.600 -3.424 -4.529) 6.245 9.252 ( 0.951 -2.105 2.712) 3.562 9.332 ( 0.572 -0.054 1.974) 2.055 9.421 ( -2.876 -1.460 -2.420) 4.032 9.611 ( 0.915 -7.424 2.850) 8.004 9.811 ( -2.644 -6.069 -6.519) 9.291 10.069 ( 1.167 1.239 2.542) 3.059 10.647 ( 2.430 0.565 2.807) 3.755 11.172 ( 1.939 7.872 0.471) 8.121 11.224 ( -0.489 17.727 0.228) 17.735 12.004 ( -1.286 0.192 -1.400) 1.911 12.106 ( 0.523 2.907 0.762) 3.050 13.186 ( -0.034 -5.683 -0.446) 5.701 14.161 ( -0.390 -0.233 -0.064) 0.459 14.581 ( -0.122 0.318 -0.026) 0.342 16.714 ( 0.114 -4.389 0.210) 4.395 16.740 ( -0.348 -7.261 -0.421) 7.282 16.876 ( -0.014 1.804 -0.366) 1.841 18.652 ( 0.300 2.470 0.063) 2.489 18.939 ( -0.023 1.043 -0.610) 1.208 19.317 ( -0.148 -12.058 0.483) 12.068 19.409 ( 0.023 -11.603 0.847) 11.634 19.553 ( -0.191 9.769 0.485) 9.782 19.698 ( 0.443 9.763 -2.788) 10.163 21.581 ( 0.114 0.629 0.073) 0.643 21.784 ( -0.749 0.393 1.287) 1.540 ======================= Grid point 191 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.205 2.691 -3.106) 4.114 1.118 ( 0.739 7.202 0.235) 7.244 1.265 ( -0.704 -4.559 -0.091) 4.614 1.307 ( 0.215 7.595 2.995) 8.167 1.398 ( 1.491 1.411 1.642) 2.629 1.436 ( -2.505 -2.095 -2.567) 4.154 1.513 ( 1.081 4.290 -3.571) 5.685 1.590 ( -1.661 -3.267 -0.555) 3.706 1.631 ( 1.379 0.438 2.309) 2.725 1.690 ( 0.351 -0.992 -3.820) 3.962 1.701 ( 2.057 -1.329 0.367) 2.476 1.742 ( -0.189 1.069 -2.674) 2.886 1.890 ( -2.339 -1.717 -0.775) 3.003 1.965 ( 0.055 0.397 -0.257) 0.476 2.068 ( 0.589 2.834 2.417) 3.771 2.113 ( -1.272 -0.471 0.526) 1.454 2.173 ( 1.535 -1.734 -4.207) 4.802 2.220 ( 1.103 -3.158 -1.046) 3.505 2.296 ( 0.196 1.302 -2.005) 2.399 2.416 ( -0.200 0.801 1.379) 1.607 2.511 ( -0.163 3.118 -0.872) 3.241 2.636 ( 1.149 -1.300 1.790) 2.493 2.716 ( -1.103 -0.718 2.211) 2.573 2.834 ( -1.831 -0.622 -1.073) 2.211 2.936 ( 0.994 -0.781 1.328) 1.833 2.938 ( -0.110 1.629 0.645) 1.755 3.076 ( -0.482 1.866 2.003) 2.779 3.112 ( 1.436 1.510 -1.331) 2.473 3.217 ( -4.040 1.083 1.728) 4.526 3.255 ( 4.030 3.250 -1.177) 5.310 3.334 ( 2.582 0.689 0.639) 2.748 3.353 ( -3.801 1.509 -1.011) 4.213 3.473 ( -0.007 4.479 1.115) 4.616 3.519 ( 0.091 2.737 -3.145) 4.170 3.737 ( 0.111 -0.617 2.291) 2.375 3.833 ( -0.114 -1.395 -0.588) 1.518 3.945 ( 0.785 -0.800 0.158) 1.132 3.971 ( -2.372 -0.327 -1.736) 2.957 4.120 ( 0.972 0.395 4.479) 4.600 4.292 ( 1.268 -2.212 -1.552) 2.985 4.386 ( 1.000 -1.874 0.591) 2.205 4.552 ( 1.321 1.649 0.545) 2.182 4.592 ( -2.089 2.408 -1.831) 3.677 5.270 ( -0.099 0.778 -0.641) 1.013 5.369 ( 0.112 -2.911 -0.413) 2.942 5.939 ( -0.174 1.534 0.182) 1.554 6.486 ( 0.027 -0.782 -0.085) 0.787 6.814 ( 0.537 4.783 0.810) 4.881 7.062 ( -0.936 -0.190 -1.795) 2.034 7.324 ( 1.214 3.684 5.682) 6.880 7.570 ( 0.680 17.651 -0.812) 17.683 7.629 ( -2.380 2.598 -6.280) 7.201 9.122 ( -0.488 -2.245 -0.723) 2.408 9.255 ( 1.232 3.052 3.490) 4.798 9.307 ( 0.073 1.371 0.914) 1.649 9.523 ( 0.252 -7.845 2.661) 8.288 9.655 ( 2.018 8.294 5.260) 10.027 9.848 ( -1.302 -2.225 -3.010) 3.963 10.025 ( -1.403 2.130 -3.278) 4.154 10.671 ( 1.071 -0.583 -0.413) 1.287 11.036 ( -1.085 -0.695 2.643) 2.940 11.094 ( -0.113 -0.212 -3.184) 3.193 12.044 ( 0.139 -4.088 1.289) 4.289 12.103 ( 0.024 -2.303 -0.565) 2.372 13.201 ( 0.078 4.131 -0.470) 4.159 14.200 ( 0.043 -3.437 0.112) 3.439 14.586 ( 0.080 -1.023 0.383) 1.096 16.719 ( 0.067 4.271 1.719) 4.604 16.771 ( -0.083 4.179 -2.230) 4.737 16.865 ( 0.105 -1.198 0.015) 1.203 18.626 ( -0.204 -0.162 -0.368) 0.451 18.951 ( 0.359 -2.034 0.223) 2.077 19.322 ( 0.294 13.229 0.876) 13.261 19.462 ( -1.794 6.649 -2.340) 7.274 19.563 ( 0.896 -11.896 -0.210) 11.932 19.663 ( 0.786 -7.322 -0.460) 7.379 21.577 ( 0.004 -0.131 0.008) 0.131 21.813 ( -0.281 -3.327 1.797) 3.792 ======================= Grid point 192 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 2.750 6.979 3.060) 8.101 0.991 ( 2.129 5.631 -5.779) 8.345 1.162 ( 0.729 7.189 4.387) 8.453 1.262 ( 0.839 7.313 1.673) 7.548 1.353 ( -0.476 6.423 -2.015) 6.748 1.386 ( -1.887 0.588 -3.447) 3.973 1.458 ( -0.935 -1.793 -1.742) 2.669 1.625 ( -2.081 0.321 -0.768) 2.242 1.670 ( 1.416 -2.997 -0.199) 3.321 1.693 ( 1.511 2.428 -0.953) 3.014 1.710 ( -0.236 -0.003 0.151) 0.280 1.766 ( 1.105 -3.746 -2.200) 4.482 1.904 ( -1.677 -0.535 1.729) 2.468 1.975 ( 1.565 -0.972 -0.141) 1.847 1.989 ( 0.730 4.336 -0.269) 4.405 2.074 ( -2.312 1.499 -0.334) 2.776 2.219 ( -1.623 3.776 -0.228) 4.117 2.284 ( -0.397 -2.442 -1.757) 3.035 2.324 ( 4.342 -6.101 -0.192) 7.491 2.432 ( -0.404 -0.952 0.154) 1.046 2.491 ( -0.803 -3.140 -0.122) 3.243 2.575 ( 1.726 6.199 0.070) 6.436 2.776 ( 0.300 -3.420 2.973) 4.542 2.822 ( -1.550 0.906 -0.968) 2.039 2.895 ( -0.328 1.628 0.610) 1.769 2.973 ( 0.411 -0.919 0.706) 1.229 3.017 ( 0.215 2.783 0.433) 2.825 3.074 ( 1.036 3.819 0.071) 3.958 3.129 ( -0.940 5.875 -2.556) 6.476 3.195 ( -0.388 4.648 1.690) 4.961 3.275 ( -1.410 0.898 1.620) 2.328 3.341 ( 1.228 3.073 -0.801) 3.405 3.381 ( 3.139 4.160 -1.211) 5.351 3.481 ( 0.693 0.781 -1.197) 1.588 3.771 ( 0.697 -1.099 0.915) 1.591 3.851 ( -0.561 -0.532 -1.291) 1.505 3.911 ( -0.182 0.706 1.070) 1.295 4.050 ( -1.374 -6.005 -0.193) 6.163 4.097 ( 0.710 2.851 2.328) 3.749 4.321 ( -1.546 -1.535 -0.405) 2.216 4.454 ( 1.358 -1.438 0.658) 2.085 4.500 ( -1.687 1.513 -2.100) 3.090 4.514 ( 1.905 4.381 0.586) 4.813 5.263 ( -0.055 -0.058 -0.432) 0.440 5.418 ( -0.580 -1.729 -0.507) 1.893 5.886 ( 0.060 3.678 0.216) 3.685 6.500 ( -0.116 -0.492 -0.011) 0.506 6.649 ( -0.266 11.636 0.051) 11.639 6.990 ( -0.490 21.376 -2.076) 21.483 7.041 ( 0.398 12.133 -0.027) 12.139 7.293 ( 2.770 9.395 8.987) 13.293 7.433 ( -4.075 11.634 -10.751) 16.357 9.133 ( 0.709 10.491 1.201) 10.583 9.160 ( 0.474 -1.785 1.242) 2.226 9.289 ( -0.498 5.645 -0.359) 5.678 9.404 ( 0.426 9.261 2.165) 9.521 9.705 ( 0.052 -6.321 2.706) 6.876 9.758 ( 0.923 7.013 3.177) 7.754 10.097 ( -1.565 -8.088 -3.234) 8.850 10.695 ( -3.109 -3.916 -2.519) 5.599 11.061 ( -2.710 -4.336 2.477) 5.681 11.299 ( 8.920 -13.537 -1.695) 16.300 12.141 ( 0.039 -4.613 3.496) 5.788 12.190 ( -0.100 -6.566 -2.432) 7.003 13.024 ( -0.299 13.298 -1.076) 13.345 14.274 ( -0.627 -3.498 0.085) 3.555 14.641 ( -0.097 -4.984 0.607) 5.022 16.540 ( -0.818 13.925 1.864) 14.073 16.612 ( 0.120 10.215 -3.048) 10.661 16.909 ( 0.269 -2.855 0.198) 2.874 18.649 ( 0.138 -1.609 -0.514) 1.695 18.971 ( -0.164 3.070 -0.816) 3.181 19.051 ( 0.613 13.363 1.328) 13.443 19.338 ( -2.763 1.300 -1.524) 3.413 19.778 ( -1.375 -5.742 0.007) 5.905 19.833 ( 3.070 -12.087 -1.089) 12.518 21.587 ( 0.057 -0.838 -0.013) 0.840 21.913 ( -0.994 -6.760 2.312) 7.213 ======================= Grid point 196 (95/115) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.464 0.000 -0.233) 0.520 0.711 ( 0.016 0.000 0.408) 0.408 0.846 ( -1.753 -0.000 -3.836) 4.217 0.868 ( -3.152 -0.000 -10.229) 10.703 0.991 ( 1.382 0.000 -3.714) 3.963 1.085 ( 8.512 0.000 0.913) 8.561 1.145 ( 5.933 0.000 5.768) 8.275 1.501 ( -7.692 -0.000 -2.856) 8.206 1.574 ( -1.854 -0.000 -3.356) 3.835 1.635 ( 0.415 0.000 2.584) 2.617 1.746 ( 1.743 0.000 0.781) 1.910 1.785 ( 0.136 0.000 -1.959) 1.964 1.915 ( 1.964 0.000 0.154) 1.970 1.993 ( -0.885 -0.000 -1.151) 1.452 2.018 ( 0.798 0.000 -2.577) 2.698 2.113 ( 3.486 0.000 3.060) 4.638 2.177 ( -4.302 -0.000 -0.528) 4.334 2.297 ( -1.145 -0.000 0.085) 1.148 2.330 ( -0.919 -0.000 1.463) 1.727 2.363 ( -0.586 -0.000 0.143) 0.603 2.408 ( -4.709 -0.000 6.230) 7.810 2.449 ( -1.550 -0.000 -2.047) 2.567 2.495 ( -5.054 -0.000 1.810) 5.369 2.634 ( 2.165 0.000 0.820) 2.315 2.866 ( -3.624 -0.000 -0.892) 3.733 2.907 ( 3.797 0.000 8.276) 9.105 2.922 ( -3.230 -0.000 0.201) 3.236 2.964 ( 4.493 0.000 -4.892) 6.642 3.077 ( 5.191 0.000 3.846) 6.460 3.147 ( 3.375 0.000 -0.071) 3.376 3.308 ( -2.958 -0.000 -0.395) 2.985 3.393 ( 2.338 0.000 -7.481) 7.838 3.600 ( 8.374 0.000 -0.257) 8.378 3.663 ( 7.087 0.000 -1.851) 7.324 3.697 ( 1.631 0.000 1.618) 2.297 3.857 ( -1.124 -0.000 1.936) 2.239 3.993 ( -0.587 -0.000 -1.457) 1.570 4.111 ( -1.968 -0.000 -3.038) 3.620 4.134 ( -1.383 -0.000 0.842) 1.619 4.241 ( 1.084 0.000 -0.243) 1.111 4.382 ( 1.478 0.000 3.293) 3.610 4.444 ( -2.387 -0.000 3.178) 3.974 4.801 ( -3.732 -0.000 -5.440) 6.597 5.191 ( -1.539 -0.000 -3.817) 4.116 5.343 ( 3.061 0.000 0.911) 3.194 5.553 ( 1.006 0.000 2.176) 2.397 5.703 ( 6.188 0.000 10.108) 11.852 5.706 ( -5.720 -0.000 -6.311) 8.517 6.491 ( -7.581 -0.000 -12.007) 14.200 6.521 ( -0.529 -0.000 -1.421) 1.516 6.814 ( 2.173 0.000 5.032) 5.481 7.182 ( 3.008 0.000 6.539) 7.198 8.390 ( 0.458 0.000 0.610) 0.763 8.853 ( -1.144 -0.000 -1.357) 1.775 9.232 ( 0.169 0.000 0.446) 0.477 9.390 ( 0.963 0.000 1.146) 1.497 9.432 ( -3.011 -0.000 -7.354) 7.946 9.803 ( -13.608 -0.000 -12.939) 18.778 10.170 ( -2.274 -0.000 0.813) 2.415 10.694 ( -3.628 -0.000 2.032) 4.158 11.763 ( 8.661 0.000 -6.338) 10.732 11.779 ( -0.034 -0.000 -0.134) 0.139 12.364 ( -3.007 -0.000 -3.953) 4.967 12.521 ( 2.805 0.000 3.062) 4.152 12.981 ( 18.275 0.000 14.213) 23.151 14.314 ( 0.098 0.000 0.026) 0.102 15.054 ( -9.609 -0.000 -12.376) 15.668 15.685 ( -0.890 -0.000 -1.279) 1.558 15.815 ( 0.760 0.000 1.184) 1.407 17.077 ( 0.278 0.000 -0.357) 0.453 18.258 ( -0.114 -0.000 -0.074) 0.136 18.377 ( 0.142 0.000 0.051) 0.150 19.022 ( 3.039 0.000 2.816) 4.143 19.424 ( -5.582 -0.000 1.236) 5.717 19.847 ( 0.291 0.000 -1.227) 1.261 20.434 ( -2.903 -0.000 -6.546) 7.161 21.664 ( 1.100 0.000 0.454) 1.190 22.120 ( -8.407 -0.000 1.737) 8.584 ======================= Grid point 197 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.253 -13.591 -3.170) 13.958 0.816 ( -1.323 -8.576 -1.516) 8.809 0.871 ( -6.981 -6.748 -9.216) 13.386 1.005 ( 1.620 -12.721 -1.522) 12.913 1.050 ( 3.454 -2.306 3.940) 5.724 1.128 ( 6.910 -2.304 -1.630) 7.464 1.305 ( 3.127 -8.358 2.384) 9.237 1.454 ( -3.924 -2.121 -1.200) 4.619 1.595 ( -1.043 -0.742 4.723) 4.893 1.721 ( -1.335 -6.444 -6.933) 9.559 1.734 ( -0.124 0.069 0.034) 0.146 1.831 ( 1.627 -4.246 0.654) 4.593 1.923 ( -1.394 1.582 -0.676) 2.215 1.976 ( 2.685 1.362 -2.120) 3.682 2.000 ( -3.435 -1.939 -5.202) 6.529 2.061 ( -2.262 4.755 1.511) 5.478 2.156 ( 8.396 0.680 4.203) 9.413 2.272 ( 0.929 1.133 0.503) 1.549 2.313 ( -2.876 2.927 5.352) 6.744 2.407 ( -0.697 -0.704 0.830) 1.292 2.463 ( -4.822 -4.842 -0.388) 6.845 2.502 ( -1.580 -8.462 2.408) 8.939 2.589 ( -0.591 -9.088 -1.600) 9.247 2.645 ( 1.120 -0.917 0.562) 1.553 2.780 ( -5.241 3.256 -1.355) 6.317 2.865 ( 0.036 0.464 3.969) 3.996 3.002 ( 1.662 -2.516 -2.171) 3.716 3.062 ( 4.019 -5.019 0.758) 6.474 3.116 ( 1.197 -1.621 6.300) 6.614 3.174 ( 2.734 -0.336 0.648) 2.830 3.275 ( -1.910 0.605 -1.210) 2.340 3.405 ( 2.288 -0.608 -7.053) 7.439 3.586 ( 3.540 6.959 0.265) 7.813 3.670 ( 7.103 -0.119 -0.582) 7.128 3.734 ( 0.196 0.512 -3.571) 3.613 3.840 ( -0.947 0.576 2.288) 2.542 4.005 ( 0.498 -0.276 0.764) 0.953 4.062 ( 1.777 3.778 2.186) 4.713 4.156 ( -2.043 -4.951 -2.542) 5.928 4.256 ( -1.731 -1.009 -2.462) 3.174 4.306 ( -2.754 9.404 0.665) 9.822 4.381 ( 0.786 1.721 3.177) 3.698 4.718 ( -1.375 3.181 -4.915) 6.014 5.270 ( -0.060 -3.204 -0.164) 3.208 5.352 ( -0.432 2.067 1.626) 2.665 5.654 ( -1.421 -4.952 -2.899) 5.911 5.750 ( 2.664 -21.594 2.718) 21.927 6.043 ( 2.969 -19.228 7.095) 20.709 6.474 ( -3.092 -2.930 -5.605) 7.040 6.577 ( -4.889 -8.324 -6.831) 11.827 6.860 ( 0.648 -2.332 1.414) 2.803 7.286 ( 4.873 -7.141 9.007) 12.485 8.506 ( 0.138 -10.939 0.209) 10.942 8.888 ( -1.473 -4.146 -2.065) 4.860 9.230 ( -0.396 0.394 -0.751) 0.936 9.400 ( -0.571 -1.317 -0.918) 1.704 9.407 ( -2.142 -0.240 -4.670) 5.143 9.670 ( -9.780 2.465 -10.669) 14.682 10.151 ( -0.305 1.126 2.241) 2.527 10.681 ( -0.934 -0.028 1.966) 2.177 11.586 ( 4.661 8.876 -0.856) 10.062 12.116 ( 2.560 -16.210 -2.107) 16.546 12.315 ( -4.812 -1.023 -4.971) 6.993 12.487 ( 2.179 5.125 2.265) 6.012 12.898 ( 13.479 20.623 10.509) 26.785 14.310 ( -0.159 0.724 0.057) 0.744 14.843 ( -4.964 10.446 -6.282) 13.161 15.820 ( -0.968 -13.370 -0.292) 13.409 15.998 ( -0.312 -14.550 -1.435) 14.624 17.054 ( 0.087 2.255 -0.305) 2.278 18.367 ( -0.692 -10.092 -0.494) 10.128 18.479 ( 0.270 -9.617 0.169) 9.623 19.022 ( 2.213 2.092 3.326) 4.510 19.346 ( -4.566 4.166 0.423) 6.195 19.835 ( -0.005 1.198 -1.063) 1.602 20.330 ( -1.623 7.319 -4.328) 8.656 21.657 ( 0.860 1.300 0.453) 1.623 22.028 ( -5.294 4.130 1.344) 6.848 ======================= Grid point 198 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -5.878 -9.052 -10.019) 14.727 0.970 ( -1.027 -6.615 0.662) 6.727 1.040 ( 0.082 -0.650 2.316) 2.407 1.125 ( 2.716 -12.881 -2.027) 13.319 1.200 ( 4.703 -5.840 1.860) 7.725 1.347 ( 0.841 -9.269 -1.025) 9.364 1.381 ( -3.638 -3.567 -4.593) 6.859 1.569 ( 3.080 1.515 6.279) 7.156 1.602 ( 0.631 -5.675 2.065) 6.072 1.729 ( 2.578 -1.354 -1.614) 3.329 1.821 ( -2.723 0.026 -3.046) 4.085 1.870 ( -0.115 -1.620 0.583) 1.725 1.891 ( 0.278 0.227 0.537) 0.646 1.925 ( -1.338 2.569 -1.523) 3.272 1.999 ( 2.381 1.443 -1.639) 3.231 2.102 ( -1.088 -6.198 -2.474) 6.762 2.179 ( -1.335 1.443 4.621) 5.022 2.240 ( 0.050 -1.264 0.215) 1.283 2.288 ( 2.703 1.603 -0.872) 3.261 2.402 ( 2.221 0.174 2.594) 3.419 2.505 ( -1.445 0.596 -2.020) 2.554 2.558 ( -2.036 -1.144 0.076) 2.336 2.690 ( -4.136 -0.055 -0.748) 4.203 2.751 ( 0.524 -6.439 1.477) 6.627 2.776 ( 0.672 -6.339 3.748) 7.395 2.932 ( -0.837 -5.627 -1.158) 5.805 3.029 ( 2.303 1.224 0.796) 2.727 3.113 ( -2.807 -2.294 -2.971) 4.687 3.179 ( -0.566 -1.658 4.478) 4.809 3.264 ( 4.830 -3.293 2.320) 6.289 3.292 ( 0.697 -5.835 0.748) 5.924 3.414 ( 1.139 0.331 -3.186) 3.400 3.461 ( 4.017 6.787 0.159) 7.889 3.620 ( -3.543 5.865 -5.105) 8.545 3.748 ( 3.833 -1.586 -2.022) 4.615 3.826 ( -2.128 0.450 0.604) 2.257 3.982 ( 3.594 2.162 3.609) 5.533 4.043 ( -0.026 1.424 -0.428) 1.487 4.118 ( -2.926 5.324 -0.570) 6.102 4.230 ( -0.117 -1.776 2.276) 2.889 4.335 ( -1.017 -7.448 -1.480) 7.661 4.344 ( -1.474 0.248 -1.414) 2.058 4.639 ( -0.014 3.964 -2.565) 4.722 5.301 ( 2.159 0.565 0.504) 2.287 5.327 ( -1.894 -0.861 0.637) 2.176 5.770 ( -0.758 -6.733 -1.328) 6.905 6.290 ( 0.986 -22.951 0.841) 22.987 6.421 ( 0.154 -13.837 1.405) 13.909 6.585 ( 3.101 -14.251 4.072) 15.142 6.781 ( -4.182 -15.965 -5.129) 17.282 6.907 ( -2.163 -3.454 -2.644) 4.858 7.533 ( 6.166 -10.917 9.441) 15.695 8.795 ( -0.474 -17.177 -0.552) 17.192 8.952 ( -2.989 -3.497 -4.796) 6.646 9.233 ( 0.154 -1.869 0.815) 2.045 9.391 ( -1.307 -0.312 -1.940) 2.360 9.451 ( -2.961 -4.834 -4.853) 7.462 9.565 ( -3.875 1.803 -3.436) 5.484 10.130 ( 0.962 1.457 1.552) 2.336 10.686 ( 0.965 0.026 2.530) 2.708 11.458 ( 4.645 7.688 1.933) 9.188 12.128 ( -3.072 5.816 -4.469) 7.952 12.347 ( 1.554 11.665 5.051) 12.806 12.442 ( 3.971 27.176 3.081) 27.637 12.618 ( 1.350 -19.967 -2.901) 20.221 14.265 ( -0.652 3.560 -0.102) 3.621 14.654 ( -1.742 5.040 -1.900) 5.661 16.149 ( -0.195 -18.743 0.326) 18.747 16.295 ( -0.531 -14.946 -1.810) 15.065 16.995 ( -0.049 3.451 -0.143) 3.454 18.590 ( 0.167 -10.848 -1.275) 10.924 18.726 ( 0.379 -13.773 -0.187) 13.779 19.000 ( 1.078 0.631 3.286) 3.515 19.222 ( -2.953 4.914 0.388) 5.746 19.793 ( -0.222 2.946 -0.529) 3.002 20.136 ( -0.178 10.636 -2.506) 10.928 21.631 ( 0.439 1.693 0.303) 1.775 21.910 ( -2.406 4.902 1.165) 5.583 ======================= Grid point 199 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -1.187 -3.099 -1.930) 3.839 1.072 ( -2.382 -7.702 -2.257) 8.372 1.115 ( 0.115 -6.055 -1.500) 6.239 1.317 ( 2.800 -2.411 1.788) 4.105 1.341 ( 1.249 -6.042 -2.210) 6.554 1.366 ( -3.828 -2.043 -3.243) 5.417 1.510 ( 0.293 3.964 3.573) 5.345 1.522 ( 2.893 -5.492 2.143) 6.567 1.646 ( -0.431 -0.072 -5.282) 5.300 1.753 ( 3.211 3.513 3.427) 5.865 1.802 ( -0.917 2.630 -0.197) 2.792 1.833 ( -2.028 4.422 -0.030) 4.865 1.880 ( 1.727 -0.183 -2.291) 2.875 1.938 ( 0.559 -2.677 1.039) 2.925 2.011 ( 0.591 -3.869 -1.290) 4.121 2.152 ( 0.607 0.291 4.787) 4.834 2.186 ( -1.350 -0.371 -0.445) 1.469 2.230 ( -3.063 1.189 -1.817) 3.754 2.277 ( 5.072 1.522 -4.162) 6.735 2.413 ( -1.008 -1.572 0.216) 1.880 2.542 ( -0.009 -4.441 -0.911) 4.533 2.589 ( -1.443 -1.451 2.533) 3.256 2.650 ( -2.172 0.107 -2.178) 3.078 2.818 ( 1.002 -0.477 1.363) 1.757 2.881 ( -0.124 -1.743 3.494) 3.907 2.963 ( -0.354 0.117 -3.213) 3.234 3.066 ( 0.569 -2.523 0.758) 2.695 3.143 ( 0.010 -1.951 0.552) 2.027 3.185 ( -0.307 -0.482 1.950) 2.032 3.328 ( -4.594 -0.694 3.584) 5.868 3.392 ( 2.423 3.793 0.199) 4.506 3.400 ( 6.069 1.555 -0.154) 6.267 3.452 ( -1.818 -4.528 -2.037) 5.287 3.508 ( -0.544 -2.487 -4.570) 5.231 3.777 ( -1.591 0.124 2.326) 2.821 3.812 ( 1.444 0.420 -0.773) 1.691 3.949 ( 0.049 3.512 -1.164) 3.700 4.027 ( 0.796 0.022 0.223) 0.827 4.054 ( -2.054 -1.051 -0.057) 2.308 4.232 ( 0.811 1.062 3.298) 3.558 4.365 ( -0.151 -1.757 -1.490) 2.309 4.486 ( 0.214 -7.032 -0.898) 7.093 4.572 ( -0.754 1.482 -1.611) 2.316 5.306 ( 0.759 -0.152 0.223) 0.805 5.324 ( -0.329 0.769 -0.343) 0.904 5.882 ( -0.388 -4.700 -0.090) 4.717 6.446 ( -0.315 -1.910 -0.938) 2.151 6.703 ( 1.135 -10.488 1.945) 10.727 6.942 ( -0.577 -4.387 -1.532) 4.683 7.082 ( -2.414 -18.393 1.214) 18.591 7.112 ( 1.708 -22.658 -1.440) 22.768 7.767 ( 4.263 -6.444 5.714) 9.609 8.978 ( -3.168 -2.949 -4.662) 6.362 9.112 ( -0.327 -13.166 -0.107) 13.170 9.300 ( 0.580 -3.360 0.951) 3.540 9.397 ( -3.310 -0.033 -1.177) 3.513 9.493 ( 1.545 -3.763 2.493) 4.771 9.607 ( -2.907 -8.240 -5.584) 10.370 10.114 ( 1.809 1.324 1.090) 2.493 10.689 ( 1.722 1.152 2.201) 3.022 11.332 ( 1.755 7.909 2.039) 8.354 11.756 ( -0.811 31.188 0.949) 31.213 12.033 ( -1.544 4.683 -1.220) 5.080 12.218 ( 0.540 7.403 0.407) 7.433 12.979 ( 0.450 -14.822 -1.117) 14.871 14.188 ( -0.103 3.085 -0.118) 3.089 14.593 ( -0.381 1.154 -0.313) 1.255 16.505 ( 0.632 -15.690 -0.080) 15.703 16.554 ( -0.340 -11.261 -0.767) 11.292 16.926 ( -0.183 3.209 -0.065) 3.215 18.701 ( 0.549 0.413 -0.526) 0.866 18.938 ( 0.056 -4.107 -1.151) 4.265 19.094 ( 0.050 -9.349 1.068) 9.410 19.193 ( -0.232 -6.677 1.649) 6.881 19.707 ( 0.140 5.820 -0.071) 5.822 19.911 ( -0.189 11.341 -1.980) 11.514 21.602 ( 0.105 1.345 0.118) 1.354 21.818 ( -0.766 3.259 1.286) 3.586 ======================= Grid point 200 (99/115) ======================= q-point: (-0.22 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.341 0.368 -3.582) 4.295 1.161 ( -1.434 -3.754 0.001) 4.018 1.259 ( 1.314 2.546 2.460) 3.777 1.288 ( -1.582 -5.148 -2.727) 6.036 1.386 ( -2.190 -0.473 -1.008) 2.457 1.442 ( 0.445 -5.533 -0.242) 5.556 1.485 ( 1.454 1.738 2.302) 3.230 1.619 ( 1.869 0.909 -0.452) 2.127 1.639 ( 0.522 0.342 -0.832) 1.040 1.678 ( -0.357 -0.337 -3.729) 3.761 1.712 ( -0.757 4.050 2.861) 5.016 1.785 ( -0.353 2.752 -2.589) 3.795 1.860 ( 1.897 -0.071 -2.140) 2.860 1.965 ( -0.527 -0.400 0.220) 0.697 2.085 ( -1.861 -0.225 1.586) 2.456 2.111 ( -0.743 1.927 0.358) 2.096 2.180 ( 0.100 -0.400 -0.013) 0.412 2.207 ( 0.269 0.467 -1.206) 1.321 2.303 ( 4.199 -0.900 -4.501) 6.221 2.427 ( -0.273 -0.385 0.785) 0.916 2.569 ( -0.786 2.415 1.538) 2.969 2.597 ( -1.347 -1.193 -1.039) 2.078 2.681 ( -0.076 -3.239 1.828) 3.720 2.814 ( -0.349 -0.310 0.407) 0.620 2.919 ( 1.205 -1.156 2.289) 2.833 2.964 ( -0.062 -0.351 -1.238) 1.288 3.075 ( -0.959 0.430 -0.009) 1.051 3.164 ( 0.636 1.359 -0.631) 1.628 3.207 ( -1.867 -0.311 4.787) 5.148 3.283 ( -6.564 -0.827 -1.500) 6.783 3.338 ( 3.455 1.729 -1.471) 4.134 3.403 ( 4.147 1.515 0.865) 4.499 3.507 ( -0.610 -1.132 0.251) 1.310 3.558 ( -0.523 0.436 -2.983) 3.060 3.765 ( 1.620 1.171 3.266) 3.829 3.804 ( -0.353 -0.101 -0.231) 0.434 3.902 ( -1.013 -0.096 -2.017) 2.259 4.000 ( -1.471 1.541 0.642) 2.225 4.107 ( 0.858 -2.464 2.138) 3.373 4.251 ( 0.522 -1.888 -0.605) 2.050 4.373 ( -0.116 -0.068 -1.093) 1.101 4.559 ( -1.613 -0.371 -1.048) 1.959 4.591 ( 1.534 -2.505 0.216) 2.945 5.296 ( 0.068 1.538 -0.470) 1.610 5.323 ( 0.380 -1.299 -0.237) 1.374 5.941 ( -0.150 -1.399 0.324) 1.443 6.470 ( 0.135 -0.907 -0.272) 0.956 6.843 ( 0.578 -2.679 0.938) 2.897 7.009 ( -0.961 -3.541 -1.570) 3.991 7.300 ( -0.199 -6.478 2.951) 7.121 7.520 ( 0.255 -12.990 -2.192) 13.176 7.813 ( 1.376 5.219 0.769) 5.452 9.036 ( -1.477 -4.807 -1.356) 5.209 9.272 ( 0.571 -2.820 1.331) 3.170 9.347 ( 0.309 1.568 1.968) 2.535 9.386 ( -0.844 -5.227 -0.315) 5.304 9.642 ( 1.417 -7.419 3.633) 8.381 9.750 ( -2.710 -6.321 -5.105) 8.565 10.094 ( 1.607 2.593 0.555) 3.100 10.676 ( 0.772 0.845 0.118) 1.150 11.170 ( -2.640 8.546 0.666) 8.969 11.223 ( 0.501 18.268 0.325) 18.278 11.991 ( -0.149 -0.755 -0.212) 0.798 12.112 ( 0.180 3.148 0.133) 3.156 13.186 ( 0.278 -5.639 -0.473) 5.666 14.160 ( 0.307 -0.312 -0.003) 0.438 14.580 ( -0.106 0.139 0.111) 0.207 16.714 ( -0.348 -4.718 0.278) 4.739 16.742 ( 0.906 -6.921 -0.632) 7.009 16.873 ( -0.201 1.765 -0.136) 1.782 18.654 ( -0.037 2.743 -0.078) 2.744 18.937 ( -0.044 0.686 -0.446) 0.820 19.319 ( 0.270 -12.105 0.315) 12.112 19.413 ( 0.365 -11.015 0.452) 11.030 19.556 ( 0.541 9.706 0.223) 9.724 19.690 ( -0.479 9.537 -2.172) 9.793 21.582 ( -0.036 0.675 0.009) 0.676 21.782 ( -0.211 0.182 1.505) 1.531 ======================= Grid point 201 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 5.026 2.393 -2.419) 6.069 1.128 ( 0.731 6.878 -0.920) 6.978 1.254 ( -0.971 -5.151 0.801) 5.303 1.317 ( 0.139 6.189 1.560) 6.385 1.403 ( -1.400 -0.966 -0.089) 1.703 1.424 ( 1.131 1.361 1.368) 2.237 1.506 ( -0.241 7.213 -4.191) 8.346 1.569 ( -1.141 -4.175 0.903) 4.422 1.624 ( -2.531 0.448 -0.220) 2.579 1.694 ( 1.062 -3.069 -2.557) 4.133 1.727 ( 1.836 -0.861 -0.613) 2.118 1.736 ( 0.925 0.997 -2.762) 3.079 1.898 ( 2.553 -0.547 2.466) 3.591 1.965 ( 0.186 -0.553 -0.142) 0.601 2.058 ( -5.263 0.782 1.085) 5.431 2.081 ( -0.067 1.917 0.037) 1.918 2.174 ( 0.236 -2.287 -3.346) 4.060 2.211 ( -0.707 -0.708 -1.951) 2.192 2.338 ( 4.553 -0.281 -1.921) 4.949 2.428 ( 1.257 0.764 0.812) 1.680 2.505 ( -0.222 2.748 -0.108) 2.759 2.641 ( -0.691 -2.218 -0.196) 2.332 2.718 ( 0.070 -0.947 2.941) 3.091 2.828 ( 0.638 -0.074 1.821) 1.931 2.939 ( 0.063 1.592 -0.262) 1.615 2.954 ( 1.198 -0.575 0.093) 1.332 3.069 ( -1.136 0.190 1.543) 1.926 3.131 ( 1.485 1.816 -2.012) 3.090 3.144 ( -5.868 2.152 2.213) 6.631 3.287 ( 0.434 2.577 -1.787) 3.166 3.330 ( 1.083 0.484 0.450) 1.269 3.375 ( 1.317 2.889 1.423) 3.479 3.476 ( 1.273 3.837 -1.222) 4.223 3.519 ( 0.982 1.332 -0.472) 1.721 3.757 ( 0.885 0.418 0.448) 1.077 3.827 ( 0.298 -1.581 0.487) 1.681 3.932 ( -1.453 -2.057 -0.965) 2.697 3.960 ( 0.001 0.476 1.689) 1.755 4.140 ( 0.390 0.266 2.699) 2.740 4.276 ( -2.340 -1.254 -3.412) 4.323 4.396 ( 0.309 -2.644 -1.247) 2.939 4.533 ( -2.205 1.715 -0.559) 2.849 4.608 ( 2.924 2.284 0.898) 3.818 5.272 ( 0.469 0.945 -0.321) 1.103 5.364 ( -0.646 -2.679 -0.413) 2.787 5.939 ( 0.001 1.501 0.391) 1.551 6.486 ( -0.011 -0.721 -0.106) 0.729 6.819 ( -0.060 5.070 -0.291) 5.079 7.049 ( -0.403 -0.321 0.283) 0.588 7.350 ( 0.277 2.190 2.289) 3.180 7.570 ( -0.147 18.363 -1.412) 18.418 7.598 ( -0.002 4.509 -1.173) 4.659 9.113 ( -0.360 -3.097 0.334) 3.135 9.276 ( 0.555 2.739 0.457) 2.832 9.314 ( 0.416 1.901 0.494) 2.008 9.522 ( -1.202 -8.161 1.452) 8.376 9.684 ( -0.713 10.641 0.708) 10.689 9.815 ( -0.742 -7.190 -0.294) 7.235 10.020 ( 0.958 4.612 -0.208) 4.715 10.654 ( -2.789 1.077 -1.688) 3.434 11.050 ( 1.802 1.664 2.824) 3.741 11.113 ( 3.586 -5.533 -1.542) 6.771 12.049 ( 0.163 -4.750 0.731) 4.809 12.098 ( -0.490 -1.672 -0.490) 1.810 13.199 ( -0.150 4.352 -0.433) 4.376 14.196 ( -0.632 -3.065 0.014) 3.130 14.587 ( -0.068 -1.101 0.144) 1.112 16.722 ( -0.339 4.019 1.376) 4.262 16.763 ( -0.186 4.913 -1.736) 5.214 16.868 ( 0.319 -1.385 -0.103) 1.425 18.627 ( 0.338 -0.220 0.032) 0.404 18.953 ( -0.053 -2.195 -0.386) 2.229 19.329 ( 0.359 13.050 0.136) 13.056 19.429 ( -2.249 7.453 0.505) 7.802 19.570 ( 0.197 -11.585 -0.641) 11.604 19.674 ( 1.298 -7.598 -1.631) 7.879 21.577 ( 0.030 -0.158 -0.003) 0.161 21.811 ( -0.738 -3.147 1.611) 3.612 ======================= Grid point 206 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -0.677 -0.000 -0.819) 1.062 0.701 ( -9.874 -0.000 -15.751) 18.590 0.728 ( 1.778 0.000 1.681) 2.446 0.807 ( -2.065 -0.000 -3.161) 3.776 1.080 ( 6.237 0.000 3.713) 7.259 1.174 ( 3.094 0.000 1.408) 3.399 1.234 ( 4.513 0.000 3.942) 5.992 1.411 ( -4.400 -0.000 0.232) 4.407 1.539 ( -1.786 -0.000 -2.416) 3.005 1.643 ( 0.075 0.000 -0.595) 0.600 1.764 ( 0.715 0.000 0.054) 0.717 1.779 ( 0.343 0.000 -2.901) 2.921 1.925 ( 0.402 0.000 -0.040) 0.404 1.946 ( -3.254 -0.000 -2.616) 4.175 2.024 ( 2.198 0.000 -3.627) 4.241 2.106 ( -4.924 -0.000 -0.818) 4.992 2.231 ( 8.355 0.000 3.027) 8.886 2.289 ( -0.286 -0.000 0.477) 0.556 2.341 ( -5.072 -0.000 7.599) 9.137 2.361 ( 0.206 0.000 0.021) 0.207 2.365 ( 2.925 0.000 0.487) 2.965 2.417 ( -1.776 -0.000 -2.201) 2.828 2.433 ( -4.378 -0.000 0.589) 4.418 2.667 ( 1.910 0.000 0.792) 2.067 2.827 ( -2.083 -0.000 1.075) 2.344 2.883 ( -2.290 -0.000 0.042) 2.291 2.956 ( -0.446 -0.000 5.447) 5.466 3.018 ( 5.103 0.000 -2.424) 5.649 3.132 ( 0.656 0.000 6.315) 6.349 3.196 ( 3.380 0.000 0.183) 3.385 3.265 ( -3.034 -0.000 -0.378) 3.057 3.397 ( 2.408 0.000 -11.327) 11.580 3.669 ( 2.011 0.000 0.137) 2.015 3.720 ( 1.065 0.000 1.366) 1.732 3.733 ( 3.344 0.000 -2.831) 4.381 3.841 ( -1.114 -0.000 1.579) 1.932 4.002 ( 1.473 0.000 0.476) 1.548 4.075 ( -1.868 -0.000 -2.516) 3.134 4.122 ( -0.735 -0.000 0.808) 1.092 4.251 ( 0.442 0.000 -0.183) 0.478 4.403 ( 0.638 0.000 2.939) 3.008 4.441 ( -0.072 -0.000 2.381) 2.382 4.731 ( -3.663 -0.000 -4.379) 5.709 5.168 ( -0.675 -0.000 -1.664) 1.796 5.396 ( 3.270 0.000 2.157) 3.917 5.543 ( -1.289 -0.000 -1.757) 2.179 5.623 ( -3.670 -0.000 -5.381) 6.514 5.859 ( 9.651 0.000 15.647) 18.384 6.338 ( -8.887 -0.000 -14.069) 16.641 6.511 ( -0.429 -0.000 -1.080) 1.162 6.853 ( 1.687 0.000 3.005) 3.446 7.243 ( 2.904 0.000 5.476) 6.198 8.399 ( 0.446 0.000 0.578) 0.730 8.834 ( -0.880 -0.000 -1.182) 1.474 9.235 ( 0.171 0.000 0.362) 0.400 9.364 ( -3.444 -0.000 -5.941) 6.867 9.405 ( 0.599 0.000 0.974) 1.143 9.606 ( -9.444 -0.000 -10.368) 14.024 10.171 ( 1.124 0.000 2.296) 2.557 10.677 ( 0.079 0.000 0.100) 0.128 11.778 ( -0.063 -0.000 -0.107) 0.124 11.844 ( 5.072 0.000 -2.681) 5.737 12.293 ( -4.721 -0.000 -5.374) 7.153 12.554 ( 1.427 0.000 1.037) 1.764 13.218 ( 10.079 0.000 10.871) 14.825 14.315 ( 0.045 0.000 0.022) 0.050 14.934 ( -3.812 -0.000 -8.113) 8.964 15.671 ( -0.545 -0.000 -0.916) 1.065 15.827 ( 0.482 0.000 0.832) 0.961 17.076 ( -0.202 -0.000 -0.320) 0.378 18.256 ( -0.058 -0.000 -0.064) 0.087 18.379 ( 0.066 0.000 0.043) 0.079 19.063 ( 1.410 0.000 3.757) 4.013 19.360 ( -3.929 -0.000 0.739) 3.998 19.846 ( 0.340 0.000 -1.532) 1.570 20.383 ( -2.134 -0.000 -3.583) 4.170 21.678 ( 0.702 0.000 0.494) 0.859 22.040 ( -3.933 -0.000 1.547) 4.226 ======================= Grid point 207 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -6.689 -6.249 -8.165) 12.267 0.767 ( -1.821 -17.673 -0.511) 17.774 0.835 ( -0.234 -6.088 0.656) 6.127 1.002 ( 0.075 -16.383 -0.084) 16.383 1.121 ( 2.900 1.342 1.786) 3.661 1.186 ( 2.178 -3.242 -1.941) 4.362 1.311 ( -1.212 -1.996 -1.814) 2.956 1.461 ( 2.718 -8.172 5.736) 10.347 1.591 ( -1.728 -3.271 1.057) 3.847 1.673 ( -1.769 -4.388 -5.095) 6.953 1.738 ( 1.060 0.840 -1.535) 2.046 1.855 ( 1.363 -4.243 1.329) 4.651 1.914 ( 0.842 1.094 -0.869) 1.631 1.930 ( -3.413 -1.152 -4.848) 6.040 1.989 ( -0.656 1.853 -0.854) 2.143 2.054 ( 1.317 1.853 0.231) 2.285 2.245 ( -3.664 1.454 2.498) 4.666 2.270 ( 0.810 4.312 5.564) 7.085 2.328 ( 5.111 0.181 -1.004) 5.211 2.400 ( 0.661 -1.275 0.649) 1.575 2.423 ( -0.327 -4.547 -1.045) 4.677 2.507 ( 0.899 -9.906 1.607) 10.075 2.571 ( -0.877 -12.420 -1.445) 12.534 2.676 ( 2.956 2.088 1.593) 3.954 2.711 ( -4.150 4.718 -1.419) 6.441 2.876 ( -0.104 -0.252 3.838) 3.848 2.999 ( -1.370 -3.230 -1.064) 3.667 3.092 ( -0.030 -0.906 -0.092) 0.911 3.147 ( 0.400 -2.110 7.044) 7.365 3.206 ( 0.548 -0.764 0.728) 1.189 3.257 ( 0.823 -0.829 -1.198) 1.673 3.403 ( 1.190 -0.675 -9.139) 9.241 3.618 ( 1.361 5.518 0.894) 5.753 3.700 ( -1.383 2.879 -1.109) 3.381 3.735 ( -1.212 -0.005 -2.060) 2.390 3.841 ( 2.117 0.952 -0.058) 2.322 4.018 ( -0.391 -0.228 2.040) 2.090 4.090 ( 1.395 2.031 1.112) 2.703 4.129 ( -0.917 -5.815 -1.123) 5.993 4.228 ( -1.306 0.174 -1.370) 1.901 4.287 ( -0.358 11.009 0.568) 11.029 4.394 ( 0.059 2.741 2.073) 3.437 4.685 ( -1.415 1.277 -3.061) 3.606 5.271 ( -0.150 -4.523 0.237) 4.531 5.358 ( 0.941 3.456 0.728) 3.655 5.627 ( -1.245 -6.391 -1.659) 6.719 5.785 ( 1.710 -21.872 -0.041) 21.939 6.134 ( 5.820 -15.172 10.490) 19.342 6.380 ( -6.205 -11.804 -10.185) 16.780 6.527 ( -1.178 -2.758 -1.562) 3.381 6.870 ( 0.418 -0.475 0.670) 0.922 7.368 ( 3.463 -9.140 4.841) 10.907 8.509 ( 0.150 -10.490 0.174) 10.492 8.864 ( -0.956 -3.219 -1.428) 3.649 9.220 ( -0.617 0.805 -0.964) 1.399 9.364 ( -1.810 -2.450 -1.915) 3.598 9.385 ( -1.480 1.458 -1.547) 2.590 9.549 ( -4.584 -0.413 -3.634) 5.864 10.171 ( 2.126 1.287 1.042) 2.695 10.687 ( 1.182 -0.582 -0.223) 1.337 11.628 ( 1.485 7.467 -0.462) 7.627 12.150 ( 2.747 -15.630 0.827) 15.891 12.223 ( -5.817 -0.504 -4.938) 7.647 12.511 ( 0.904 4.884 0.397) 4.983 13.048 ( 4.442 22.514 5.433) 23.582 14.309 ( 0.030 0.947 0.032) 0.948 14.784 ( -1.714 8.988 -3.548) 9.814 15.814 ( 0.353 -13.696 -0.687) 13.718 15.993 ( -0.142 -13.734 -0.702) 13.752 17.052 ( -0.335 2.171 -0.077) 2.198 18.363 ( 0.432 -9.922 -0.756) 9.960 18.482 ( 0.206 -9.802 -0.043) 9.804 19.051 ( 0.337 2.195 3.578) 4.211 19.298 ( -2.376 3.885 1.181) 4.705 19.833 ( 0.357 1.331 -1.246) 1.857 20.300 ( -1.273 6.378 -2.072) 6.826 21.667 ( 0.192 1.423 0.326) 1.473 21.987 ( -1.287 3.528 1.820) 4.173 ======================= Grid point 208 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -3.561 -10.820 -2.138) 11.590 0.964 ( -0.343 -6.471 1.299) 6.609 1.015 ( -4.422 -2.712 2.879) 5.933 1.156 ( 2.648 -11.800 -3.567) 12.608 1.249 ( 0.358 -5.683 -1.890) 6.000 1.317 ( -0.220 -2.145 0.150) 2.161 1.374 ( 1.397 -10.061 -2.775) 10.530 1.578 ( -0.911 1.314 4.121) 4.420 1.658 ( 2.615 -1.058 -0.422) 2.852 1.754 ( -3.286 -5.040 -3.297) 6.861 1.772 ( 4.081 -5.107 -0.585) 6.563 1.877 ( 0.338 0.750 0.499) 0.962 1.886 ( -1.328 2.377 0.482) 2.766 1.912 ( -0.377 0.016 -1.095) 1.159 2.016 ( 1.216 2.913 -2.449) 3.995 2.083 ( -0.330 -7.615 -1.074) 7.697 2.148 ( -5.214 1.534 5.536) 7.758 2.248 ( 1.308 1.500 -0.035) 1.991 2.329 ( 3.434 1.031 -3.336) 4.897 2.452 ( 2.472 -1.567 0.712) 3.012 2.473 ( -1.579 3.705 -1.976) 4.486 2.550 ( 0.821 -2.425 1.216) 2.834 2.661 ( 1.070 2.026 1.317) 2.643 2.758 ( -0.013 -7.543 0.993) 7.608 2.805 ( 1.120 -7.572 2.310) 7.996 2.912 ( -1.230 -3.559 -0.292) 3.777 3.059 ( -0.452 2.006 -0.212) 2.067 3.066 ( -0.960 -4.592 0.039) 4.692 3.181 ( -1.196 -1.381 5.159) 5.473 3.264 ( -1.984 -3.328 -1.066) 4.018 3.317 ( -1.385 -4.087 -0.537) 4.349 3.418 ( 1.766 -1.708 -1.851) 3.076 3.511 ( 1.452 5.296 -3.260) 6.387 3.563 ( -0.584 7.843 -1.800) 8.068 3.728 ( -6.024 -1.714 0.227) 6.267 3.836 ( 3.025 0.615 -0.342) 3.106 4.014 ( -1.350 -0.166 1.266) 1.859 4.056 ( 0.642 2.011 0.300) 2.132 4.084 ( 0.974 8.142 -0.742) 8.234 4.260 ( 2.374 -3.424 4.649) 6.242 4.290 ( -2.584 -5.529 -3.030) 6.814 4.344 ( 0.224 -1.288 -0.182) 1.320 4.629 ( -0.431 3.437 -1.718) 3.866 5.301 ( -1.780 -0.275 0.410) 1.848 5.339 ( 2.799 0.243 -0.296) 2.825 5.757 ( -0.613 -7.072 -0.235) 7.102 6.309 ( 1.937 -19.920 -1.064) 20.043 6.431 ( 0.532 -13.737 0.475) 13.756 6.635 ( 1.606 -14.101 2.237) 14.367 6.719 ( -1.912 -20.931 -1.894) 21.104 6.887 ( -0.190 -1.514 -0.299) 1.555 7.612 ( 2.366 -11.316 1.935) 11.722 8.790 ( -0.168 -16.801 -0.031) 16.802 8.911 ( -1.232 -2.110 -1.428) 2.830 9.234 ( -0.143 -2.860 0.444) 2.898 9.360 ( -1.712 -0.957 -0.533) 2.033 9.417 ( -0.917 -3.929 -0.487) 4.064 9.530 ( -1.004 0.237 0.249) 1.061 10.157 ( 2.574 1.635 -0.662) 3.121 10.710 ( 1.787 -0.388 -0.086) 1.830 11.491 ( -0.535 7.171 -0.510) 7.209 12.085 ( -1.585 6.258 -0.825) 6.508 12.360 ( -1.444 10.423 4.054) 11.276 12.433 ( -5.628 20.719 2.592) 21.626 12.653 ( 4.333 -11.044 -5.211) 12.958 14.264 ( 0.556 3.652 -0.027) 3.694 14.637 ( -0.120 4.297 -0.380) 4.316 16.161 ( 1.995 -18.845 -0.651) 18.961 16.284 ( -0.475 -14.934 -0.929) 14.970 16.992 ( -0.415 3.395 0.159) 3.424 18.595 ( 1.120 -10.910 -1.711) 11.100 18.733 ( 0.943 -13.660 -0.983) 13.728 19.013 ( -0.743 0.777 2.433) 2.660 19.202 ( -0.151 4.312 2.134) 4.813 19.794 ( 0.683 2.945 -0.663) 3.095 20.121 ( -1.113 10.201 -1.216) 10.333 21.634 ( -0.203 1.736 0.091) 1.750 21.901 ( 0.419 4.771 2.004) 5.191 ======================= Grid point 209 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.548 -5.161 0.394) 5.205 1.038 ( -2.493 -8.116 1.833) 8.686 1.118 ( 0.702 -6.386 -0.761) 6.469 1.289 ( -5.067 -2.785 -3.139) 6.579 1.361 ( 2.100 -2.317 0.532) 3.172 1.369 ( 3.476 -3.309 -0.832) 4.870 1.514 ( -0.639 -0.435 -1.330) 1.538 1.566 ( 2.590 -2.966 3.199) 5.074 1.626 ( -0.388 0.520 -5.084) 5.125 1.757 ( -1.956 3.611 -2.064) 4.596 1.795 ( -1.620 2.124 -1.238) 2.944 1.820 ( 0.898 4.224 3.761) 5.726 1.912 ( 3.349 1.848 -2.553) 4.599 1.939 ( -0.392 -1.845 0.527) 1.958 2.016 ( 0.473 -5.503 -2.099) 5.909 2.119 ( -5.272 -1.995 0.044) 5.637 2.170 ( -0.122 1.534 1.845) 2.403 2.228 ( 1.351 1.100 0.179) 1.751 2.325 ( 3.082 1.007 -5.079) 6.026 2.407 ( 0.402 -0.846 1.726) 1.964 2.519 ( -2.536 -4.139 -0.660) 4.899 2.615 ( 2.822 0.282 3.421) 4.444 2.644 ( 1.465 -0.496 1.207) 1.962 2.810 ( -1.547 -0.125 -0.484) 1.625 2.901 ( 1.177 -2.175 3.296) 4.121 2.952 ( -0.131 -0.360 -2.313) 2.345 3.063 ( -0.791 -1.847 -0.664) 2.116 3.151 ( 0.848 -2.890 0.855) 3.130 3.199 ( 0.915 -0.288 3.076) 3.222 3.236 ( -9.233 1.275 1.555) 9.450 3.354 ( -3.712 -0.681 -2.455) 4.502 3.455 ( 1.177 -1.006 -3.429) 3.763 3.472 ( 0.378 -1.479 2.062) 2.565 3.513 ( 4.364 -0.712 -3.106) 5.404 3.732 ( -4.859 -2.851 1.649) 5.870 3.843 ( 1.879 1.076 -0.852) 2.327 3.943 ( 0.362 4.421 0.304) 4.446 4.009 ( -2.623 0.564 -0.589) 2.747 4.075 ( 3.644 -1.223 1.817) 4.252 4.245 ( -0.087 1.402 1.009) 1.729 4.353 ( -0.807 -2.069 -0.685) 2.324 4.484 ( -0.223 -6.555 -0.997) 6.634 4.571 ( 0.887 0.838 -0.107) 1.225 5.295 ( -1.074 -0.227 -0.483) 1.199 5.344 ( 2.200 1.080 -0.216) 2.460 5.878 ( -0.239 -4.932 0.512) 4.964 6.448 ( 0.813 -1.814 -0.146) 1.993 6.714 ( -0.053 -10.312 -0.382) 10.319 6.932 ( -0.130 -3.736 0.114) 3.740 7.065 ( -1.116 -18.737 1.755) 18.852 7.138 ( 2.713 -22.439 -1.443) 22.649 7.801 ( -0.200 -6.034 -2.222) 6.434 8.948 ( -0.176 -2.894 1.478) 3.254 9.110 ( -0.049 -13.537 0.395) 13.542 9.300 ( -0.730 -3.249 -0.194) 3.335 9.382 ( 0.909 0.029 4.149) 4.248 9.513 ( -0.968 -6.373 -1.277) 6.572 9.572 ( 0.541 -6.404 0.967) 6.499 10.141 ( 2.267 1.480 -1.806) 3.255 10.711 ( 1.163 1.443 -0.956) 2.085 11.325 ( -3.016 8.155 -0.895) 8.741 11.702 ( -7.505 29.334 1.536) 30.317 12.030 ( 1.055 4.874 1.415) 5.184 12.221 ( -0.078 7.270 -0.461) 7.285 12.988 ( 1.306 -14.334 -1.359) 14.458 14.197 ( 1.429 3.192 0.068) 3.498 14.590 ( 0.054 1.133 0.344) 1.185 16.522 ( 1.906 -14.854 -0.384) 14.981 16.550 ( 0.007 -11.821 -0.636) 11.838 16.921 ( -0.444 3.167 0.213) 3.205 18.702 ( -0.056 0.711 -1.042) 1.262 18.937 ( 0.238 -3.588 -0.777) 3.679 19.090 ( -0.968 -9.437 0.556) 9.503 19.216 ( 2.895 -7.036 1.259) 7.712 19.715 ( 1.116 5.840 -0.245) 5.951 19.894 ( -1.569 11.214 -1.096) 11.377 21.601 ( -0.304 1.296 -0.057) 1.333 21.824 ( 0.839 3.495 1.997) 4.112 ======================= Grid point 210 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.915 -1.902 -2.883) 5.221 1.133 ( -2.932 -3.528 0.700) 4.641 1.265 ( -0.655 0.155 -1.136) 1.321 1.293 ( 1.836 -1.444 3.087) 3.871 1.350 ( -2.381 -4.339 1.008) 5.051 1.456 ( 1.929 -3.462 -0.690) 4.022 1.507 ( 0.416 2.646 -0.197) 2.686 1.618 ( -1.145 0.834 -3.032) 3.347 1.627 ( -0.664 0.040 -3.542) 3.604 1.654 ( -0.454 2.517 -0.879) 2.704 1.727 ( 1.030 1.638 1.800) 2.643 1.773 ( -0.563 2.448 -2.429) 3.494 1.903 ( 4.408 -1.052 -0.008) 4.531 1.959 ( -0.340 -0.171 0.987) 1.058 2.050 ( -3.291 1.154 1.820) 3.934 2.101 ( -0.586 2.038 -0.698) 2.233 2.175 ( 0.280 -2.413 -3.269) 4.073 2.201 ( -0.590 1.629 -2.221) 2.817 2.324 ( 0.789 -1.088 -3.612) 3.853 2.457 ( 3.209 -0.358 2.432) 4.042 2.559 ( -1.597 -0.040 0.136) 1.603 2.586 ( -1.073 0.645 1.394) 1.874 2.692 ( 1.610 -2.222 2.985) 4.054 2.825 ( 1.253 -1.316 2.176) 2.835 2.937 ( 0.445 -0.138 -0.534) 0.709 2.967 ( 0.901 -1.626 0.689) 1.983 3.041 ( -3.160 1.381 -1.558) 3.784 3.150 ( -5.582 1.440 3.218) 6.602 3.180 ( 0.378 0.633 -0.774) 1.069 3.245 ( 0.430 -2.951 1.083) 3.172 3.358 ( 0.179 -0.012 -1.443) 1.454 3.441 ( 0.753 1.699 -1.032) 2.126 3.511 ( -2.971 -0.757 -2.523) 3.971 3.534 ( 3.275 -0.030 0.467) 3.309 3.784 ( -0.369 -3.262 0.432) 3.311 3.802 ( -0.323 2.891 -0.372) 2.933 3.904 ( 1.531 0.269 1.357) 2.064 3.981 ( -1.401 1.090 1.454) 2.295 4.125 ( 0.261 -1.644 2.979) 3.413 4.241 ( -0.540 -0.480 -3.661) 3.732 4.363 ( -0.651 -0.500 -1.319) 1.553 4.528 ( -1.347 -0.882 -0.686) 1.751 4.628 ( 2.250 -2.175 1.026) 3.293 5.293 ( -0.239 0.118 -0.572) 0.631 5.333 ( 1.102 0.588 -0.199) 1.265 5.941 ( -0.063 -1.465 0.604) 1.586 6.474 ( 0.511 -0.655 0.034) 0.831 6.836 ( -1.195 -2.714 -1.875) 3.508 7.017 ( 1.582 -3.312 2.711) 4.564 7.301 ( -0.717 -6.745 1.552) 6.959 7.524 ( 0.997 -12.332 -1.174) 12.428 7.808 ( -1.318 4.992 -3.855) 6.443 9.035 ( 0.780 -4.648 3.376) 5.797 9.270 ( -0.872 -3.006 -0.922) 3.263 9.342 ( -0.888 -1.131 -0.397) 1.492 9.406 ( 2.154 -2.159 3.582) 4.704 9.643 ( -1.415 -7.554 -2.523) 8.089 9.742 ( 1.700 -5.610 5.037) 7.729 10.113 ( 1.366 2.637 -2.485) 3.872 10.667 ( -1.250 2.319 -2.682) 3.759 11.126 ( -3.837 9.475 1.273) 10.301 11.223 ( -0.992 11.720 -0.180) 11.764 11.998 ( 0.903 -0.170 1.179) 1.495 12.112 ( -0.154 3.246 -0.505) 3.288 13.190 ( 0.492 -5.256 -0.491) 5.301 14.168 ( 0.852 0.488 0.080) 0.985 14.579 ( -0.052 0.136 0.278) 0.314 16.710 ( -0.392 -4.855 0.551) 4.902 16.756 ( 1.468 -6.062 -1.048) 6.325 16.870 ( -0.273 1.586 0.097) 1.612 18.651 ( -0.321 2.413 -0.273) 2.450 18.935 ( -0.025 0.695 -0.167) 0.716 19.323 ( -0.017 -12.479 0.125) 12.480 19.426 ( 1.603 -8.999 -0.207) 9.143 19.566 ( 0.757 9.623 -0.301) 9.658 19.673 ( -1.153 8.918 -1.173) 9.068 21.581 ( -0.157 0.552 -0.056) 0.577 21.787 ( 0.257 0.736 1.771) 1.935 ======================= Grid point 216 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -2.495 -0.000 0.642) 2.577 0.550 ( -6.735 -0.000 -3.362) 7.527 0.763 ( 2.255 0.000 1.806) 2.889 0.777 ( -0.914 -0.000 -2.860) 3.002 1.143 ( 0.692 0.000 -0.703) 0.986 1.174 ( -2.138 -0.000 -0.600) 2.221 1.280 ( 1.072 0.000 -0.577) 1.218 1.381 ( -1.428 -0.000 4.626) 4.842 1.517 ( -0.609 -0.000 -0.103) 0.618 1.636 ( 0.259 0.000 -2.448) 2.462 1.765 ( -0.371 -0.000 -0.338) 0.502 1.784 ( 1.457 0.000 -1.656) 2.205 1.918 ( -0.105 -0.000 -0.045) 0.114 1.941 ( 2.167 0.000 -0.761) 2.296 2.009 ( -3.111 -0.000 -3.420) 4.623 2.092 ( 3.203 0.000 0.996) 3.354 2.227 ( -7.078 -0.000 2.562) 7.528 2.291 ( 0.314 0.000 0.264) 0.411 2.363 ( -0.197 -0.000 -0.007) 0.197 2.375 ( -0.566 -0.000 0.204) 0.601 2.395 ( 5.499 0.000 2.503) 6.042 2.401 ( 0.576 0.000 -0.898) 1.067 2.443 ( 6.850 0.000 -0.628) 6.879 2.682 ( 0.117 0.000 -0.631) 0.642 2.811 ( -1.397 -0.000 2.912) 3.230 2.868 ( 0.093 0.000 1.360) 1.363 2.941 ( -3.215 -0.000 2.604) 4.137 3.052 ( 0.037 0.000 -2.433) 2.433 3.151 ( -0.275 -0.000 7.402) 7.407 3.204 ( -2.736 -0.000 -0.645) 2.810 3.258 ( 2.776 0.000 0.287) 2.790 3.387 ( 1.397 0.000 -12.545) 12.622 3.679 ( -0.179 -0.000 -0.691) 0.714 3.699 ( -6.386 -0.000 0.603) 6.415 3.732 ( 0.103 0.000 0.411) 0.424 3.874 ( 4.904 0.000 -1.807) 5.227 4.001 ( -2.523 -0.000 0.705) 2.619 4.051 ( -0.837 -0.000 -0.368) 0.915 4.122 ( 0.284 0.000 0.728) 0.781 4.250 ( -0.521 -0.000 -0.118) 0.534 4.427 ( 1.351 0.000 3.242) 3.512 4.443 ( 0.032 0.000 -0.242) 0.244 4.687 ( -1.457 -0.000 -0.220) 1.474 5.159 ( -0.284 -0.000 -0.456) 0.538 5.429 ( 0.406 0.000 -0.221) 0.462 5.525 ( -0.626 -0.000 -0.432) 0.761 5.577 ( -0.911 -0.000 -2.160) 2.344 6.044 ( 10.019 0.000 16.108) 18.970 6.167 ( -9.415 -0.000 -15.575) 18.199 6.504 ( -0.228 -0.000 -0.385) 0.447 6.876 ( 0.885 0.000 0.611) 1.075 7.286 ( 1.573 0.000 1.481) 2.161 8.404 ( 0.161 0.000 0.106) 0.193 8.824 ( -0.143 -0.000 -0.308) 0.340 9.238 ( 0.092 0.000 0.117) 0.149 9.313 ( -2.114 -0.000 -1.258) 2.460 9.411 ( -0.051 -0.000 0.413) 0.416 9.495 ( -3.884 -0.000 -0.610) 3.932 10.204 ( 3.105 0.000 -0.287) 3.119 10.689 ( 1.898 0.000 -1.631) 2.502 11.777 ( -0.066 -0.000 -0.007) 0.066 11.866 ( -1.524 -0.000 -3.410) 3.735 12.233 ( -1.513 -0.000 -0.382) 1.560 12.566 ( 0.243 0.000 -0.440) 0.503 13.314 ( 0.928 0.000 1.760) 1.989 14.315 ( -0.029 -0.000 0.007) 0.030 14.886 ( -0.943 -0.000 -3.830) 3.944 15.665 ( -0.054 -0.000 -0.319) 0.324 15.833 ( 0.091 0.000 0.271) 0.286 17.071 ( -0.504 -0.000 0.145) 0.524 18.256 ( 0.026 0.000 -0.029) 0.039 18.379 ( -0.040 -0.000 0.017) 0.044 19.078 ( -0.980 -0.000 2.936) 3.096 19.332 ( -0.608 -0.000 3.111) 3.170 19.847 ( 0.448 0.000 -1.609) 1.670 20.354 ( -1.255 -0.000 -0.888) 1.537 21.682 ( -0.346 -0.000 0.156) 0.380 22.028 ( 1.263 0.000 2.701) 2.982 ======================= Grid point 217 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -2.811 -7.132 4.640) 8.961 0.742 ( -2.367 -18.123 2.127) 18.400 0.840 ( 0.601 -5.669 0.733) 5.748 1.010 ( 0.847 -15.313 -0.067) 15.336 1.114 ( -3.883 -0.017 -1.244) 4.078 1.166 ( -3.430 -3.829 -6.007) 7.906 1.316 ( 2.275 -1.916 0.260) 2.985 1.479 ( -2.615 -8.137 -0.300) 8.552 1.582 ( 2.117 -5.931 3.275) 7.098 1.667 ( 0.995 -2.551 -0.349) 2.760 1.752 ( 1.757 0.724 -1.856) 2.656 1.850 ( -1.928 -4.158 -1.543) 4.836 1.913 ( 2.201 1.981 -0.147) 2.965 1.942 ( 2.891 0.297 -0.420) 2.937 1.963 ( -2.653 -0.523 -0.010) 2.704 2.084 ( 2.472 2.474 -0.598) 3.548 2.155 ( -7.722 2.551 2.654) 8.554 2.291 ( 0.485 1.150 -0.814) 1.490 2.372 ( 1.533 1.069 -0.511) 1.937 2.434 ( 2.310 -3.208 -1.075) 4.097 2.462 ( 5.988 -1.877 -0.162) 6.277 2.527 ( 2.156 -7.279 0.075) 7.592 2.571 ( 0.983 -12.720 0.216) 12.759 2.658 ( -2.765 3.089 -0.896) 4.241 2.736 ( 4.840 2.417 2.552) 5.982 2.883 ( -0.579 -0.116 2.747) 2.810 2.964 ( -3.237 -3.447 0.887) 4.811 3.067 ( -3.311 -1.345 0.018) 3.573 3.167 ( -0.624 -1.519 4.125) 4.440 3.189 ( -2.202 0.158 1.583) 2.716 3.276 ( 1.512 -0.797 -5.075) 5.355 3.390 ( 1.006 -1.307 -6.320) 6.531 3.622 ( -1.567 5.340 -2.471) 6.089 3.646 ( -7.596 -0.072 1.875) 7.825 3.694 ( -1.272 3.704 -0.712) 3.980 3.880 ( 3.176 1.747 -1.644) 3.980 3.998 ( -2.842 -1.016 1.741) 3.484 4.098 ( -0.519 2.468 -0.843) 2.659 4.126 ( 0.545 -6.715 0.282) 6.743 4.218 ( 0.092 -0.158 1.024) 1.040 4.298 ( 1.746 11.025 0.807) 11.192 4.401 ( 0.238 3.307 1.743) 3.746 4.665 ( -0.848 0.781 -0.376) 1.213 5.265 ( -0.550 -3.253 0.379) 3.321 5.380 ( 2.100 2.036 -0.905) 3.061 5.615 ( -0.151 -6.423 0.668) 6.459 5.796 ( 0.605 -23.887 -2.773) 24.055 6.209 ( -1.972 -10.672 -4.248) 11.655 6.309 ( 2.674 -16.710 5.093) 17.673 6.520 ( 0.260 -2.127 0.499) 2.201 6.876 ( 0.341 0.087 -0.170) 0.391 7.399 ( 0.271 -9.585 -1.743) 9.746 8.510 ( -0.049 -10.346 -0.101) 10.346 8.858 ( 0.330 -2.789 0.462) 2.847 9.212 ( -0.305 0.930 0.337) 1.035 9.347 ( -0.605 -2.968 1.187) 3.254 9.369 ( -0.303 2.187 1.805) 2.852 9.516 ( -0.421 -1.571 3.493) 3.853 10.209 ( 3.683 1.505 -2.216) 4.554 10.709 ( 2.713 -0.688 -1.751) 3.301 11.615 ( -2.885 7.369 -2.537) 8.310 12.121 ( -5.376 -13.086 -2.701) 14.403 12.215 ( 3.919 -3.010 4.543) 6.713 12.513 ( -0.476 4.912 -0.862) 5.010 13.042 ( -6.306 23.779 -3.170) 24.804 14.311 ( 0.179 0.747 -0.020) 0.769 14.773 ( 0.967 8.175 0.185) 8.234 15.827 ( 2.079 -14.755 -1.118) 14.943 15.987 ( -0.458 -13.291 -0.320) 13.303 17.046 ( -0.575 2.135 0.446) 2.255 18.374 ( 1.554 -10.404 -1.229) 10.591 18.484 ( 0.220 -10.232 -0.444) 10.244 19.046 ( -2.401 2.181 1.674) 3.651 19.300 ( 1.707 3.888 4.630) 6.282 19.837 ( 0.677 1.138 -1.282) 1.843 20.280 ( -1.333 6.346 0.219) 6.489 21.663 ( -0.721 1.372 -0.045) 1.551 22.007 ( 3.120 3.972 3.277) 6.021 ======================= Grid point 218 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.571 -11.470 7.505) 13.719 0.935 ( -7.510 -2.689 4.894) 9.358 0.978 ( 0.459 -7.347 1.021) 7.432 1.162 ( -1.820 -9.366 -5.748) 11.139 1.197 ( -1.867 -7.202 -5.408) 9.198 1.361 ( 2.263 -9.790 -0.652) 10.069 1.388 ( 3.314 -3.697 0.169) 4.968 1.572 ( -1.973 -2.805 -0.066) 3.430 1.650 ( -0.022 2.044 -0.970) 2.263 1.742 ( 1.099 -2.156 -3.253) 4.054 1.825 ( 2.269 -5.563 0.279) 6.015 1.858 ( -1.389 0.105 1.172) 1.820 1.879 ( -1.360 1.814 -0.376) 2.299 1.907 ( 0.656 -0.535 0.154) 0.860 2.027 ( 1.849 4.246 -4.216) 6.263 2.064 ( -4.302 0.224 2.461) 4.961 2.103 ( -1.492 -7.526 3.710) 8.522 2.274 ( 2.105 1.217 -0.401) 2.464 2.356 ( 1.887 1.178 -3.489) 4.138 2.430 ( -1.352 2.388 -3.747) 4.645 2.487 ( 1.386 2.865 2.048) 3.785 2.583 ( 2.788 -2.712 1.100) 4.042 2.723 ( 5.249 1.785 2.757) 6.192 2.755 ( -0.486 -5.154 -0.686) 5.222 2.814 ( 0.665 -7.762 -0.424) 7.802 2.907 ( -0.036 -3.520 2.187) 4.144 3.014 ( -3.133 -2.178 -1.289) 4.028 3.090 ( 0.836 -3.393 2.805) 4.480 3.179 ( -1.982 -0.487 5.660) 6.017 3.217 ( -3.847 -3.650 -0.483) 5.324 3.261 ( -4.462 0.330 -4.789) 6.554 3.420 ( -1.761 -0.461 -3.713) 4.135 3.473 ( -1.856 3.288 -5.444) 6.625 3.610 ( 3.712 4.351 2.373) 6.192 3.624 ( -8.178 -2.743 1.957) 8.845 3.875 ( 2.585 0.992 -0.235) 2.779 3.984 ( -3.134 0.050 0.993) 3.288 4.025 ( -1.627 3.380 -3.003) 4.805 4.153 ( 5.774 5.077 2.447) 8.069 4.252 ( -1.492 -3.679 -1.623) 4.289 4.315 ( 2.723 -2.678 5.074) 6.350 4.345 ( 0.044 -2.869 -0.670) 2.947 4.618 ( -0.636 3.074 -0.890) 3.263 5.281 ( -1.072 -0.442 0.018) 1.160 5.374 ( 2.609 0.601 -1.125) 2.904 5.753 ( -0.149 -7.142 1.178) 7.240 6.336 ( 2.777 -20.021 -3.271) 20.476 6.435 ( 0.278 -12.926 -0.633) 12.944 6.609 ( -3.286 -15.731 -4.433) 16.671 6.752 ( 4.143 -18.944 5.493) 20.155 6.896 ( 1.001 -2.315 1.393) 2.881 7.603 ( -2.445 -11.089 -6.434) 13.052 8.790 ( 0.132 -16.850 0.598) 16.861 8.916 ( 1.451 -2.018 3.444) 4.247 9.234 ( -0.009 -2.952 0.581) 3.008 9.361 ( 0.935 -1.363 4.277) 4.585 9.410 ( -0.324 -3.321 1.800) 3.791 9.537 ( 1.247 -0.083 3.876) 4.073 10.193 ( 3.646 2.117 -3.570) 5.525 10.736 ( 2.696 0.090 -2.084) 3.408 11.441 ( -5.286 7.106 -4.240) 9.820 12.074 ( -2.119 8.395 4.298) 9.666 12.290 ( -11.502 20.278 4.483) 23.740 12.374 ( -1.378 8.388 -1.962) 8.724 12.684 ( 2.657 -12.263 -5.676) 13.772 14.279 ( 1.400 3.009 0.080) 3.319 14.650 ( 1.699 4.908 1.580) 5.428 16.199 ( 4.056 -18.748 -2.130) 19.300 16.275 ( -0.626 -15.014 0.244) 15.029 16.986 ( -0.615 3.371 0.524) 3.466 18.607 ( 1.377 -10.166 -1.835) 10.421 18.747 ( 1.876 -13.477 -2.196) 13.783 18.991 ( -2.912 0.207 0.344) 2.939 19.237 ( 3.757 4.114 4.368) 7.079 19.806 ( 1.303 2.657 -0.751) 3.053 20.098 ( -2.122 10.422 0.394) 10.643 21.627 ( -0.674 1.598 -0.144) 1.740 21.933 ( 2.906 5.662 3.188) 7.118 ======================= Grid point 219 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -2.991 -5.506 2.524) 6.756 1.028 ( -0.144 -8.509 5.122) 9.933 1.131 ( 1.245 -7.258 1.298) 7.477 1.205 ( -5.346 -4.787 -4.224) 8.327 1.380 ( 1.724 -4.456 -3.297) 5.805 1.424 ( 3.314 1.633 1.309) 3.920 1.500 ( 0.453 -2.960 -2.214) 3.724 1.586 ( -1.197 -0.664 -5.803) 5.963 1.622 ( 2.008 -0.066 3.708) 4.217 1.732 ( -0.581 2.696 -3.273) 4.280 1.764 ( -1.893 2.581 -1.619) 3.587 1.823 ( -2.147 2.857 0.592) 3.623 1.934 ( 0.287 -0.033 -0.795) 0.846 1.953 ( 2.946 0.575 0.087) 3.003 2.012 ( 0.197 -4.866 -2.321) 5.395 2.063 ( -2.681 -2.802 -0.953) 3.993 2.173 ( -0.575 1.444 2.437) 2.890 2.243 ( 1.120 2.886 -1.922) 3.644 2.332 ( 0.596 1.869 -0.571) 2.043 2.440 ( 2.740 -3.904 2.526) 5.397 2.485 ( -2.027 -1.960 -0.353) 2.842 2.621 ( -2.253 -0.161 -1.076) 2.501 2.698 ( 2.819 1.892 3.739) 5.050 2.815 ( 3.219 -1.530 1.338) 3.807 2.919 ( -0.066 -2.493 1.449) 2.884 2.944 ( -0.138 -0.244 -0.855) 0.900 3.046 ( -1.081 -1.397 -1.604) 2.386 3.118 ( -7.677 1.214 1.357) 7.890 3.169 ( 0.827 -1.383 0.714) 1.762 3.212 ( -0.743 -1.835 1.207) 2.319 3.310 ( -1.173 -3.799 -0.381) 3.994 3.427 ( -2.400 -3.215 -4.401) 5.955 3.452 ( -2.475 -0.463 -3.296) 4.148 3.571 ( 1.426 1.410 2.220) 2.992 3.672 ( -2.880 -5.159 1.293) 6.049 3.852 ( 0.191 2.211 -0.420) 2.259 3.953 ( -0.298 1.728 -3.530) 3.942 3.983 ( -0.085 0.316 4.961) 4.971 4.135 ( 3.217 1.786 0.844) 3.775 4.242 ( 0.587 0.837 -0.624) 1.198 4.350 ( 0.370 -1.127 0.903) 1.490 4.476 ( -0.498 -4.127 -0.155) 4.159 4.585 ( 0.762 -1.630 -0.124) 1.804 5.282 ( -0.616 -0.317 -0.723) 1.001 5.373 ( 2.166 1.306 -0.487) 2.575 5.878 ( -0.072 -4.904 1.061) 5.018 6.465 ( 1.383 -1.154 0.455) 1.858 6.701 ( -1.026 -9.732 -2.315) 10.056 6.945 ( 1.407 -6.435 2.127) 6.921 7.055 ( -1.095 -18.988 1.098) 19.052 7.172 ( 2.834 -19.480 -1.564) 19.748 7.751 ( -4.202 -6.675 -8.976) 11.949 8.980 ( 2.664 -2.622 6.943) 7.885 9.113 ( 0.104 -12.888 0.907) 12.920 9.292 ( -0.309 -2.327 0.339) 2.372 9.438 ( 3.844 -1.417 8.073) 9.053 9.471 ( -2.406 -5.406 -3.185) 6.720 9.614 ( 2.841 -6.993 5.364) 9.260 10.162 ( 2.093 2.524 -4.881) 5.880 10.717 ( 0.874 2.827 -3.378) 4.491 11.258 ( -5.001 6.639 -3.713) 9.104 11.568 ( -12.667 25.536 2.448) 28.610 12.062 ( 2.194 4.665 3.256) 6.097 12.214 ( -0.451 6.945 -1.144) 7.053 13.004 ( 1.574 -13.702 -1.479) 13.871 14.224 ( 2.215 3.438 0.236) 4.097 14.597 ( 0.619 1.787 1.060) 2.168 16.542 ( 0.055 -11.567 1.572) 11.673 16.559 ( 2.691 -14.359 -2.786) 14.872 16.916 ( -0.532 3.091 0.422) 3.165 18.693 ( -0.736 1.192 -1.446) 2.013 18.941 ( 0.648 -3.063 -0.270) 3.143 19.074 ( -1.462 -10.589 0.522) 10.702 19.273 ( 5.000 -5.712 -0.536) 7.610 19.734 ( 1.661 6.047 -0.324) 6.279 19.863 ( -2.557 10.982 0.081) 11.276 21.595 ( -0.431 1.123 -0.137) 1.211 21.850 ( 1.787 4.433 2.643) 5.461 ======================= Grid point 226 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -3.668 -0.000 3.816) 5.293 0.531 ( 1.914 0.000 15.372) 15.490 0.763 ( 0.329 0.000 -3.073) 3.091 0.798 ( 2.126 0.000 1.282) 2.482 1.070 ( -11.115 -0.000 -1.937) 11.282 1.111 ( -5.325 -0.000 -3.835) 6.562 1.257 ( -2.763 -0.000 -5.501) 6.156 1.421 ( 5.149 0.000 5.652) 7.646 1.524 ( 1.025 0.000 2.144) 2.376 1.645 ( 1.658 0.000 -1.406) 2.174 1.753 ( -1.227 -0.000 -0.426) 1.298 1.804 ( 2.006 0.000 -1.419) 2.457 1.918 ( -1.425 -0.000 0.413) 1.484 1.969 ( 0.932 0.000 1.551) 1.810 1.987 ( 2.984 0.000 -2.992) 4.226 2.125 ( -3.422 -0.000 3.425) 4.841 2.170 ( 2.798 0.000 -1.303) 3.086 2.296 ( 0.416 0.000 0.195) 0.459 2.351 ( -0.529 -0.000 -1.280) 1.385 2.363 ( 0.592 0.000 -0.085) 0.598 2.421 ( 1.825 0.000 0.642) 1.935 2.486 ( 4.873 0.000 0.041) 4.873 2.545 ( 8.046 0.000 -1.977) 8.285 2.667 ( -1.404 -0.000 -2.352) 2.739 2.805 ( -1.201 -0.000 4.736) 4.886 2.894 ( 2.417 0.000 2.993) 3.847 2.896 ( -3.884 -0.000 2.177) 4.452 3.010 ( -4.337 -0.000 -2.749) 5.135 3.157 ( -3.516 -0.000 -0.950) 3.642 3.158 ( -1.816 -0.000 1.303) 2.235 3.301 ( 2.999 0.000 0.331) 3.017 3.363 ( 0.361 0.000 -8.928) 8.936 3.583 ( -9.921 -0.000 1.108) 9.983 3.666 ( -2.523 -0.000 -1.816) 3.109 3.725 ( -0.979 -0.000 -0.895) 1.326 3.918 ( -0.793 -0.000 -4.088) 4.164 3.963 ( 0.670 0.000 1.404) 1.556 4.052 ( 0.592 0.000 2.293) 2.368 4.129 ( 0.224 0.000 1.127) 1.149 4.238 ( -1.225 -0.000 0.051) 1.226 4.433 ( -0.491 -0.000 -0.835) 0.968 4.468 ( 2.734 0.000 1.173) 2.975 4.694 ( 1.531 0.000 4.641) 4.887 5.156 ( -0.078 -0.000 0.312) 0.321 5.387 ( -5.029 -0.000 -4.243) 6.580 5.526 ( 0.520 0.000 1.723) 1.800 5.599 ( 3.434 0.000 3.832) 5.145 5.987 ( -9.336 -0.000 -16.528) 18.982 6.228 ( 9.350 0.000 15.444) 18.053 6.503 ( 0.166 0.000 0.339) 0.377 6.880 ( -0.021 -0.000 -1.800) 1.800 7.288 ( -0.867 -0.000 -3.353) 3.464 8.403 ( -0.207 -0.000 -0.530) 0.569 8.829 ( 0.657 0.000 0.800) 1.035 9.238 ( -0.023 -0.000 -0.174) 0.175 9.304 ( 0.201 0.000 4.395) 4.399 9.406 ( -0.689 -0.000 -0.277) 0.743 9.511 ( 4.106 0.000 12.761) 13.406 10.248 ( 4.227 0.000 -4.185) 5.949 10.723 ( 4.388 0.000 -1.955) 4.804 11.775 ( -8.841 -0.000 -6.033) 10.704 11.776 ( -0.042 -0.000 0.117) 0.124 12.260 ( 3.354 0.000 5.798) 6.698 12.558 ( -0.952 -0.000 -1.313) 1.622 13.238 ( -11.046 -0.000 -10.723) 15.395 14.314 ( -0.089 -0.000 -0.011) 0.090 14.890 ( 2.486 0.000 3.111) 3.983 15.668 ( 0.441 0.000 0.348) 0.562 15.831 ( -0.318 -0.000 -0.353) 0.475 17.064 ( -0.635 -0.000 0.782) 1.008 18.257 ( 0.101 0.000 0.013) 0.102 18.378 ( -0.130 -0.000 -0.014) 0.130 19.051 ( -3.752 -0.000 0.628) 3.804 19.372 ( 4.355 0.000 6.661) 7.959 19.848 ( 0.441 0.000 -1.471) 1.536 20.340 ( -1.174 -0.000 2.227) 2.517 21.671 ( -1.125 -0.000 -0.219) 1.146 22.092 ( 6.560 0.000 4.438) 7.920 ======================= Grid point 227 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 1.227 -8.011 12.813) 15.161 0.724 ( -1.737 -14.088 8.911) 16.760 0.853 ( 0.580 -5.784 0.881) 5.880 0.988 ( -6.753 -4.555 1.152) 8.227 1.037 ( -3.325 -10.209 -6.688) 12.650 1.092 ( -2.481 -8.608 -6.416) 11.019 1.321 ( -1.466 -7.108 -3.886) 8.232 1.481 ( 3.844 -2.139 2.017) 4.839 1.636 ( 2.783 -7.118 5.895) 9.652 1.675 ( 0.632 -2.535 -2.011) 3.297 1.770 ( 1.323 -0.154 -0.951) 1.637 1.825 ( -0.733 -1.844 -2.097) 2.887 1.912 ( -4.202 0.007 -0.067) 4.202 1.960 ( 3.457 0.956 0.506) 3.622 1.971 ( 0.425 0.982 0.385) 1.137 2.071 ( -2.836 2.609 2.555) 4.624 2.128 ( 3.022 4.305 -2.312) 5.746 2.293 ( 0.509 0.688 -1.610) 1.824 2.379 ( 0.263 -0.080 -0.952) 0.991 2.450 ( 0.710 -3.533 -2.729) 4.521 2.531 ( 3.695 -2.585 0.174) 4.512 2.567 ( 1.288 -2.854 0.628) 3.194 2.591 ( 3.498 -7.047 -0.712) 7.899 2.647 ( 1.954 -2.764 -0.300) 3.398 2.814 ( 4.702 0.196 2.633) 5.393 2.874 ( -1.481 0.121 1.284) 1.964 2.932 ( -1.616 -2.416 2.334) 3.728 3.006 ( -5.183 -3.219 -0.858) 6.161 3.137 ( -3.367 -0.692 -0.556) 3.482 3.166 ( -3.808 -1.981 0.119) 4.294 3.265 ( 0.310 3.053 -4.173) 5.180 3.391 ( 0.295 -1.764 -2.673) 3.216 3.520 ( -10.312 1.584 -1.077) 10.488 3.556 ( -5.804 4.039 -2.070) 7.368 3.703 ( 1.207 2.125 1.787) 3.027 3.895 ( -0.852 -0.123 -2.994) 3.115 3.983 ( 0.874 0.117 2.616) 2.760 4.075 ( -1.778 4.303 -1.964) 5.053 4.140 ( 0.947 -6.166 1.813) 6.496 4.233 ( 0.904 -1.793 2.626) 3.306 4.342 ( 3.923 9.071 2.394) 10.169 4.408 ( 0.127 3.525 -0.170) 3.531 4.658 ( -0.644 1.813 2.225) 2.941 5.267 ( 0.825 -1.045 0.945) 1.633 5.401 ( 1.706 -0.988 -2.865) 3.478 5.625 ( 0.752 -5.277 2.569) 5.917 5.786 ( -0.163 -25.685 -5.289) 26.225 6.119 ( -4.691 -17.294 -9.076) 20.086 6.415 ( 5.811 -8.139 9.563) 13.837 6.541 ( 2.275 -5.267 3.634) 6.791 6.876 ( -0.184 -0.378 -1.194) 1.266 7.365 ( -3.085 -8.561 -7.381) 11.717 8.508 ( -0.099 -10.578 -0.215) 10.581 8.874 ( 1.302 -3.312 2.008) 4.086 9.217 ( 0.487 0.830 1.772) 2.016 9.353 ( 0.397 -2.497 3.554) 4.362 9.385 ( 0.892 0.959 2.733) 3.031 9.574 ( 6.321 0.701 14.043) 15.416 10.253 ( 4.266 1.570 -5.584) 7.201 10.759 ( 5.804 -0.033 -1.866) 6.097 11.538 ( -6.255 7.762 -4.436) 10.911 12.051 ( -4.540 -13.855 0.342) 14.584 12.288 ( 3.589 -1.492 6.145) 7.271 12.495 ( -1.620 5.064 -1.925) 5.654 12.850 ( -18.313 22.157 -11.286) 30.882 14.314 ( 0.225 0.256 -0.032) 0.342 14.820 ( 5.179 8.556 5.435) 11.383 15.861 ( 3.468 -16.363 -2.322) 16.887 15.981 ( -0.313 -13.236 0.719) 13.259 17.039 ( -0.689 2.155 0.879) 2.427 18.397 ( 2.401 -11.038 -1.703) 11.424 18.486 ( 0.421 -11.238 -1.212) 11.311 19.000 ( -4.545 2.026 -0.057) 4.976 19.372 ( 6.065 4.429 6.334) 9.825 19.843 ( 0.709 0.720 -1.197) 1.567 20.265 ( -1.660 6.925 3.281) 7.841 21.650 ( -1.031 1.182 -0.251) 1.588 22.089 ( 6.762 5.709 4.689) 10.016 ======================= Grid point 228 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -6.718 -6.852 6.916) 11.828 0.859 ( 0.552 -8.438 12.173) 14.822 0.998 ( 1.427 -7.449 2.244) 7.910 1.066 ( -6.252 -4.356 -9.775) 12.394 1.196 ( 1.792 -12.884 -3.823) 13.558 1.363 ( 0.944 -10.840 -3.962) 11.580 1.449 ( 2.700 -4.436 1.359) 5.368 1.539 ( -0.927 -1.804 -2.692) 3.371 1.674 ( 2.103 3.354 2.174) 4.517 1.728 ( -1.108 -1.366 -5.303) 5.587 1.814 ( -2.190 1.774 0.089) 2.819 1.854 ( -0.989 0.888 -1.112) 1.733 1.869 ( -0.229 -5.342 2.648) 5.967 1.925 ( 2.078 1.338 -0.846) 2.612 2.007 ( -2.934 -0.074 2.226) 3.684 2.052 ( 1.997 2.128 -3.134) 4.283 2.105 ( -0.482 -5.731 3.728) 6.853 2.290 ( 0.473 0.052 -1.229) 1.318 2.362 ( 0.975 0.044 -1.828) 2.072 2.418 ( 0.663 2.308 -1.916) 3.072 2.523 ( 2.702 4.139 1.188) 5.084 2.622 ( 1.835 1.804 0.444) 2.612 2.731 ( -0.180 -2.332 -0.605) 2.416 2.786 ( 2.630 -6.496 -0.540) 7.029 2.844 ( 2.385 -1.500 0.137) 2.821 2.917 ( 0.456 -5.241 2.386) 5.777 2.969 ( -2.895 -1.628 -0.580) 3.372 3.071 ( -5.244 -4.089 0.069) 6.650 3.146 ( -1.937 -2.123 0.752) 2.971 3.180 ( -5.302 2.176 -3.909) 6.937 3.213 ( 1.025 -4.813 6.161) 7.885 3.360 ( -3.779 1.129 -5.486) 6.757 3.411 ( -5.708 -0.467 -3.606) 6.768 3.532 ( -4.395 -1.536 0.767) 4.718 3.676 ( 3.730 2.141 3.252) 5.392 3.897 ( 0.611 0.250 -2.306) 2.399 3.943 ( -2.196 2.603 0.210) 3.412 4.015 ( 0.323 0.684 0.941) 1.207 4.215 ( 0.810 2.182 -1.739) 2.906 4.264 ( 4.612 -0.012 4.116) 6.182 4.338 ( -0.433 -1.040 -0.196) 1.144 4.363 ( 2.184 -4.307 3.280) 5.838 4.605 ( -1.039 2.826 -0.561) 3.063 5.273 ( -0.111 -0.057 -0.052) 0.135 5.402 ( 2.238 0.530 -1.593) 2.797 5.760 ( 0.391 -6.889 2.030) 7.192 6.358 ( 2.554 -23.317 -6.158) 24.252 6.436 ( -0.283 -13.081 -0.832) 13.110 6.550 ( -2.977 -13.543 -3.865) 14.394 6.831 ( 4.623 -14.170 4.958) 15.708 6.919 ( 1.271 -5.451 3.221) 6.458 7.517 ( -5.572 -10.462 -11.719) 16.669 8.799 ( 0.612 -17.292 1.299) 17.351 8.962 ( 2.799 -3.187 5.921) 7.283 9.236 ( 0.082 -2.311 -0.194) 2.321 9.378 ( -0.286 -0.372 1.219) 1.307 9.444 ( 2.853 -4.639 7.865) 9.566 9.599 ( 5.353 2.316 10.408) 11.931 10.229 ( 3.428 2.760 -5.879) 7.344 10.777 ( 4.661 2.056 -2.988) 5.906 11.343 ( -5.812 6.954 -6.331) 11.055 11.957 ( -19.230 20.924 4.870) 28.833 12.192 ( -1.804 7.162 2.227) 7.714 12.356 ( -0.840 7.523 -1.301) 7.681 12.696 ( 1.692 -16.110 -4.666) 16.857 14.299 ( 1.372 1.979 0.108) 2.411 14.694 ( 3.552 7.056 3.449) 8.619 16.240 ( 2.113 -18.147 -4.753) 18.878 16.282 ( 2.195 -15.173 2.539) 15.540 16.979 ( -0.665 3.352 0.678) 3.484 18.618 ( 0.885 -8.972 -1.460) 9.133 18.771 ( 2.889 -12.945 -3.477) 13.712 18.942 ( -4.087 -1.138 -0.341) 4.256 19.320 ( 6.151 4.783 3.127) 8.396 19.823 ( 1.382 2.123 -0.760) 2.645 20.070 ( -2.322 11.122 2.490) 11.632 21.617 ( -0.637 1.384 -0.189) 1.535 21.993 ( 3.951 7.480 4.040) 9.375 ======================= Grid point 236 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -3.078 -0.000 7.539) 8.143 0.677 ( 8.651 0.000 24.107) 25.612 0.765 ( 1.338 0.000 -3.497) 3.744 0.827 ( 1.407 0.000 1.169) 1.829 0.864 ( -16.838 -0.000 2.325) 16.998 1.024 ( -4.738 -0.000 -7.869) 9.185 1.183 ( -4.594 -0.000 -8.412) 9.585 1.528 ( 6.868 0.000 5.319) 8.687 1.552 ( 1.695 0.000 2.767) 3.244 1.660 ( 0.940 0.000 -1.740) 1.977 1.731 ( -1.689 -0.000 -0.602) 1.793 1.820 ( 0.472 0.000 -1.682) 1.747 1.890 ( -1.939 -0.000 -0.452) 1.991 1.979 ( -0.943 -0.000 0.616) 1.126 2.032 ( 4.780 0.000 -1.183) 4.924 2.106 ( 1.154 0.000 1.384) 1.802 2.219 ( 2.877 0.000 -0.529) 2.925 2.304 ( 0.614 0.000 0.562) 0.832 2.366 ( 3.127 0.000 0.121) 3.129 2.381 ( 1.864 0.000 0.500) 1.930 2.443 ( 0.769 0.000 0.494) 0.915 2.520 ( 0.346 0.000 -1.165) 1.215 2.620 ( 3.691 0.000 -4.437) 5.771 2.638 ( -1.342 -0.000 -2.796) 3.101 2.798 ( -3.045 -0.000 5.378) 6.180 2.883 ( 2.104 0.000 2.616) 3.357 2.936 ( -4.158 -0.000 -2.735) 4.977 2.945 ( 3.367 0.000 3.181) 4.632 3.089 ( -6.790 -0.000 -8.131) 10.593 3.107 ( -3.275 -0.000 -0.610) 3.331 3.337 ( 2.155 0.000 0.279) 2.173 3.351 ( 0.127 0.000 -2.195) 2.199 3.448 ( -9.722 -0.000 0.640) 9.743 3.574 ( -9.604 -0.000 -3.765) 10.315 3.702 ( -1.640 -0.000 -1.791) 2.428 3.873 ( -1.904 -0.000 -0.149) 1.909 4.007 ( 3.047 0.000 -1.015) 3.211 4.077 ( 1.514 0.000 3.957) 4.237 4.141 ( 1.149 0.000 1.997) 2.304 4.221 ( -1.212 -0.000 0.270) 1.242 4.413 ( -1.890 -0.000 -2.940) 3.495 4.519 ( 4.799 0.000 0.317) 4.810 4.746 ( 2.339 0.000 6.224) 6.650 5.162 ( 0.515 0.000 1.596) 1.677 5.314 ( -2.153 -0.000 -0.087) 2.155 5.544 ( 0.815 0.000 2.431) 2.564 5.673 ( 4.636 0.000 6.543) 8.019 5.816 ( -8.242 -0.000 -15.690) 17.723 6.390 ( 7.821 0.000 13.816) 15.876 6.511 ( 0.607 0.000 0.894) 1.081 6.865 ( -0.843 -0.000 -3.872) 3.962 7.244 ( -3.245 -0.000 -6.446) 7.217 8.396 ( -0.387 -0.000 -0.887) 0.967 8.845 ( 1.056 0.000 1.519) 1.850 9.236 ( -0.124 -0.000 -0.389) 0.408 9.341 ( 2.034 0.000 7.925) 8.182 9.392 ( -1.026 -0.000 -0.789) 1.294 9.704 ( 16.514 0.000 23.490) 28.714 10.287 ( 3.715 0.000 -6.997) 7.922 10.812 ( 9.901 0.000 -0.666) 9.924 11.618 ( -10.654 -0.000 -4.970) 11.756 11.776 ( -0.004 -0.000 0.204) 0.204 12.328 ( 2.848 0.000 6.261) 6.878 12.530 ( -2.953 -0.000 -3.225) 4.372 12.929 ( -26.751 -0.000 -18.514) 32.533 14.313 ( -0.108 -0.000 -0.024) 0.111 15.008 ( 12.358 0.000 12.355) 17.475 15.678 ( 0.814 0.000 0.935) 1.239 15.822 ( -0.659 -0.000 -0.908) 1.122 17.058 ( -0.741 -0.000 1.097) 1.323 18.259 ( 0.131 0.000 0.043) 0.138 18.376 ( -0.160 -0.000 -0.036) 0.164 18.988 ( -5.073 -0.000 -0.377) 5.087 19.482 ( 8.292 0.000 5.583) 9.996 19.849 ( 0.292 0.000 -1.260) 1.294 20.337 ( -0.922 -0.000 6.380) 6.446 21.654 ( -1.117 -0.000 -0.309) 1.160 22.228 ( 10.889 0.000 4.993) 11.979 ======================= Grid point 237 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -6.011 -10.386 7.810) 14.317 0.764 ( -2.006 -3.527 14.348) 14.911 0.826 ( -2.087 -8.152 -0.099) 8.415 0.947 ( -3.654 -5.195 -10.708) 12.450 0.968 ( 3.807 -7.346 7.186) 10.959 1.083 ( 1.940 -16.435 -2.367) 16.717 1.277 ( -2.529 -10.418 -6.343) 12.456 1.546 ( 2.861 0.612 1.439) 3.260 1.677 ( 0.909 -1.381 -1.440) 2.192 1.685 ( 1.889 -7.619 4.656) 9.127 1.778 ( -0.107 -2.713 -0.357) 2.738 1.812 ( -0.298 0.935 -2.882) 3.044 1.846 ( -4.875 -0.615 -0.367) 4.927 1.952 ( -1.642 1.378 0.460) 2.192 2.021 ( 5.254 3.710 -1.394) 6.581 2.076 ( 0.607 3.254 3.150) 4.569 2.167 ( 3.488 4.582 -1.452) 5.939 2.290 ( -0.460 1.058 -1.375) 1.795 2.378 ( 0.139 1.630 -0.965) 1.899 2.447 ( 0.371 -1.373 -1.655) 2.182 2.552 ( 0.719 -8.463 0.904) 8.542 2.596 ( 1.974 -6.496 0.748) 6.831 2.624 ( 1.200 -0.497 -1.539) 2.013 2.697 ( 4.764 -5.987 -2.332) 7.999 2.838 ( -3.368 -0.369 -1.212) 3.598 2.868 ( 1.238 -0.872 2.785) 3.171 2.917 ( -4.982 -0.486 0.374) 5.020 2.954 ( 1.437 -1.174 -1.938) 2.683 3.080 ( -5.101 -1.739 -0.677) 5.432 3.104 ( -1.677 -3.615 -1.399) 4.223 3.259 ( -2.126 5.423 -0.135) 5.827 3.361 ( -3.996 -0.785 0.071) 4.073 3.389 ( -6.089 3.622 -3.272) 7.803 3.485 ( -3.608 -0.998 -0.265) 3.752 3.720 ( 0.460 -1.058 0.760) 1.382 3.862 ( -1.692 -0.485 -2.475) 3.037 4.016 ( 1.597 0.404 0.545) 1.735 4.053 ( -0.415 6.272 0.040) 6.286 4.162 ( 1.166 -5.476 3.349) 6.523 4.252 ( 0.637 -2.040 2.635) 3.392 4.385 ( -0.908 1.883 -0.396) 2.128 4.430 ( 5.585 8.144 1.003) 9.926 4.654 ( -1.569 3.301 3.526) 5.078 5.293 ( 1.919 1.676 1.734) 3.082 5.417 ( 2.569 -3.024 -3.389) 5.218 5.647 ( 1.200 -4.059 2.665) 5.002 5.758 ( -1.018 -27.121 -8.010) 28.298 6.053 ( -1.632 -19.286 -4.060) 19.776 6.489 ( 2.287 -0.883 3.281) 4.095 6.613 ( 4.858 -10.717 8.837) 14.716 6.865 ( -0.556 -1.498 -2.058) 2.606 7.281 ( -4.788 -6.918 -9.646) 12.799 8.507 ( 0.065 -11.205 -0.137) 11.206 8.900 ( 1.325 -4.155 2.227) 4.897 9.230 ( 0.640 0.381 1.274) 1.475 9.377 ( 0.949 -1.106 5.438) 5.630 9.396 ( 0.116 -1.143 0.617) 1.305 9.789 ( 16.256 6.811 21.278) 27.630 10.283 ( 2.803 1.431 -6.931) 7.612 10.867 ( 10.663 2.214 -0.652) 10.910 11.441 ( -4.862 7.045 -4.625) 9.730 11.985 ( -7.334 -10.080 2.498) 12.714 12.290 ( -11.572 5.918 -0.930) 13.031 12.447 ( -2.600 1.632 -5.232) 6.066 12.563 ( -11.664 9.324 -4.502) 15.597 14.316 ( 0.157 -0.228 -0.023) 0.278 14.947 ( 9.572 12.962 8.857) 18.387 15.892 ( 1.721 -16.157 -3.984) 16.730 15.999 ( 3.032 -15.005 2.160) 15.460 17.032 ( -0.762 2.170 0.908) 2.473 18.425 ( 2.301 -10.685 -1.478) 11.030 18.489 ( 0.765 -13.469 -2.588) 13.737 18.932 ( -4.909 1.880 -0.280) 5.264 19.486 ( 7.481 5.515 3.079) 9.792 19.848 ( 0.478 0.267 -1.098) 1.226 20.263 ( -0.377 7.899 6.395) 10.170 21.636 ( -0.777 0.972 -0.239) 1.267 22.208 ( 7.893 8.883 4.843) 12.833 ======================= Grid point 246 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -1.223 -0.000 9.611) 9.688 0.638 ( -14.908 -0.000 8.578) 17.199 0.779 ( 1.997 0.000 -2.392) 3.116 0.842 ( 0.303 0.000 0.773) 0.830 0.867 ( 3.826 0.000 -0.072) 3.827 0.989 ( 6.025 0.000 12.758) 14.109 1.092 ( -4.337 -0.000 -9.661) 10.590 1.586 ( 2.043 0.000 2.701) 3.387 1.586 ( -1.505 -0.000 -1.025) 1.821 1.680 ( 3.270 0.000 1.454) 3.578 1.705 ( -1.763 -0.000 -1.091) 2.073 1.801 ( -1.827 -0.000 -2.643) 3.213 1.862 ( -1.913 -0.000 -2.277) 2.974 1.967 ( -0.403 -0.000 0.855) 0.945 2.109 ( 6.530 0.000 -2.665) 7.052 2.138 ( 1.226 0.000 2.482) 2.768 2.253 ( 3.423 0.000 0.118) 3.425 2.318 ( 1.028 0.000 1.240) 1.611 2.409 ( 1.210 0.000 1.701) 2.087 2.411 ( 1.884 0.000 -0.242) 1.900 2.439 ( -1.068 -0.000 0.461) 1.163 2.500 ( -2.355 -0.000 -0.513) 2.411 2.619 ( -0.271 -0.000 -2.376) 2.392 2.622 ( -0.408 -0.000 -4.895) 4.912 2.766 ( -2.678 -0.000 2.974) 4.002 2.850 ( -3.641 -0.000 -2.196) 4.251 2.938 ( -9.549 -0.000 -9.714) 13.622 2.987 ( 0.925 0.000 1.455) 1.724 3.000 ( 8.912 0.000 2.374) 9.223 3.078 ( -0.404 -0.000 1.168) 1.236 3.322 ( -7.530 -0.000 1.308) 7.643 3.345 ( -2.534 -0.000 -2.131) 3.311 3.359 ( 0.923 0.000 0.205) 0.945 3.440 ( -6.336 -0.000 -0.715) 6.376 3.673 ( -1.553 -0.000 -1.966) 2.505 3.867 ( 0.185 0.000 1.474) 1.486 4.025 ( 0.465 0.000 -1.811) 1.870 4.112 ( 1.533 0.000 4.102) 4.380 4.169 ( 1.620 0.000 1.994) 2.569 4.209 ( -0.511 -0.000 0.271) 0.579 4.367 ( -2.867 -0.000 -3.725) 4.700 4.600 ( 6.665 0.000 0.381) 6.676 4.746 ( -4.883 -0.000 3.526) 6.023 5.184 ( 1.639 0.000 3.607) 3.962 5.374 ( 8.834 0.000 2.108) 9.082 5.544 ( -2.057 -0.000 -2.976) 3.618 5.685 ( -4.175 -0.000 -8.821) 9.759 5.759 ( 4.829 0.000 7.621) 9.022 6.523 ( 5.850 0.000 11.628) 13.016 6.523 ( 0.667 0.000 1.091) 1.279 6.835 ( -1.603 -0.000 -5.371) 5.605 7.171 ( -3.978 -0.000 -6.725) 7.814 8.389 ( -0.337 -0.000 -0.832) 0.898 8.864 ( 0.922 0.000 1.563) 1.815 9.233 ( -0.171 -0.000 -0.437) 0.469 9.376 ( -0.898 -0.000 -0.885) 1.260 9.398 ( 2.427 0.000 8.164) 8.517 10.070 ( 23.839 0.000 16.481) 28.982 10.308 ( 3.199 0.000 -4.992) 5.929 10.988 ( 14.211 0.000 2.197) 14.380 11.493 ( -3.388 -0.000 -3.583) 4.931 11.777 ( 0.030 0.000 0.215) 0.217 12.201 ( -34.056 -0.000 -10.644) 35.681 12.444 ( -0.594 -0.000 -1.140) 1.286 12.612 ( -7.233 -0.000 -0.498) 7.251 14.311 ( -0.076 -0.000 -0.026) 0.081 15.286 ( 20.475 0.000 11.835) 23.649 15.694 ( 0.936 0.000 1.258) 1.568 15.809 ( -0.820 -0.000 -1.226) 1.475 17.050 ( -0.802 -0.000 0.933) 1.230 18.260 ( 0.100 0.000 0.046) 0.110 18.374 ( -0.115 -0.000 -0.039) 0.121 18.922 ( -4.022 -0.000 -0.293) 4.033 19.601 ( 6.370 0.000 0.300) 6.377 19.849 ( 0.137 0.000 -1.134) 1.142 20.368 ( 2.721 0.000 7.712) 8.178 21.641 ( -0.665 -0.000 -0.237) 0.706 22.393 ( 10.036 0.000 2.510) 10.345 =================== 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 3/31590 10.0 30.400 32.269 31.979 0.000 15.688 0.000 3/31590 20.0 7.340 9.508 8.533 0.000 3.797 0.000 3/31590 30.0 3.401 4.804 4.081 0.000 1.708 0.000 3/31590 40.0 2.127 3.139 2.570 0.000 1.033 0.000 3/31590 50.0 1.547 2.345 1.868 0.000 0.731 0.000 3/31590 60.0 1.223 1.896 1.473 0.000 0.567 0.000 3/31590 70.0 1.017 1.609 1.224 0.000 0.465 0.000 3/31590 80.0 0.875 1.411 1.052 0.000 0.397 0.000 3/31590 90.0 0.770 1.265 0.926 0.000 0.347 0.000 3/31590 100.0 0.690 1.151 0.830 0.000 0.310 0.000 3/31590 110.0 0.627 1.060 0.754 0.000 0.281 0.000 3/31590 120.0 0.576 0.984 0.692 0.000 0.257 0.000 3/31590 130.0 0.533 0.921 0.640 0.000 0.237 0.000 3/31590 140.0 0.496 0.866 0.596 0.000 0.220 0.000 3/31590 150.0 0.465 0.819 0.558 0.000 0.206 0.000 3/31590 160.0 0.438 0.777 0.525 0.000 0.193 0.000 3/31590 170.0 0.414 0.740 0.496 0.000 0.182 0.000 3/31590 180.0 0.392 0.706 0.470 0.000 0.172 0.000 3/31590 190.0 0.373 0.676 0.447 0.000 0.164 0.000 3/31590 200.0 0.356 0.649 0.426 0.000 0.156 0.000 3/31590 210.0 0.341 0.623 0.407 0.000 0.148 0.000 3/31590 220.0 0.326 0.600 0.390 0.000 0.142 0.000 3/31590 230.0 0.313 0.579 0.374 0.000 0.136 0.000 3/31590 240.0 0.301 0.559 0.360 0.000 0.130 0.000 3/31590 250.0 0.290 0.540 0.346 0.000 0.125 0.000 3/31590 260.0 0.280 0.523 0.334 0.000 0.121 0.000 3/31590 270.0 0.270 0.507 0.322 0.000 0.116 0.000 3/31590 280.0 0.261 0.492 0.311 0.000 0.112 0.000 3/31590 290.0 0.253 0.477 0.301 0.000 0.108 0.000 3/31590 300.0 0.245 0.464 0.292 0.000 0.105 0.000 3/31590 310.0 0.237 0.451 0.283 0.000 0.101 0.000 3/31590 320.0 0.231 0.439 0.274 0.000 0.098 0.000 3/31590 330.0 0.224 0.427 0.267 0.000 0.095 0.000 3/31590 340.0 0.218 0.416 0.259 0.000 0.093 0.000 3/31590 350.0 0.212 0.406 0.252 0.000 0.090 0.000 3/31590 360.0 0.206 0.396 0.245 0.000 0.088 0.000 3/31590 370.0 0.201 0.387 0.239 0.000 0.085 0.000 3/31590 380.0 0.196 0.378 0.233 0.000 0.083 0.000 3/31590 390.0 0.191 0.369 0.227 0.000 0.081 0.000 3/31590 400.0 0.187 0.361 0.222 0.000 0.079 0.000 3/31590 410.0 0.183 0.353 0.217 0.000 0.077 0.000 3/31590 420.0 0.178 0.345 0.212 0.000 0.075 0.000 3/31590 430.0 0.174 0.338 0.207 0.000 0.074 0.000 3/31590 440.0 0.171 0.331 0.203 0.000 0.072 0.000 3/31590 450.0 0.167 0.325 0.198 0.000 0.070 0.000 3/31590 460.0 0.164 0.318 0.194 0.000 0.069 0.000 3/31590 470.0 0.160 0.312 0.190 0.000 0.067 0.000 3/31590 480.0 0.157 0.306 0.186 0.000 0.066 0.000 3/31590 490.0 0.154 0.300 0.183 0.000 0.065 0.000 3/31590 500.0 0.151 0.295 0.179 0.000 0.063 0.000 3/31590 510.0 0.148 0.289 0.176 0.000 0.062 0.000 3/31590 520.0 0.145 0.284 0.172 0.000 0.061 0.000 3/31590 530.0 0.143 0.279 0.169 0.000 0.060 0.000 3/31590 540.0 0.140 0.274 0.166 0.000 0.059 0.000 3/31590 550.0 0.138 0.270 0.163 0.000 0.058 0.000 3/31590 560.0 0.135 0.265 0.160 0.000 0.057 0.000 3/31590 570.0 0.133 0.261 0.158 0.000 0.056 0.000 3/31590 580.0 0.131 0.257 0.155 0.000 0.055 0.000 3/31590 590.0 0.129 0.253 0.152 0.000 0.054 0.000 3/31590 600.0 0.127 0.249 0.150 0.000 0.053 0.000 3/31590 610.0 0.125 0.245 0.148 0.000 0.052 0.000 3/31590 620.0 0.123 0.241 0.145 0.000 0.051 0.000 3/31590 630.0 0.121 0.237 0.143 0.000 0.050 0.000 3/31590 640.0 0.119 0.234 0.141 0.000 0.050 0.000 3/31590 650.0 0.117 0.231 0.139 0.000 0.049 0.000 3/31590 660.0 0.115 0.227 0.137 0.000 0.048 0.000 3/31590 670.0 0.114 0.224 0.135 0.000 0.047 0.000 3/31590 680.0 0.112 0.221 0.133 0.000 0.047 0.000 3/31590 690.0 0.110 0.218 0.131 0.000 0.046 0.000 3/31590 700.0 0.109 0.215 0.129 0.000 0.045 0.000 3/31590 710.0 0.107 0.212 0.127 0.000 0.045 0.000 3/31590 720.0 0.106 0.209 0.125 0.000 0.044 0.000 3/31590 730.0 0.105 0.206 0.124 0.000 0.043 0.000 3/31590 740.0 0.103 0.204 0.122 0.000 0.043 0.000 3/31590 750.0 0.102 0.201 0.121 0.000 0.042 0.000 3/31590 760.0 0.100 0.199 0.119 0.000 0.042 0.000 3/31590 770.0 0.099 0.196 0.117 0.000 0.041 0.000 3/31590 780.0 0.098 0.194 0.116 0.000 0.041 0.000 3/31590 790.0 0.097 0.191 0.115 0.000 0.040 0.000 3/31590 800.0 0.096 0.189 0.113 0.000 0.040 0.000 3/31590 810.0 0.094 0.187 0.112 0.000 0.039 0.000 3/31590 820.0 0.093 0.185 0.110 0.000 0.039 0.000 3/31590 830.0 0.092 0.182 0.109 0.000 0.038 0.000 3/31590 840.0 0.091 0.180 0.108 0.000 0.038 0.000 3/31590 850.0 0.090 0.178 0.107 0.000 0.037 0.000 3/31590 860.0 0.089 0.176 0.105 0.000 0.037 0.000 3/31590 870.0 0.088 0.174 0.104 0.000 0.036 0.000 3/31590 880.0 0.087 0.172 0.103 0.000 0.036 0.000 3/31590 890.0 0.086 0.170 0.102 0.000 0.036 0.000 3/31590 900.0 0.085 0.169 0.101 0.000 0.035 0.000 3/31590 910.0 0.084 0.167 0.100 0.000 0.035 0.000 3/31590 920.0 0.083 0.165 0.099 0.000 0.035 0.000 3/31590 930.0 0.082 0.163 0.097 0.000 0.034 0.000 3/31590 940.0 0.082 0.162 0.096 0.000 0.034 0.000 3/31590 950.0 0.081 0.160 0.095 0.000 0.033 0.000 3/31590 960.0 0.080 0.158 0.094 0.000 0.033 0.000 3/31590 970.0 0.079 0.157 0.094 0.000 0.033 0.000 3/31590 980.0 0.078 0.155 0.093 0.000 0.032 0.000 3/31590 990.0 0.077 0.154 0.092 0.000 0.032 0.000 3/31590 1000.0 0.077 0.152 0.091 0.000 0.032 0.000 3/31590 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:42:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|